USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 907 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 55 TYR OH : rot 180:sc= 0.0474 USER MOD Set 1.2: A 59 CYS SG : rot 135:sc= -0.222 USER MOD Set 2.1: A 46 SER OG : rot 52:sc= 0.667 USER MOD Set 2.2: A 98 GLN : amide:sc= 0.72 K(o=1.4,f=0.22) USER MOD Single : A 8 GLN : amide:sc= 0.51 K(o=0.51,f=-0.26) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -123:sc= 2.62 (180deg=-0.487) USER MOD Single : A 14 ASN : amide:sc= -0.361 K(o=-0.36,f=-6.1!) USER MOD Single : A 15 TYR OH : rot 70:sc= -0.341 USER MOD Single : A 18 GLN : amide:sc= -2.42! K(o=-2.4!,f=-0.25) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.85 K(o=-0.85,f=-0.15) USER MOD Single : A 28 SER OG : rot 168:sc= 0.193 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.0143 (180deg=-0.169) USER MOD Single : A 34 ASN : amide:sc= 0.144 K(o=0.14,f=-5.1!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -73:sc= 0.413 USER MOD Single : A 47 LYS NZ :NH3+ 146:sc= -2.59! (180deg=-4.79!) USER MOD Single : A 60 LYS NZ :NH3+ -142:sc= -1.01! (180deg=-4.24!) USER MOD Single : A 69 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.2) USER MOD Single : A 72 ASN : amide:sc= -1.42 K(o=-1.4,f=-7.6!) USER MOD Single : A 73 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -147:sc= -2.42! (180deg=-4.7!) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 81 SER OG : rot 75:sc= 0.741 USER MOD Single : A 85 SER OG : rot 78:sc= 0.445 USER MOD Single : A 86 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-0.26) USER MOD Single : A 87 TYR OH : rot 81:sc= -1.02 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 94 TYR OH : rot -115:sc= -0.846 USER MOD Single : A 96 MET CE :methyl -121:sc= 0 (180deg=-2.7!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 13:sc= 1.05 USER MOD Single : A 102 ASN : amide:sc= -1.06 K(o=-1.1,f=-4.5!) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -2.1 K(o=-2.1,f=-5!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 45 N GLU A 4 9.608 11.376 -2.380 1.00 0.00 N ATOM 46 CA GLU A 4 10.215 10.112 -1.934 1.00 0.00 C ATOM 47 C GLU A 4 10.031 9.017 -2.991 1.00 0.00 C ATOM 48 O GLU A 4 10.929 8.205 -3.233 1.00 0.00 O ATOM 49 CB GLU A 4 9.630 9.671 -0.584 1.00 0.00 C ATOM 50 CG GLU A 4 10.173 8.333 -0.073 1.00 0.00 C ATOM 51 CD GLU A 4 11.697 8.261 -0.072 1.00 0.00 C ATOM 52 OE1 GLU A 4 12.335 9.044 0.663 1.00 0.00 O ATOM 53 OE2 GLU A 4 12.261 7.425 -0.816 1.00 0.00 O ATOM 0 HA GLU A 4 11.284 10.279 -1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.837 10.442 0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.546 9.600 -0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.808 8.163 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.779 7.528 -0.693 1.00 0.00 H new ATOM 60 N LEU A 5 8.872 9.014 -3.636 1.00 0.00 N ATOM 61 CA LEU A 5 8.589 8.067 -4.712 1.00 0.00 C ATOM 62 C LEU A 5 9.360 8.492 -5.975 1.00 0.00 C ATOM 63 O LEU A 5 9.447 7.749 -6.948 1.00 0.00 O ATOM 64 CB LEU A 5 7.066 8.009 -4.973 1.00 0.00 C ATOM 65 CG LEU A 5 6.483 6.632 -5.367 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.003 6.162 -6.723 1.00 0.00 C ATOM 67 CD2 LEU A 5 6.778 5.587 -4.290 1.00 0.00 C ATOM 0 H LEU A 5 8.108 9.659 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 5 8.917 7.067 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.553 8.352 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.829 8.719 -5.766 1.00 0.00 H new ATOM 0 HG LEU A 5 5.403 6.751 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.569 5.191 -6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.723 6.884 -7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.089 6.075 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.358 4.627 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.856 5.488 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.330 5.900 -3.347 1.00 0.00 H new ATOM 79 N GLU A 6 9.902 9.710 -5.949 1.00 0.00 N ATOM 80 CA GLU A 6 10.753 10.214 -7.033 1.00 0.00 C ATOM 81 C GLU A 6 12.236 10.222 -6.625 1.00 0.00 C ATOM 82 O GLU A 6 13.123 10.365 -7.473 1.00 0.00 O ATOM 83 CB GLU A 6 10.321 11.638 -7.407 1.00 0.00 C ATOM 84 CG GLU A 6 8.848 11.764 -7.777 1.00 0.00 C ATOM 85 CD GLU A 6 8.454 13.193 -8.102 1.00 0.00 C ATOM 86 OE1 GLU A 6 8.084 13.943 -7.169 1.00 0.00 O ATOM 87 OE2 GLU A 6 8.529 13.580 -9.288 1.00 0.00 O ATOM 0 H GLU A 6 9.767 10.371 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 6 10.637 9.550 -7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.532 12.302 -6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.926 11.981 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.636 11.127 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.236 11.400 -6.952 1.00 0.00 H new ATOM 94 N ALA A 7 12.488 10.069 -5.325 1.00 0.00 N ATOM 95 CA ALA A 7 13.821 10.264 -4.747 1.00 0.00 C ATOM 96 C ALA A 7 14.827 9.214 -5.209 1.00 0.00 C ATOM 97 O ALA A 7 15.734 9.518 -5.989 1.00 0.00 O ATOM 98 CB ALA A 7 13.735 10.268 -3.224 1.00 0.00 C ATOM 0 H ALA A 7 11.777 9.807 -4.643 1.00 0.00 H new ATOM 0 HA ALA A 7 14.182 11.229 -5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 7 14.730 10.413 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.082 11.078 -2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.331 9.316 -2.880 1.00 0.00 H new ATOM 104 N GLN A 8 14.675 7.986 -4.715 1.00 0.00 N ATOM 105 CA GLN A 8 15.655 6.934 -4.980 1.00 0.00 C ATOM 106 C GLN A 8 15.723 6.658 -6.485 1.00 0.00 C ATOM 107 O GLN A 8 14.693 6.621 -7.164 1.00 0.00 O ATOM 108 CB GLN A 8 15.293 5.655 -4.206 1.00 0.00 C ATOM 109 CG GLN A 8 14.795 5.902 -2.782 1.00 0.00 C ATOM 110 CD GLN A 8 15.792 6.641 -1.903 1.00 0.00 C ATOM 111 OE1 GLN A 8 17.007 6.510 -2.071 1.00 0.00 O ATOM 112 NE2 GLN A 8 15.283 7.420 -0.959 1.00 0.00 N ATOM 0 H GLN A 8 13.889 7.696 -4.133 1.00 0.00 H new ATOM 0 HA GLN A 8 16.636 7.267 -4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.524 5.115 -4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.170 5.009 -4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.869 6.475 -2.825 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.557 4.944 -2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.272 7.500 -0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.903 7.939 -0.337 1.00 0.00 H new ATOM 121 N THR A 9 16.925 6.420 -6.994 1.00 0.00 N ATOM 122 CA THR A 9 17.153 6.426 -8.433 1.00 0.00 C ATOM 123 C THR A 9 17.032 5.033 -9.053 1.00 0.00 C ATOM 124 O THR A 9 17.528 4.048 -8.507 1.00 0.00 O ATOM 125 CB THR A 9 18.536 7.033 -8.758 1.00 0.00 C ATOM 126 OG1 THR A 9 18.668 8.298 -8.096 1.00 0.00 O ATOM 127 CG2 THR A 9 18.726 7.224 -10.261 1.00 0.00 C ATOM 0 H THR A 9 17.754 6.221 -6.434 1.00 0.00 H new ATOM 0 HA THR A 9 16.371 7.045 -8.874 1.00 0.00 H new ATOM 0 HB THR A 9 19.301 6.341 -8.406 1.00 0.00 H new ATOM 0 HG1 THR A 9 19.546 8.684 -8.300 1.00 0.00 H new ATOM 0 HG21 THR A 9 19.710 7.653 -10.452 1.00 0.00 H new ATOM 0 HG22 THR A 9 18.647 6.260 -10.763 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.957 7.896 -10.642 1.00 0.00 H new ATOM 135 N ARG A 10 16.323 4.983 -10.187 1.00 0.00 N ATOM 136 CA ARG A 10 16.137 3.769 -10.996 1.00 0.00 C ATOM 137 C ARG A 10 15.411 2.657 -10.234 1.00 0.00 C ATOM 138 O ARG A 10 15.243 1.553 -10.752 1.00 0.00 O ATOM 139 CB ARG A 10 17.494 3.254 -11.502 1.00 0.00 C ATOM 140 CG ARG A 10 18.230 4.250 -12.392 1.00 0.00 C ATOM 141 CD ARG A 10 19.647 3.794 -12.709 1.00 0.00 C ATOM 142 NE ARG A 10 20.362 4.782 -13.521 1.00 0.00 N ATOM 143 CZ ARG A 10 21.689 4.909 -13.561 1.00 0.00 C ATOM 144 NH1 ARG A 10 22.463 4.132 -12.811 1.00 0.00 N ATOM 145 NH2 ARG A 10 22.245 5.825 -14.342 1.00 0.00 N ATOM 0 H ARG A 10 15.853 5.800 -10.577 1.00 0.00 H new ATOM 0 HA ARG A 10 15.507 4.046 -11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.123 3.010 -10.646 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.338 2.329 -12.057 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.676 4.384 -13.321 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.264 5.221 -11.898 1.00 0.00 H new ATOM 0 HD2 ARG A 10 20.191 3.623 -11.780 1.00 0.00 H new ATOM 0 HD3 ARG A 10 19.614 2.842 -13.239 1.00 0.00 H new ATOM 0 HE ARG A 10 19.807 5.416 -14.095 1.00 0.00 H new ATOM 0 HH11 ARG A 10 22.043 3.432 -12.199 1.00 0.00 H new ATOM 0 HH12 ARG A 10 23.477 4.235 -12.847 1.00 0.00 H new ATOM 0 HH21 ARG A 10 21.658 6.433 -14.913 1.00 0.00 H new ATOM 0 HH22 ARG A 10 23.260 5.922 -14.372 1.00 0.00 H new ATOM 159 N VAL A 11 14.976 2.950 -9.016 1.00 0.00 N ATOM 160 CA VAL A 11 14.114 2.044 -8.269 1.00 0.00 C ATOM 161 C VAL A 11 12.731 2.665 -8.099 1.00 0.00 C ATOM 162 O VAL A 11 11.714 2.040 -8.402 1.00 0.00 O ATOM 163 CB VAL A 11 14.726 1.651 -6.896 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.057 2.880 -6.058 1.00 0.00 C ATOM 165 CG2 VAL A 11 13.796 0.706 -6.136 1.00 0.00 C ATOM 0 H VAL A 11 15.207 3.812 -8.522 1.00 0.00 H new ATOM 0 HA VAL A 11 14.020 1.122 -8.842 1.00 0.00 H new ATOM 0 HB VAL A 11 15.661 1.126 -7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.483 2.567 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.777 3.500 -6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.148 3.453 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.246 0.445 -5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.838 1.198 -5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 11 13.639 -0.200 -6.722 1.00 0.00 H new ATOM 175 N LYS A 12 12.702 3.922 -7.650 1.00 0.00 N ATOM 176 CA LYS A 12 11.442 4.619 -7.423 1.00 0.00 C ATOM 177 C LYS A 12 10.862 5.102 -8.749 1.00 0.00 C ATOM 178 O LYS A 12 9.652 5.086 -8.947 1.00 0.00 O ATOM 179 CB LYS A 12 11.639 5.806 -6.467 1.00 0.00 C ATOM 180 CG LYS A 12 11.890 5.420 -5.010 1.00 0.00 C ATOM 181 CD LYS A 12 10.706 4.672 -4.398 1.00 0.00 C ATOM 182 CE LYS A 12 10.884 4.449 -2.899 1.00 0.00 C ATOM 183 NZ LYS A 12 10.723 5.709 -2.119 1.00 0.00 N ATOM 0 H LYS A 12 13.534 4.472 -7.438 1.00 0.00 H new ATOM 0 HA LYS A 12 10.742 3.921 -6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.480 6.403 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.755 6.442 -6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.782 4.796 -4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.090 6.319 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.790 5.236 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.588 3.710 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.156 3.715 -2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.873 4.031 -2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.582 5.882 -1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.569 6.504 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.906 5.621 -1.482 1.00 0.00 H new ATOM 197 N LEU A 13 11.748 5.505 -9.659 1.00 0.00 N ATOM 198 CA LEU A 13 11.345 6.034 -10.964 1.00 0.00 C ATOM 199 C LEU A 13 10.543 4.998 -11.757 1.00 0.00 C ATOM 200 O LEU A 13 9.420 5.264 -12.195 1.00 0.00 O ATOM 201 CB LEU A 13 12.585 6.462 -11.764 1.00 0.00 C ATOM 202 CG LEU A 13 13.494 7.492 -11.069 1.00 0.00 C ATOM 203 CD1 LEU A 13 14.714 7.805 -11.933 1.00 0.00 C ATOM 204 CD2 LEU A 13 12.719 8.768 -10.740 1.00 0.00 C ATOM 0 H LEU A 13 12.757 5.475 -9.516 1.00 0.00 H new ATOM 0 HA LEU A 13 10.707 6.901 -10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.176 5.574 -11.989 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.257 6.877 -12.717 1.00 0.00 H new ATOM 0 HG LEU A 13 13.843 7.059 -10.132 1.00 0.00 H new ATOM 0 HD11 LEU A 13 15.343 8.535 -11.423 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.283 6.891 -12.103 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.387 8.213 -12.890 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.382 9.480 -10.250 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.332 9.206 -11.660 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.889 8.528 -10.075 1.00 0.00 H new ATOM 216 N ASN A 14 11.125 3.812 -11.925 1.00 0.00 N ATOM 217 CA ASN A 14 10.490 2.738 -12.690 1.00 0.00 C ATOM 218 C ASN A 14 9.167 2.350 -12.033 1.00 0.00 C ATOM 219 O ASN A 14 8.135 2.193 -12.702 1.00 0.00 O ATOM 220 CB ASN A 14 11.417 1.511 -12.775 1.00 0.00 C ATOM 221 CG ASN A 14 12.821 1.849 -13.262 1.00 0.00 C ATOM 222 OD1 ASN A 14 13.342 2.937 -13.004 1.00 0.00 O ATOM 223 ND2 ASN A 14 13.444 0.920 -13.970 1.00 0.00 N ATOM 0 H ASN A 14 12.038 3.569 -11.541 1.00 0.00 H new ATOM 0 HA ASN A 14 10.299 3.095 -13.702 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.483 1.046 -11.792 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.974 0.776 -13.447 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.386 1.093 -14.321 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.982 0.031 -14.164 1.00 0.00 H new ATOM 230 N TYR A 15 9.209 2.223 -10.709 1.00 0.00 N ATOM 231 CA TYR A 15 8.030 1.891 -9.922 1.00 0.00 C ATOM 232 C TYR A 15 6.958 2.963 -10.094 1.00 0.00 C ATOM 233 O TYR A 15 5.772 2.653 -10.186 1.00 0.00 O ATOM 234 CB TYR A 15 8.411 1.744 -8.445 1.00 0.00 C ATOM 235 CG TYR A 15 7.246 1.398 -7.531 1.00 0.00 C ATOM 236 CD1 TYR A 15 6.789 0.088 -7.419 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.608 2.380 -6.779 1.00 0.00 C ATOM 238 CE1 TYR A 15 5.733 -0.231 -6.586 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.551 2.068 -5.946 1.00 0.00 C ATOM 240 CZ TYR A 15 5.118 0.763 -5.854 1.00 0.00 C ATOM 241 OH TYR A 15 4.067 0.448 -5.025 1.00 0.00 O ATOM 0 H TYR A 15 10.057 2.347 -10.156 1.00 0.00 H new ATOM 0 HA TYR A 15 7.626 0.942 -10.275 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.172 0.969 -8.353 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.862 2.676 -8.103 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.267 -0.692 -7.992 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.945 3.404 -6.848 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.392 -1.253 -6.509 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.067 2.843 -5.370 1.00 0.00 H new ATOM 0 HH TYR A 15 4.397 -0.068 -4.260 1.00 0.00 H new ATOM 251 N LEU A 16 7.393 4.221 -10.151 1.00 0.00 N ATOM 252 CA LEU A 16 6.487 5.354 -10.330 1.00 0.00 C ATOM 253 C LEU A 16 5.750 5.205 -11.655 1.00 0.00 C ATOM 254 O LEU A 16 4.526 5.340 -11.720 1.00 0.00 O ATOM 255 CB LEU A 16 7.280 6.677 -10.285 1.00 0.00 C ATOM 256 CG LEU A 16 6.457 7.978 -10.138 1.00 0.00 C ATOM 257 CD1 LEU A 16 7.363 9.134 -9.723 1.00 0.00 C ATOM 258 CD2 LEU A 16 5.723 8.332 -11.434 1.00 0.00 C ATOM 0 H LEU A 16 8.376 4.482 -10.075 1.00 0.00 H new ATOM 0 HA LEU A 16 5.756 5.372 -9.522 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.983 6.624 -9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.871 6.750 -11.198 1.00 0.00 H new ATOM 0 HG LEU A 16 5.709 7.808 -9.363 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.770 10.043 -9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.835 8.902 -8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.132 9.284 -10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.156 9.252 -11.291 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.448 8.473 -12.236 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.042 7.523 -11.699 1.00 0.00 H new ATOM 270 N ASP A 17 6.506 4.900 -12.701 1.00 0.00 N ATOM 271 CA ASP A 17 5.942 4.734 -14.035 1.00 0.00 C ATOM 272 C ASP A 17 4.860 3.652 -14.031 1.00 0.00 C ATOM 273 O ASP A 17 3.713 3.904 -14.414 1.00 0.00 O ATOM 274 CB ASP A 17 7.046 4.380 -15.039 1.00 0.00 C ATOM 275 CG ASP A 17 6.538 4.327 -16.474 1.00 0.00 C ATOM 276 OD1 ASP A 17 6.374 5.401 -17.091 1.00 0.00 O ATOM 277 OD2 ASP A 17 6.322 3.213 -16.999 1.00 0.00 O ATOM 0 H ASP A 17 7.515 4.762 -12.652 1.00 0.00 H new ATOM 0 HA ASP A 17 5.485 5.677 -14.336 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.846 5.116 -14.968 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.477 3.414 -14.774 1.00 0.00 H new ATOM 282 N GLN A 18 5.218 2.457 -13.557 1.00 0.00 N ATOM 283 CA GLN A 18 4.291 1.322 -13.587 1.00 0.00 C ATOM 284 C GLN A 18 3.142 1.486 -12.578 1.00 0.00 C ATOM 285 O GLN A 18 2.024 1.023 -12.831 1.00 0.00 O ATOM 286 CB GLN A 18 5.046 -0.011 -13.386 1.00 0.00 C ATOM 287 CG GLN A 18 5.896 -0.109 -12.115 1.00 0.00 C ATOM 288 CD GLN A 18 5.170 -0.758 -10.945 1.00 0.00 C ATOM 289 OE1 GLN A 18 5.176 -1.978 -10.803 1.00 0.00 O ATOM 290 NE2 GLN A 18 4.573 0.047 -10.084 1.00 0.00 N ATOM 0 H GLN A 18 6.131 2.250 -13.152 1.00 0.00 H new ATOM 0 HA GLN A 18 3.833 1.300 -14.576 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.318 -0.822 -13.377 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.694 -0.174 -14.247 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.798 -0.681 -12.334 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.216 0.892 -11.824 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.588 1.056 -10.234 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.097 -0.340 -9.269 1.00 0.00 H new ATOM 299 N ILE A 19 3.399 2.181 -11.463 1.00 0.00 N ATOM 300 CA ILE A 19 2.372 2.377 -10.431 1.00 0.00 C ATOM 301 C ILE A 19 1.348 3.400 -10.915 1.00 0.00 C ATOM 302 O ILE A 19 0.169 3.339 -10.562 1.00 0.00 O ATOM 303 CB ILE A 19 2.980 2.841 -9.067 1.00 0.00 C ATOM 304 CG1 ILE A 19 2.016 2.555 -7.905 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.341 4.324 -9.088 1.00 0.00 C ATOM 306 CD1 ILE A 19 1.887 1.087 -7.568 1.00 0.00 C ATOM 0 H ILE A 19 4.299 2.613 -11.253 1.00 0.00 H new ATOM 0 HA ILE A 19 1.890 1.414 -10.261 1.00 0.00 H new ATOM 0 HB ILE A 19 3.894 2.268 -8.915 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.358 3.093 -7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.031 2.949 -8.157 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.760 4.610 -8.123 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.075 4.509 -9.872 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.445 4.914 -9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.190 0.964 -6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.515 0.545 -8.438 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.862 0.692 -7.284 1.00 0.00 H new ATOM 318 N ALA A 20 1.820 4.342 -11.731 1.00 0.00 N ATOM 319 CA ALA A 20 0.960 5.355 -12.322 1.00 0.00 C ATOM 320 C ALA A 20 0.142 4.759 -13.456 1.00 0.00 C ATOM 321 O ALA A 20 -1.028 5.094 -13.634 1.00 0.00 O ATOM 322 CB ALA A 20 1.790 6.534 -12.820 1.00 0.00 C ATOM 0 H ALA A 20 2.802 4.421 -11.997 1.00 0.00 H new ATOM 0 HA ALA A 20 0.274 5.718 -11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.131 7.283 -13.259 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.334 6.975 -11.985 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.499 6.188 -13.572 1.00 0.00 H new ATOM 328 N LYS A 21 0.767 3.869 -14.221 1.00 0.00 N ATOM 329 CA LYS A 21 0.108 3.224 -15.353 1.00 0.00 C ATOM 330 C LYS A 21 -1.012 2.292 -14.902 1.00 0.00 C ATOM 331 O LYS A 21 -2.187 2.561 -15.171 1.00 0.00 O ATOM 332 CB LYS A 21 1.134 2.449 -16.201 1.00 0.00 C ATOM 333 CG LYS A 21 1.981 3.327 -17.131 1.00 0.00 C ATOM 334 CD LYS A 21 1.606 3.128 -18.602 1.00 0.00 C ATOM 335 CE LYS A 21 0.155 3.508 -18.887 1.00 0.00 C ATOM 336 NZ LYS A 21 -0.254 3.134 -20.267 1.00 0.00 N ATOM 0 H LYS A 21 1.734 3.577 -14.077 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.340 4.010 -15.961 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.799 1.901 -15.533 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.605 1.709 -16.802 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.849 4.375 -16.861 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.036 3.092 -16.990 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.266 3.729 -19.227 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.767 2.086 -18.878 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.498 3.013 -18.168 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.027 4.582 -18.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.245 3.408 -20.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.353 3.625 -20.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.156 2.106 -20.392 1.00 0.00 H new ATOM 350 N PHE A 22 -0.653 1.211 -14.210 1.00 0.00 N ATOM 351 CA PHE A 22 -1.627 0.179 -13.850 1.00 0.00 C ATOM 352 C PHE A 22 -2.833 0.787 -13.137 1.00 0.00 C ATOM 353 O PHE A 22 -3.978 0.437 -13.425 1.00 0.00 O ATOM 354 CB PHE A 22 -0.983 -0.910 -12.973 1.00 0.00 C ATOM 355 CG PHE A 22 -1.979 -1.918 -12.443 1.00 0.00 C ATOM 356 CD1 PHE A 22 -2.474 -2.928 -13.257 1.00 0.00 C ATOM 357 CD2 PHE A 22 -2.437 -1.838 -11.137 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.406 -3.831 -12.777 1.00 0.00 C ATOM 359 CE2 PHE A 22 -3.364 -2.738 -10.650 1.00 0.00 C ATOM 360 CZ PHE A 22 -3.853 -3.736 -11.472 1.00 0.00 C ATOM 0 H PHE A 22 0.298 1.027 -13.889 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.971 -0.284 -14.775 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.223 -1.432 -13.554 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.474 -0.437 -12.133 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.128 -3.010 -14.277 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.063 -1.059 -10.490 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.784 -4.610 -13.422 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.706 -2.662 -9.629 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.582 -4.439 -11.096 1.00 0.00 H new ATOM 370 N TRP A 23 -2.567 1.716 -12.227 1.00 0.00 N ATOM 371 CA TRP A 23 -3.615 2.303 -11.406 1.00 0.00 C ATOM 372 C TRP A 23 -4.468 3.297 -12.200 1.00 0.00 C ATOM 373 O TRP A 23 -5.675 3.404 -11.967 1.00 0.00 O ATOM 374 CB TRP A 23 -3.008 2.975 -10.171 1.00 0.00 C ATOM 375 CG TRP A 23 -4.030 3.533 -9.224 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.009 4.761 -8.644 1.00 0.00 C ATOM 377 CD2 TRP A 23 -5.225 2.887 -8.754 1.00 0.00 C ATOM 378 NE1 TRP A 23 -5.117 4.932 -7.855 1.00 0.00 N ATOM 379 CE2 TRP A 23 -5.877 3.794 -7.901 1.00 0.00 C ATOM 380 CE3 TRP A 23 -5.808 1.634 -8.976 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -7.081 3.491 -7.271 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -7.001 1.334 -8.348 1.00 0.00 C ATOM 383 CH2 TRP A 23 -7.628 2.259 -7.506 1.00 0.00 C ATOM 0 H TRP A 23 -1.632 2.079 -12.040 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.274 1.498 -11.081 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.391 2.250 -9.640 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.347 3.780 -10.494 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.231 5.497 -8.784 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -5.339 5.772 -7.320 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -5.333 0.915 -9.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -7.566 4.203 -6.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -7.458 0.369 -8.510 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -8.562 1.995 -7.032 1.00 0.00 H new ATOM 394 N GLU A 24 -3.860 4.012 -13.150 1.00 0.00 N ATOM 395 CA GLU A 24 -4.606 4.996 -13.933 1.00 0.00 C ATOM 396 C GLU A 24 -5.594 4.284 -14.853 1.00 0.00 C ATOM 397 O GLU A 24 -6.736 4.724 -15.037 1.00 0.00 O ATOM 398 CB GLU A 24 -3.655 5.875 -14.756 1.00 0.00 C ATOM 399 CG GLU A 24 -4.358 6.956 -15.570 1.00 0.00 C ATOM 400 CD GLU A 24 -3.380 7.829 -16.335 1.00 0.00 C ATOM 401 OE1 GLU A 24 -2.806 8.759 -15.725 1.00 0.00 O ATOM 402 OE2 GLU A 24 -3.171 7.589 -17.542 1.00 0.00 O ATOM 0 H GLU A 24 -2.872 3.930 -13.392 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.155 5.640 -13.246 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.940 6.349 -14.083 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.083 5.240 -15.432 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.049 6.488 -16.271 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.954 7.580 -14.904 1.00 0.00 H new ATOM 409 N ILE A 25 -5.149 3.166 -15.411 1.00 0.00 N ATOM 410 CA ILE A 25 -5.972 2.377 -16.317 1.00 0.00 C ATOM 411 C ILE A 25 -7.010 1.572 -15.533 1.00 0.00 C ATOM 412 O ILE A 25 -8.009 1.112 -16.088 1.00 0.00 O ATOM 413 CB ILE A 25 -5.099 1.425 -17.179 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.956 2.208 -17.851 1.00 0.00 C ATOM 415 CG2 ILE A 25 -5.943 0.702 -18.232 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.419 3.379 -18.697 1.00 0.00 C ATOM 0 H ILE A 25 -4.217 2.784 -15.251 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.489 3.066 -16.985 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.669 0.672 -16.519 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.280 2.576 -17.079 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.382 1.525 -18.478 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.305 0.043 -18.820 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.715 0.113 -17.737 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.411 1.435 -18.889 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.553 3.877 -19.134 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.070 3.018 -19.493 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.966 4.085 -18.073 1.00 0.00 H new ATOM 428 N GLN A 26 -6.783 1.438 -14.227 1.00 0.00 N ATOM 429 CA GLN A 26 -7.691 0.704 -13.343 1.00 0.00 C ATOM 430 C GLN A 26 -8.901 1.584 -12.972 1.00 0.00 C ATOM 431 O GLN A 26 -9.343 1.603 -11.822 1.00 0.00 O ATOM 432 CB GLN A 26 -6.931 0.257 -12.076 1.00 0.00 C ATOM 433 CG GLN A 26 -7.308 -1.131 -11.553 1.00 0.00 C ATOM 434 CD GLN A 26 -8.791 -1.290 -11.260 1.00 0.00 C ATOM 435 OE1 GLN A 26 -9.564 -1.717 -12.118 1.00 0.00 O ATOM 436 NE2 GLN A 26 -9.201 -0.946 -10.049 1.00 0.00 N ATOM 0 H GLN A 26 -5.970 1.832 -13.753 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.061 -0.181 -13.861 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.862 0.271 -12.288 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.109 0.987 -11.287 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.009 -1.880 -12.287 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.743 -1.333 -10.643 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.531 -0.596 -9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.187 -1.031 -9.801 1.00 0.00 H new ATOM 445 N GLY A 27 -9.422 2.314 -13.961 1.00 0.00 N ATOM 446 CA GLY A 27 -10.588 3.159 -13.755 1.00 0.00 C ATOM 447 C GLY A 27 -10.383 4.211 -12.680 1.00 0.00 C ATOM 448 O GLY A 27 -11.346 4.664 -12.054 1.00 0.00 O ATOM 0 H GLY A 27 -9.051 2.333 -14.911 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.841 3.652 -14.693 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.439 2.533 -13.484 1.00 0.00 H new ATOM 452 N SER A 28 -9.136 4.622 -12.473 1.00 0.00 N ATOM 453 CA SER A 28 -8.807 5.553 -11.400 1.00 0.00 C ATOM 454 C SER A 28 -7.630 6.450 -11.784 1.00 0.00 C ATOM 455 O SER A 28 -7.205 6.471 -12.938 1.00 0.00 O ATOM 456 CB SER A 28 -8.489 4.766 -10.124 1.00 0.00 C ATOM 457 OG SER A 28 -9.578 3.935 -9.755 1.00 0.00 O ATOM 0 H SER A 28 -8.337 4.325 -13.034 1.00 0.00 H new ATOM 0 HA SER A 28 -9.667 6.199 -11.223 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.599 4.157 -10.280 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.263 5.458 -9.312 1.00 0.00 H new ATOM 0 HG SER A 28 -9.291 3.311 -9.056 1.00 0.00 H new ATOM 463 N SER A 29 -7.141 7.217 -10.817 1.00 0.00 N ATOM 464 CA SER A 29 -5.974 8.069 -11.004 1.00 0.00 C ATOM 465 C SER A 29 -5.052 7.933 -9.794 1.00 0.00 C ATOM 466 O SER A 29 -5.518 7.656 -8.681 1.00 0.00 O ATOM 467 CB SER A 29 -6.412 9.527 -11.208 1.00 0.00 C ATOM 468 OG SER A 29 -7.302 9.946 -10.184 1.00 0.00 O ATOM 0 H SER A 29 -7.543 7.265 -9.881 1.00 0.00 H new ATOM 0 HA SER A 29 -5.428 7.758 -11.895 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.535 10.174 -11.218 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.896 9.631 -12.179 1.00 0.00 H new ATOM 0 HG SER A 29 -7.563 10.878 -10.338 1.00 0.00 H new ATOM 474 N LEU A 30 -3.752 8.111 -10.005 1.00 0.00 N ATOM 475 CA LEU A 30 -2.772 7.879 -8.948 1.00 0.00 C ATOM 476 C LEU A 30 -2.784 9.002 -7.915 1.00 0.00 C ATOM 477 O LEU A 30 -2.371 10.126 -8.198 1.00 0.00 O ATOM 478 CB LEU A 30 -1.364 7.711 -9.533 1.00 0.00 C ATOM 479 CG LEU A 30 -0.266 7.381 -8.504 1.00 0.00 C ATOM 480 CD1 LEU A 30 -0.602 6.103 -7.735 1.00 0.00 C ATOM 481 CD2 LEU A 30 1.086 7.249 -9.194 1.00 0.00 C ATOM 0 H LEU A 30 -3.353 8.414 -10.894 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.053 6.954 -8.444 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.390 6.918 -10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.090 8.630 -10.052 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.214 8.201 -7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.189 5.893 -7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.547 6.233 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.688 5.270 -8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.851 7.016 -8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.041 6.449 -9.933 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.335 8.187 -9.690 1.00 0.00 H new ATOM 493 N LYS A 31 -3.278 8.679 -6.721 1.00 0.00 N ATOM 494 CA LYS A 31 -3.265 9.599 -5.588 1.00 0.00 C ATOM 495 C LYS A 31 -3.008 8.843 -4.288 1.00 0.00 C ATOM 496 O LYS A 31 -3.840 8.052 -3.842 1.00 0.00 O ATOM 497 CB LYS A 31 -4.585 10.385 -5.486 1.00 0.00 C ATOM 498 CG LYS A 31 -4.693 11.549 -6.464 1.00 0.00 C ATOM 499 CD LYS A 31 -3.536 12.533 -6.297 1.00 0.00 C ATOM 500 CE LYS A 31 -3.713 13.778 -7.156 1.00 0.00 C ATOM 501 NZ LYS A 31 -4.865 14.605 -6.709 1.00 0.00 N ATOM 0 H LYS A 31 -3.698 7.773 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.457 10.312 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.417 9.702 -5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.691 10.767 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.702 11.167 -7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.639 12.069 -6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.457 12.824 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.601 12.040 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.802 14.376 -7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.860 13.483 -8.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.821 15.538 -7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.754 14.132 -6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.827 14.724 -5.677 1.00 0.00 H new ATOM 515 N ILE A 32 -1.839 9.080 -3.707 1.00 0.00 N ATOM 516 CA ILE A 32 -1.491 8.555 -2.392 1.00 0.00 C ATOM 517 C ILE A 32 -1.050 9.714 -1.491 1.00 0.00 C ATOM 518 O ILE A 32 0.017 10.297 -1.690 1.00 0.00 O ATOM 519 CB ILE A 32 -0.386 7.462 -2.474 1.00 0.00 C ATOM 520 CG1 ILE A 32 0.768 7.909 -3.389 1.00 0.00 C ATOM 521 CG2 ILE A 32 -0.980 6.138 -2.958 1.00 0.00 C ATOM 522 CD1 ILE A 32 1.869 6.877 -3.542 1.00 0.00 C ATOM 0 H ILE A 32 -1.104 9.643 -4.135 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.372 8.075 -1.966 1.00 0.00 H new ATOM 0 HB ILE A 32 0.020 7.314 -1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.366 8.145 -4.374 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.198 8.828 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.194 5.384 -3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.752 5.810 -2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.417 6.275 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.644 7.267 -4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.300 6.657 -2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.455 5.964 -3.970 1.00 0.00 H new ATOM 534 N PRO A 33 -1.903 10.094 -0.516 1.00 0.00 N ATOM 535 CA PRO A 33 -1.666 11.263 0.349 1.00 0.00 C ATOM 536 C PRO A 33 -0.351 11.187 1.126 1.00 0.00 C ATOM 537 O PRO A 33 0.311 10.147 1.167 1.00 0.00 O ATOM 538 CB PRO A 33 -2.863 11.247 1.316 1.00 0.00 C ATOM 539 CG PRO A 33 -3.912 10.457 0.609 1.00 0.00 C ATOM 540 CD PRO A 33 -3.171 9.419 -0.185 1.00 0.00 C ATOM 0 HA PRO A 33 -1.582 12.177 -0.239 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.596 10.788 2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.209 12.257 1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.597 9.992 1.318 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.511 11.094 -0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.005 8.511 0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.720 9.129 -1.081 1.00 0.00 H new ATOM 548 N ASN A 34 0.016 12.302 1.745 1.00 0.00 N ATOM 549 CA ASN A 34 1.232 12.390 2.537 1.00 0.00 C ATOM 550 C ASN A 34 0.903 12.693 3.982 1.00 0.00 C ATOM 551 O ASN A 34 -0.099 13.345 4.288 1.00 0.00 O ATOM 552 CB ASN A 34 2.177 13.463 1.975 1.00 0.00 C ATOM 553 CG ASN A 34 1.560 14.853 1.942 1.00 0.00 C ATOM 554 OD1 ASN A 34 0.348 15.013 1.779 1.00 0.00 O ATOM 555 ND2 ASN A 34 2.389 15.872 2.101 1.00 0.00 N ATOM 0 H ASN A 34 -0.521 13.168 1.711 1.00 0.00 H new ATOM 0 HA ASN A 34 1.737 11.425 2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.084 13.490 2.579 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.475 13.182 0.965 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.031 16.827 2.091 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.386 15.702 2.234 1.00 0.00 H new ATOM 562 N VAL A 35 1.751 12.203 4.861 1.00 0.00 N ATOM 563 CA VAL A 35 1.605 12.414 6.289 1.00 0.00 C ATOM 564 C VAL A 35 2.978 12.671 6.909 1.00 0.00 C ATOM 565 O VAL A 35 3.977 12.107 6.457 1.00 0.00 O ATOM 566 CB VAL A 35 0.923 11.199 6.978 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.801 9.950 6.894 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.561 11.525 8.427 1.00 0.00 C ATOM 0 H VAL A 35 2.565 11.644 4.606 1.00 0.00 H new ATOM 0 HA VAL A 35 0.964 13.282 6.444 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.002 10.987 6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.297 9.117 7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.980 9.701 5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.753 10.141 7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.085 10.659 8.887 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.466 11.778 8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.126 12.371 8.449 1.00 0.00 H new ATOM 578 N GLU A 36 3.033 13.549 7.909 1.00 0.00 N ATOM 579 CA GLU A 36 4.284 13.852 8.612 1.00 0.00 C ATOM 580 C GLU A 36 5.317 14.466 7.667 1.00 0.00 C ATOM 581 O GLU A 36 6.522 14.416 7.927 1.00 0.00 O ATOM 582 CB GLU A 36 4.843 12.602 9.301 1.00 0.00 C ATOM 583 CG GLU A 36 3.898 12.005 10.344 1.00 0.00 C ATOM 584 CD GLU A 36 3.403 13.036 11.356 1.00 0.00 C ATOM 585 OE1 GLU A 36 4.065 13.232 12.396 1.00 0.00 O ATOM 586 OE2 GLU A 36 2.349 13.663 11.111 1.00 0.00 O ATOM 0 H GLU A 36 2.224 14.066 8.254 1.00 0.00 H new ATOM 0 HA GLU A 36 4.061 14.590 9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.060 11.847 8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.789 12.854 9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.041 11.559 9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.410 11.201 10.873 1.00 0.00 H new ATOM 593 N ARG A 37 4.811 15.040 6.573 1.00 0.00 N ATOM 594 CA ARG A 37 5.623 15.724 5.556 1.00 0.00 C ATOM 595 C ARG A 37 6.303 14.731 4.613 1.00 0.00 C ATOM 596 O ARG A 37 7.167 15.107 3.821 1.00 0.00 O ATOM 597 CB ARG A 37 6.662 16.680 6.186 1.00 0.00 C ATOM 598 CG ARG A 37 6.081 17.997 6.707 1.00 0.00 C ATOM 599 CD ARG A 37 5.091 17.799 7.849 1.00 0.00 C ATOM 600 NE ARG A 37 4.584 19.075 8.362 1.00 0.00 N ATOM 601 CZ ARG A 37 3.923 19.214 9.514 1.00 0.00 C ATOM 602 NH1 ARG A 37 3.642 18.154 10.263 1.00 0.00 N ATOM 603 NH2 ARG A 37 3.524 20.414 9.913 1.00 0.00 N ATOM 0 H ARG A 37 3.813 15.044 6.363 1.00 0.00 H new ATOM 0 HA ARG A 37 4.934 16.330 4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.158 16.166 7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.428 16.904 5.443 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.895 18.638 7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.584 18.518 5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.256 17.189 7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.574 17.249 8.657 1.00 0.00 H new ATOM 0 HE ARG A 37 4.747 19.912 7.802 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.931 17.224 9.960 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.137 18.270 11.141 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.722 21.234 9.340 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.019 20.517 10.793 1.00 0.00 H new ATOM 617 N ARG A 38 5.893 13.470 4.680 1.00 0.00 N ATOM 618 CA ARG A 38 6.375 12.449 3.755 1.00 0.00 C ATOM 619 C ARG A 38 5.201 11.727 3.107 1.00 0.00 C ATOM 620 O ARG A 38 4.199 11.443 3.761 1.00 0.00 O ATOM 621 CB ARG A 38 7.308 11.450 4.462 1.00 0.00 C ATOM 622 CG ARG A 38 8.771 11.884 4.463 1.00 0.00 C ATOM 623 CD ARG A 38 9.684 10.834 5.090 1.00 0.00 C ATOM 624 NE ARG A 38 11.076 11.008 4.666 1.00 0.00 N ATOM 625 CZ ARG A 38 12.118 10.373 5.202 1.00 0.00 C ATOM 626 NH1 ARG A 38 11.959 9.588 6.261 1.00 0.00 N ATOM 627 NH2 ARG A 38 13.325 10.543 4.682 1.00 0.00 N ATOM 0 H ARG A 38 5.224 13.128 5.369 1.00 0.00 H new ATOM 0 HA ARG A 38 6.953 12.944 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.975 11.319 5.492 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.225 10.479 3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.092 12.077 3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.870 12.822 5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.623 10.900 6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.340 9.838 4.811 1.00 0.00 H new ATOM 0 HE ARG A 38 11.261 11.662 3.906 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.033 9.467 6.671 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.763 9.106 6.664 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.452 11.156 3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.127 10.060 5.087 1.00 0.00 H new ATOM 641 N ILE A 39 5.327 11.458 1.813 1.00 0.00 N ATOM 642 CA ILE A 39 4.280 10.779 1.062 1.00 0.00 C ATOM 643 C ILE A 39 4.141 9.334 1.525 1.00 0.00 C ATOM 644 O ILE A 39 5.124 8.713 1.941 1.00 0.00 O ATOM 645 CB ILE A 39 4.560 10.812 -0.466 1.00 0.00 C ATOM 646 CG1 ILE A 39 3.413 10.137 -1.243 1.00 0.00 C ATOM 647 CG2 ILE A 39 5.901 10.148 -0.788 1.00 0.00 C ATOM 648 CD1 ILE A 39 3.605 10.129 -2.744 1.00 0.00 C ATOM 0 H ILE A 39 6.149 11.702 1.260 1.00 0.00 H new ATOM 0 HA ILE A 39 3.348 11.311 1.251 1.00 0.00 H new ATOM 0 HB ILE A 39 4.616 11.854 -0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.308 9.109 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.480 10.649 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.075 10.183 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.702 10.678 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.882 9.110 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.755 9.637 -3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.678 11.154 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.520 9.590 -2.991 1.00 0.00 H new ATOM 660 N LEU A 40 2.921 8.811 1.453 1.00 0.00 N ATOM 661 CA LEU A 40 2.661 7.422 1.792 1.00 0.00 C ATOM 662 C LEU A 40 3.341 6.528 0.754 1.00 0.00 C ATOM 663 O LEU A 40 2.797 6.279 -0.326 1.00 0.00 O ATOM 664 CB LEU A 40 1.144 7.169 1.834 1.00 0.00 C ATOM 665 CG LEU A 40 0.705 5.788 2.345 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.178 5.565 3.782 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.814 5.644 2.246 1.00 0.00 C ATOM 0 H LEU A 40 2.095 9.334 1.161 1.00 0.00 H new ATOM 0 HA LEU A 40 3.065 7.192 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.686 7.930 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.745 7.306 0.829 1.00 0.00 H new ATOM 0 HG LEU A 40 1.166 5.026 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.856 4.581 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.266 5.624 3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.750 6.331 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.111 4.661 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.293 6.415 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.123 5.753 1.206 1.00 0.00 H new ATOM 679 N ASP A 41 4.555 6.090 1.076 1.00 0.00 N ATOM 680 CA ASP A 41 5.390 5.357 0.129 1.00 0.00 C ATOM 681 C ASP A 41 4.841 3.951 -0.095 1.00 0.00 C ATOM 682 O ASP A 41 5.110 3.025 0.675 1.00 0.00 O ATOM 683 CB ASP A 41 6.845 5.302 0.619 1.00 0.00 C ATOM 684 CG ASP A 41 7.792 4.736 -0.429 1.00 0.00 C ATOM 685 OD1 ASP A 41 8.218 5.497 -1.326 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.114 3.532 -0.363 1.00 0.00 O ATOM 0 H ASP A 41 4.984 6.231 1.991 1.00 0.00 H new ATOM 0 HA ASP A 41 5.372 5.885 -0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.170 6.305 0.894 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.899 4.691 1.520 1.00 0.00 H new ATOM 691 N LEU A 42 4.051 3.818 -1.155 1.00 0.00 N ATOM 692 CA LEU A 42 3.386 2.564 -1.501 1.00 0.00 C ATOM 693 C LEU A 42 4.407 1.442 -1.719 1.00 0.00 C ATOM 694 O LEU A 42 4.098 0.270 -1.528 1.00 0.00 O ATOM 695 CB LEU A 42 2.531 2.771 -2.770 1.00 0.00 C ATOM 696 CG LEU A 42 1.206 1.974 -2.847 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.385 2.414 -4.057 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.458 0.467 -2.901 1.00 0.00 C ATOM 0 H LEU A 42 3.852 4.580 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 42 2.741 2.268 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.296 3.832 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.138 2.509 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 42 0.642 2.187 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.543 1.843 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.154 3.476 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.957 2.238 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.505 -0.060 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.054 0.229 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.995 0.156 -2.005 1.00 0.00 H new ATOM 710 N TYR A 43 5.624 1.814 -2.103 1.00 0.00 N ATOM 711 CA TYR A 43 6.668 0.840 -2.424 1.00 0.00 C ATOM 712 C TYR A 43 7.038 0.022 -1.180 1.00 0.00 C ATOM 713 O TYR A 43 6.852 -1.203 -1.141 1.00 0.00 O ATOM 714 CB TYR A 43 7.911 1.560 -2.976 1.00 0.00 C ATOM 715 CG TYR A 43 8.765 0.719 -3.912 1.00 0.00 C ATOM 716 CD1 TYR A 43 8.818 -0.671 -3.808 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.509 1.323 -4.917 1.00 0.00 C ATOM 718 CE1 TYR A 43 9.588 -1.423 -4.675 1.00 0.00 C ATOM 719 CE2 TYR A 43 10.276 0.578 -5.785 1.00 0.00 C ATOM 720 CZ TYR A 43 10.314 -0.793 -5.663 1.00 0.00 C ATOM 721 OH TYR A 43 11.078 -1.540 -6.532 1.00 0.00 O ATOM 0 H TYR A 43 5.915 2.787 -2.201 1.00 0.00 H new ATOM 0 HA TYR A 43 6.287 0.159 -3.186 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.590 2.457 -3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.527 1.887 -2.139 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.248 -1.168 -3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.486 2.398 -5.020 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.621 -2.498 -4.579 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.847 1.068 -6.560 1.00 0.00 H new ATOM 0 HH TYR A 43 11.526 -0.945 -7.168 1.00 0.00 H new ATOM 731 N SER A 44 7.552 0.714 -0.166 1.00 0.00 N ATOM 732 CA SER A 44 7.936 0.076 1.087 1.00 0.00 C ATOM 733 C SER A 44 6.723 -0.599 1.720 1.00 0.00 C ATOM 734 O SER A 44 6.821 -1.698 2.263 1.00 0.00 O ATOM 735 CB SER A 44 8.548 1.109 2.044 1.00 0.00 C ATOM 736 OG SER A 44 7.673 2.206 2.240 1.00 0.00 O ATOM 0 H SER A 44 7.712 1.721 -0.190 1.00 0.00 H new ATOM 0 HA SER A 44 8.689 -0.686 0.883 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.765 0.637 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.497 1.464 1.642 1.00 0.00 H new ATOM 0 HG SER A 44 7.664 2.765 1.435 1.00 0.00 H new ATOM 742 N LEU A 45 5.577 0.063 1.617 1.00 0.00 N ATOM 743 CA LEU A 45 4.316 -0.476 2.106 1.00 0.00 C ATOM 744 C LEU A 45 4.029 -1.819 1.436 1.00 0.00 C ATOM 745 O LEU A 45 3.715 -2.802 2.108 1.00 0.00 O ATOM 746 CB LEU A 45 3.181 0.541 1.844 1.00 0.00 C ATOM 747 CG LEU A 45 1.764 0.163 2.338 1.00 0.00 C ATOM 748 CD1 LEU A 45 1.049 -0.765 1.354 1.00 0.00 C ATOM 749 CD2 LEU A 45 1.823 -0.472 3.726 1.00 0.00 C ATOM 0 H LEU A 45 5.497 0.987 1.193 1.00 0.00 H new ATOM 0 HA LEU A 45 4.379 -0.646 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.460 1.486 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.128 0.719 0.770 1.00 0.00 H new ATOM 0 HG LEU A 45 1.187 1.085 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.058 -1.007 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.954 -0.268 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.626 -1.682 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.815 -0.729 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.433 -1.374 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.263 0.234 4.431 1.00 0.00 H new ATOM 761 N SER A 46 4.176 -1.856 0.116 1.00 0.00 N ATOM 762 CA SER A 46 3.878 -3.051 -0.661 1.00 0.00 C ATOM 763 C SER A 46 4.767 -4.207 -0.219 1.00 0.00 C ATOM 764 O SER A 46 4.271 -5.285 0.114 1.00 0.00 O ATOM 765 CB SER A 46 4.059 -2.778 -2.163 1.00 0.00 C ATOM 766 OG SER A 46 3.783 -3.935 -2.938 1.00 0.00 O ATOM 0 H SER A 46 4.502 -1.066 -0.440 1.00 0.00 H new ATOM 0 HA SER A 46 2.838 -3.326 -0.485 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.398 -1.967 -2.469 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.080 -2.446 -2.353 1.00 0.00 H new ATOM 0 HG SER A 46 2.908 -4.297 -2.686 1.00 0.00 H new ATOM 772 N LYS A 47 6.080 -3.975 -0.182 1.00 0.00 N ATOM 773 CA LYS A 47 7.013 -5.035 0.187 1.00 0.00 C ATOM 774 C LYS A 47 6.742 -5.507 1.613 1.00 0.00 C ATOM 775 O LYS A 47 6.853 -6.695 1.909 1.00 0.00 O ATOM 776 CB LYS A 47 8.476 -4.589 0.041 1.00 0.00 C ATOM 777 CG LYS A 47 8.892 -3.478 0.999 1.00 0.00 C ATOM 778 CD LYS A 47 10.409 -3.272 1.034 1.00 0.00 C ATOM 779 CE LYS A 47 11.145 -4.389 1.784 1.00 0.00 C ATOM 780 NZ LYS A 47 11.104 -5.692 1.067 1.00 0.00 N ATOM 0 H LYS A 47 6.514 -3.078 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 47 6.854 -5.865 -0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.124 -5.451 0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.640 -4.251 -0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.409 -2.547 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.538 -3.716 2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.787 -3.216 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.630 -2.316 1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.184 -4.095 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.701 -4.510 2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.991 -6.208 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.304 -6.256 1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.989 -5.524 0.047 1.00 0.00 H new ATOM 794 N ILE A 48 6.368 -4.576 2.492 1.00 0.00 N ATOM 795 CA ILE A 48 6.052 -4.922 3.873 1.00 0.00 C ATOM 796 C ILE A 48 4.827 -5.831 3.925 1.00 0.00 C ATOM 797 O ILE A 48 4.844 -6.858 4.598 1.00 0.00 O ATOM 798 CB ILE A 48 5.820 -3.664 4.750 1.00 0.00 C ATOM 799 CG1 ILE A 48 7.145 -2.913 4.966 1.00 0.00 C ATOM 800 CG2 ILE A 48 5.189 -4.040 6.093 1.00 0.00 C ATOM 801 CD1 ILE A 48 7.005 -1.642 5.778 1.00 0.00 C ATOM 0 H ILE A 48 6.278 -3.584 2.272 1.00 0.00 H new ATOM 0 HA ILE A 48 6.913 -5.452 4.280 1.00 0.00 H new ATOM 0 HB ILE A 48 5.127 -3.006 4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.850 -3.577 5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.574 -2.667 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.037 -3.140 6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.229 -4.527 5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.851 -4.721 6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.982 -1.170 5.887 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.326 -0.958 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.606 -1.882 6.764 1.00 0.00 H new ATOM 813 N VAL A 49 3.778 -5.464 3.192 1.00 0.00 N ATOM 814 CA VAL A 49 2.561 -6.274 3.131 1.00 0.00 C ATOM 815 C VAL A 49 2.887 -7.684 2.632 1.00 0.00 C ATOM 816 O VAL A 49 2.358 -8.672 3.147 1.00 0.00 O ATOM 817 CB VAL A 49 1.490 -5.626 2.212 1.00 0.00 C ATOM 818 CG1 VAL A 49 0.273 -6.539 2.049 1.00 0.00 C ATOM 819 CG2 VAL A 49 1.064 -4.263 2.758 1.00 0.00 C ATOM 0 H VAL A 49 3.745 -4.612 2.632 1.00 0.00 H new ATOM 0 HA VAL A 49 2.152 -6.331 4.140 1.00 0.00 H new ATOM 0 HB VAL A 49 1.939 -5.483 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.459 -6.057 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.584 -7.485 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.175 -6.726 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.313 -3.826 2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.644 -4.386 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.931 -3.604 2.808 1.00 0.00 H new ATOM 829 N VAL A 50 3.777 -7.766 1.640 1.00 0.00 N ATOM 830 CA VAL A 50 4.239 -9.053 1.118 1.00 0.00 C ATOM 831 C VAL A 50 4.955 -9.849 2.210 1.00 0.00 C ATOM 832 O VAL A 50 4.732 -11.051 2.361 1.00 0.00 O ATOM 833 CB VAL A 50 5.188 -8.871 -0.099 1.00 0.00 C ATOM 834 CG1 VAL A 50 5.701 -10.221 -0.603 1.00 0.00 C ATOM 835 CG2 VAL A 50 4.484 -8.111 -1.220 1.00 0.00 C ATOM 0 H VAL A 50 4.192 -6.955 1.182 1.00 0.00 H new ATOM 0 HA VAL A 50 3.358 -9.602 0.786 1.00 0.00 H new ATOM 0 HB VAL A 50 6.047 -8.286 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.363 -10.064 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.249 -10.723 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.857 -10.840 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.165 -7.994 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.603 -8.668 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.181 -7.128 -0.859 1.00 0.00 H new ATOM 845 N GLU A 51 5.806 -9.165 2.976 1.00 0.00 N ATOM 846 CA GLU A 51 6.507 -9.783 4.102 1.00 0.00 C ATOM 847 C GLU A 51 5.501 -10.323 5.111 1.00 0.00 C ATOM 848 O GLU A 51 5.613 -11.456 5.584 1.00 0.00 O ATOM 849 CB GLU A 51 7.426 -8.761 4.789 1.00 0.00 C ATOM 850 CG GLU A 51 8.562 -8.256 3.910 1.00 0.00 C ATOM 851 CD GLU A 51 9.538 -9.353 3.526 1.00 0.00 C ATOM 852 OE1 GLU A 51 10.363 -9.739 4.384 1.00 0.00 O ATOM 853 OE2 GLU A 51 9.491 -9.828 2.371 1.00 0.00 O ATOM 0 H GLU A 51 6.027 -8.179 2.836 1.00 0.00 H new ATOM 0 HA GLU A 51 7.114 -10.605 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.827 -7.910 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.849 -9.214 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.146 -7.812 3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.098 -7.466 4.435 1.00 0.00 H new ATOM 860 N GLU A 52 4.507 -9.500 5.412 1.00 0.00 N ATOM 861 CA GLU A 52 3.473 -9.840 6.378 1.00 0.00 C ATOM 862 C GLU A 52 2.525 -10.893 5.803 1.00 0.00 C ATOM 863 O GLU A 52 1.828 -11.590 6.543 1.00 0.00 O ATOM 864 CB GLU A 52 2.712 -8.573 6.777 1.00 0.00 C ATOM 865 CG GLU A 52 3.605 -7.470 7.348 1.00 0.00 C ATOM 866 CD GLU A 52 4.499 -7.947 8.485 1.00 0.00 C ATOM 867 OE1 GLU A 52 4.057 -7.916 9.654 1.00 0.00 O ATOM 868 OE2 GLU A 52 5.653 -8.350 8.219 1.00 0.00 O ATOM 0 H GLU A 52 4.395 -8.577 4.993 1.00 0.00 H new ATOM 0 HA GLU A 52 3.937 -10.265 7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.186 -8.186 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.954 -8.833 7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.228 -7.067 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.978 -6.653 7.706 1.00 0.00 H new ATOM 875 N GLY A 53 2.497 -10.993 4.478 1.00 0.00 N ATOM 876 CA GLY A 53 1.783 -12.070 3.811 1.00 0.00 C ATOM 877 C GLY A 53 0.420 -11.670 3.279 1.00 0.00 C ATOM 878 O GLY A 53 -0.195 -12.434 2.532 1.00 0.00 O ATOM 0 H GLY A 53 2.961 -10.340 3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.391 -12.438 2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.660 -12.898 4.509 1.00 0.00 H new ATOM 882 N GLY A 54 -0.070 -10.491 3.654 1.00 0.00 N ATOM 883 CA GLY A 54 -1.367 -10.050 3.164 1.00 0.00 C ATOM 884 C GLY A 54 -1.905 -8.835 3.898 1.00 0.00 C ATOM 885 O GLY A 54 -1.771 -8.733 5.123 1.00 0.00 O ATOM 0 H GLY A 54 0.401 -9.839 4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.287 -9.818 2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.081 -10.868 3.258 1.00 0.00 H new ATOM 889 N TYR A 55 -2.521 -7.924 3.144 1.00 0.00 N ATOM 890 CA TYR A 55 -3.182 -6.742 3.701 1.00 0.00 C ATOM 891 C TYR A 55 -4.162 -7.133 4.800 1.00 0.00 C ATOM 892 O TYR A 55 -4.159 -6.554 5.884 1.00 0.00 O ATOM 893 CB TYR A 55 -3.921 -5.989 2.577 1.00 0.00 C ATOM 894 CG TYR A 55 -5.007 -5.030 3.048 1.00 0.00 C ATOM 895 CD1 TYR A 55 -4.685 -3.805 3.612 1.00 0.00 C ATOM 896 CD2 TYR A 55 -6.356 -5.352 2.921 1.00 0.00 C ATOM 897 CE1 TYR A 55 -5.667 -2.930 4.038 1.00 0.00 C ATOM 898 CE2 TYR A 55 -7.344 -4.482 3.342 1.00 0.00 C ATOM 899 CZ TYR A 55 -6.995 -3.272 3.903 1.00 0.00 C ATOM 900 OH TYR A 55 -7.974 -2.402 4.327 1.00 0.00 O ATOM 0 H TYR A 55 -2.576 -7.985 2.127 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.424 -6.092 4.139 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.190 -5.428 1.995 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.370 -6.720 1.905 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.647 -3.529 3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.635 -6.300 2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.394 -1.981 4.475 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.385 -4.749 3.232 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.856 -2.795 4.159 1.00 0.00 H new ATOM 910 N GLU A 56 -4.977 -8.133 4.507 1.00 0.00 N ATOM 911 CA GLU A 56 -6.052 -8.569 5.396 1.00 0.00 C ATOM 912 C GLU A 56 -5.516 -8.995 6.757 1.00 0.00 C ATOM 913 O GLU A 56 -6.121 -8.710 7.790 1.00 0.00 O ATOM 914 CB GLU A 56 -6.800 -9.719 4.732 1.00 0.00 C ATOM 915 CG GLU A 56 -7.277 -9.364 3.334 1.00 0.00 C ATOM 916 CD GLU A 56 -7.632 -10.585 2.497 1.00 0.00 C ATOM 917 OE1 GLU A 56 -7.033 -11.663 2.723 1.00 0.00 O ATOM 918 OE2 GLU A 56 -8.489 -10.466 1.602 1.00 0.00 O ATOM 0 H GLU A 56 -4.915 -8.671 3.642 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.730 -7.733 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.149 -10.592 4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.657 -9.996 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.150 -8.715 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.499 -8.795 2.825 1.00 0.00 H new ATOM 925 N ALA A 57 -4.373 -9.671 6.756 1.00 0.00 N ATOM 926 CA ALA A 57 -3.747 -10.108 7.996 1.00 0.00 C ATOM 927 C ALA A 57 -3.358 -8.896 8.834 1.00 0.00 C ATOM 928 O ALA A 57 -3.747 -8.774 9.999 1.00 0.00 O ATOM 929 CB ALA A 57 -2.532 -10.982 7.703 1.00 0.00 C ATOM 0 H ALA A 57 -3.862 -9.928 5.911 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.460 -10.707 8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.077 -11.299 8.641 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.843 -11.859 7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.806 -10.413 7.122 1.00 0.00 H new ATOM 935 N ILE A 58 -2.629 -7.976 8.208 1.00 0.00 N ATOM 936 CA ILE A 58 -2.182 -6.759 8.879 1.00 0.00 C ATOM 937 C ILE A 58 -3.387 -5.918 9.296 1.00 0.00 C ATOM 938 O ILE A 58 -3.373 -5.250 10.331 1.00 0.00 O ATOM 939 CB ILE A 58 -1.284 -5.900 7.957 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.283 -6.775 7.193 1.00 0.00 C ATOM 941 CG2 ILE A 58 -0.545 -4.841 8.768 1.00 0.00 C ATOM 942 CD1 ILE A 58 0.517 -6.011 6.157 1.00 0.00 C ATOM 0 H ILE A 58 -2.335 -8.051 7.234 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.607 -7.063 9.753 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.927 -5.402 7.231 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.403 -7.235 7.904 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.822 -7.585 6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.082 -4.246 8.104 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.267 -4.192 9.263 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.080 -5.327 9.518 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.205 -6.691 5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.161 -5.574 5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.083 -5.218 6.646 1.00 0.00 H new ATOM 954 N CYS A 59 -4.428 -5.975 8.471 1.00 0.00 N ATOM 955 CA CYS A 59 -5.638 -5.195 8.671 1.00 0.00 C ATOM 956 C CYS A 59 -6.429 -5.718 9.866 1.00 0.00 C ATOM 957 O CYS A 59 -6.922 -4.939 10.683 1.00 0.00 O ATOM 958 CB CYS A 59 -6.499 -5.226 7.394 1.00 0.00 C ATOM 959 SG CYS A 59 -7.942 -4.139 7.450 1.00 0.00 S ATOM 0 H CYS A 59 -4.453 -6.568 7.641 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.357 -4.163 8.881 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.878 -4.944 6.543 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.834 -6.248 7.219 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.032 -3.479 6.334 1.00 0.00 H new ATOM 965 N LYS A 60 -6.525 -7.036 9.980 1.00 0.00 N ATOM 966 CA LYS A 60 -7.293 -7.654 11.052 1.00 0.00 C ATOM 967 C LYS A 60 -6.481 -7.692 12.348 1.00 0.00 C ATOM 968 O LYS A 60 -7.042 -7.800 13.441 1.00 0.00 O ATOM 969 CB LYS A 60 -7.729 -9.071 10.640 1.00 0.00 C ATOM 970 CG LYS A 60 -8.685 -9.768 11.617 1.00 0.00 C ATOM 971 CD LYS A 60 -10.167 -9.408 11.400 1.00 0.00 C ATOM 972 CE LYS A 60 -10.511 -7.960 11.768 1.00 0.00 C ATOM 973 NZ LYS A 60 -10.391 -7.029 10.612 1.00 0.00 N ATOM 0 H LYS A 60 -6.081 -7.697 9.343 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.185 -7.054 11.232 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.209 -9.017 9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.839 -9.689 10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.565 -10.847 11.521 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.403 -9.506 12.637 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.424 -9.578 10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.786 -10.081 11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.528 -7.920 12.157 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.850 -7.626 12.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.999 -6.122 10.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.760 -7.443 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.330 -6.871 10.195 1.00 0.00 H new ATOM 987 N ASP A 61 -5.158 -7.608 12.220 1.00 0.00 N ATOM 988 CA ASP A 61 -4.262 -7.623 13.383 1.00 0.00 C ATOM 989 C ASP A 61 -3.739 -6.224 13.724 1.00 0.00 C ATOM 990 O ASP A 61 -3.009 -6.061 14.703 1.00 0.00 O ATOM 991 CB ASP A 61 -3.089 -8.585 13.141 1.00 0.00 C ATOM 992 CG ASP A 61 -3.441 -10.036 13.432 1.00 0.00 C ATOM 993 OD1 ASP A 61 -4.409 -10.557 12.833 1.00 0.00 O ATOM 994 OD2 ASP A 61 -2.760 -10.664 14.276 1.00 0.00 O ATOM 0 H ASP A 61 -4.679 -7.529 11.323 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.843 -7.972 14.237 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.762 -8.497 12.105 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.248 -8.288 13.767 1.00 0.00 H new ATOM 999 N ARG A 62 -4.098 -5.222 12.914 1.00 0.00 N ATOM 1000 CA ARG A 62 -3.726 -3.822 13.184 1.00 0.00 C ATOM 1001 C ARG A 62 -2.205 -3.623 13.193 1.00 0.00 C ATOM 1002 O ARG A 62 -1.702 -2.668 13.792 1.00 0.00 O ATOM 1003 CB ARG A 62 -4.307 -3.357 14.532 1.00 0.00 C ATOM 1004 CG ARG A 62 -5.825 -3.203 14.556 1.00 0.00 C ATOM 1005 CD ARG A 62 -6.319 -2.837 15.953 1.00 0.00 C ATOM 1006 NE ARG A 62 -7.746 -2.509 15.976 1.00 0.00 N ATOM 1007 CZ ARG A 62 -8.557 -2.746 17.011 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -8.097 -3.351 18.102 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -9.827 -2.371 16.950 1.00 0.00 N ATOM 0 H ARG A 62 -4.647 -5.351 12.064 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.145 -3.222 12.376 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.016 -4.071 15.303 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.855 -2.401 14.796 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.126 -2.432 13.847 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.293 -4.133 14.234 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.130 -3.669 16.631 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.748 -1.986 16.325 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.147 -2.071 15.147 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.119 -3.637 18.153 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.722 -3.529 18.888 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.181 -1.904 16.115 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.450 -2.550 17.738 1.00 0.00 H new ATOM 1023 N ARG A 63 -1.476 -4.484 12.487 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.008 -4.446 12.517 1.00 0.00 C ATOM 1025 C ARG A 63 0.536 -3.261 11.715 1.00 0.00 C ATOM 1026 O ARG A 63 1.749 -3.107 11.568 1.00 0.00 O ATOM 1027 CB ARG A 63 0.581 -5.761 11.984 1.00 0.00 C ATOM 1028 CG ARG A 63 0.035 -7.012 12.668 1.00 0.00 C ATOM 1029 CD ARG A 63 0.258 -6.993 14.179 1.00 0.00 C ATOM 1030 NE ARG A 63 -0.386 -8.134 14.840 1.00 0.00 N ATOM 1031 CZ ARG A 63 -0.934 -8.089 16.058 1.00 0.00 C ATOM 1032 NH1 ARG A 63 -0.841 -6.986 16.795 1.00 0.00 N ATOM 1033 NH2 ARG A 63 -1.565 -9.153 16.538 1.00 0.00 N ATOM 0 H ARG A 63 -1.869 -5.212 11.891 1.00 0.00 H new ATOM 0 HA ARG A 63 0.296 -4.320 13.556 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.382 -5.829 10.915 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.664 -5.737 12.106 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.032 -7.099 12.462 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.515 -7.894 12.244 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.328 -7.008 14.389 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.135 -6.064 14.593 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.417 -9.020 14.336 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.350 -6.169 16.431 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.261 -6.957 17.724 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.631 -10.003 15.978 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.984 -9.121 17.467 1.00 0.00 H new ATOM 1047 N TRP A 64 -0.363 -2.414 11.207 1.00 0.00 N ATOM 1048 CA TRP A 64 0.035 -1.208 10.478 1.00 0.00 C ATOM 1049 C TRP A 64 0.874 -0.291 11.365 1.00 0.00 C ATOM 1050 O TRP A 64 1.563 0.603 10.872 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.195 -0.451 9.961 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.057 -1.258 9.034 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -3.363 -1.612 9.230 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -1.674 -1.819 7.770 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -3.814 -2.350 8.166 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -2.797 -2.491 7.260 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -0.492 -1.817 7.015 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -2.777 -3.150 6.039 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.475 -2.477 5.801 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -1.611 -3.134 5.323 1.00 0.00 C ATOM 0 H TRP A 64 -1.372 -2.542 11.287 1.00 0.00 H new ATOM 0 HA TRP A 64 0.638 -1.519 9.625 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -1.795 -0.128 10.811 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.865 0.450 9.443 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.953 -1.349 10.096 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.754 -2.732 8.066 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.390 -1.308 7.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.653 -3.659 5.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.431 -2.485 5.213 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.568 -3.639 4.369 1.00 0.00 H new ATOM 1071 N ALA A 65 0.802 -0.521 12.675 1.00 0.00 N ATOM 1072 CA ALA A 65 1.601 0.225 13.637 1.00 0.00 C ATOM 1073 C ALA A 65 3.089 0.068 13.329 1.00 0.00 C ATOM 1074 O ALA A 65 3.803 1.058 13.146 1.00 0.00 O ATOM 1075 CB ALA A 65 1.293 -0.241 15.057 1.00 0.00 C ATOM 0 H ALA A 65 0.193 -1.224 13.094 1.00 0.00 H new ATOM 0 HA ALA A 65 1.344 1.281 13.559 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.898 0.326 15.765 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.237 -0.080 15.272 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.524 -1.302 15.150 1.00 0.00 H new ATOM 1081 N ARG A 66 3.546 -1.184 13.246 1.00 0.00 N ATOM 1082 CA ARG A 66 4.955 -1.464 12.964 1.00 0.00 C ATOM 1083 C ARG A 66 5.310 -1.032 11.544 1.00 0.00 C ATOM 1084 O ARG A 66 6.445 -0.643 11.268 1.00 0.00 O ATOM 1085 CB ARG A 66 5.286 -2.953 13.159 1.00 0.00 C ATOM 1086 CG ARG A 66 4.641 -3.885 12.136 1.00 0.00 C ATOM 1087 CD ARG A 66 5.098 -5.329 12.311 1.00 0.00 C ATOM 1088 NE ARG A 66 6.559 -5.450 12.261 1.00 0.00 N ATOM 1089 CZ ARG A 66 7.222 -6.195 11.375 1.00 0.00 C ATOM 1090 NH1 ARG A 66 6.561 -6.902 10.465 1.00 0.00 N ATOM 1091 NH2 ARG A 66 8.548 -6.238 11.404 1.00 0.00 N ATOM 0 H ARG A 66 2.966 -2.014 13.369 1.00 0.00 H new ATOM 0 HA ARG A 66 5.552 -0.891 13.673 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.368 -3.080 13.116 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.969 -3.255 14.157 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.556 -3.834 12.232 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.888 -3.546 11.130 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.734 -5.712 13.265 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.656 -5.947 11.530 1.00 0.00 H new ATOM 0 HE ARG A 66 7.104 -4.930 12.949 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.542 -6.877 10.441 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.073 -7.470 9.790 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.060 -5.701 12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.055 -6.808 10.726 1.00 0.00 H new ATOM 1105 N VAL A 67 4.327 -1.094 10.649 1.00 0.00 N ATOM 1106 CA VAL A 67 4.520 -0.683 9.261 1.00 0.00 C ATOM 1107 C VAL A 67 4.872 0.802 9.197 1.00 0.00 C ATOM 1108 O VAL A 67 5.911 1.180 8.654 1.00 0.00 O ATOM 1109 CB VAL A 67 3.260 -0.962 8.402 1.00 0.00 C ATOM 1110 CG1 VAL A 67 3.477 -0.525 6.953 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.881 -2.442 8.470 1.00 0.00 C ATOM 0 H VAL A 67 3.386 -1.426 10.861 1.00 0.00 H new ATOM 0 HA VAL A 67 5.342 -1.271 8.853 1.00 0.00 H new ATOM 0 HB VAL A 67 2.436 -0.377 8.809 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.578 -0.732 6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.690 0.543 6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.317 -1.075 6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.994 -2.619 7.861 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.706 -3.047 8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.672 -2.717 9.504 1.00 0.00 H new ATOM 1121 N ALA A 68 4.016 1.638 9.781 1.00 0.00 N ATOM 1122 CA ALA A 68 4.253 3.078 9.820 1.00 0.00 C ATOM 1123 C ALA A 68 5.528 3.385 10.605 1.00 0.00 C ATOM 1124 O ALA A 68 6.247 4.337 10.294 1.00 0.00 O ATOM 1125 CB ALA A 68 3.054 3.808 10.419 1.00 0.00 C ATOM 0 H ALA A 68 3.151 1.342 10.234 1.00 0.00 H new ATOM 0 HA ALA A 68 4.385 3.435 8.799 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.253 4.880 10.438 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.170 3.614 9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.882 3.453 11.435 1.00 0.00 H new ATOM 1131 N GLN A 69 5.803 2.561 11.616 1.00 0.00 N ATOM 1132 CA GLN A 69 7.035 2.675 12.393 1.00 0.00 C ATOM 1133 C GLN A 69 8.248 2.458 11.485 1.00 0.00 C ATOM 1134 O GLN A 69 9.254 3.168 11.596 1.00 0.00 O ATOM 1135 CB GLN A 69 7.015 1.664 13.561 1.00 0.00 C ATOM 1136 CG GLN A 69 8.250 1.692 14.469 1.00 0.00 C ATOM 1137 CD GLN A 69 9.445 0.947 13.887 1.00 0.00 C ATOM 1138 OE1 GLN A 69 9.287 -0.030 13.158 1.00 0.00 O ATOM 1139 NE2 GLN A 69 10.646 1.406 14.199 1.00 0.00 N ATOM 0 H GLN A 69 5.187 1.806 11.916 1.00 0.00 H new ATOM 0 HA GLN A 69 7.108 3.677 12.816 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.131 1.854 14.170 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.909 0.660 13.150 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.532 2.728 14.654 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.993 1.254 15.434 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.739 2.220 14.807 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.479 0.946 13.831 1.00 0.00 H new ATOM 1148 N ARG A 70 8.143 1.481 10.581 1.00 0.00 N ATOM 1149 CA ARG A 70 9.211 1.195 9.621 1.00 0.00 C ATOM 1150 C ARG A 70 9.344 2.360 8.640 1.00 0.00 C ATOM 1151 O ARG A 70 10.447 2.738 8.246 1.00 0.00 O ATOM 1152 CB ARG A 70 8.925 -0.129 8.879 1.00 0.00 C ATOM 1153 CG ARG A 70 10.098 -0.666 8.046 1.00 0.00 C ATOM 1154 CD ARG A 70 10.257 0.058 6.710 1.00 0.00 C ATOM 1155 NE ARG A 70 11.537 -0.247 6.066 1.00 0.00 N ATOM 1156 CZ ARG A 70 12.150 0.565 5.201 1.00 0.00 C ATOM 1157 NH1 ARG A 70 11.590 1.720 4.854 1.00 0.00 N ATOM 1158 NH2 ARG A 70 13.319 0.217 4.684 1.00 0.00 N ATOM 0 H ARG A 70 7.328 0.874 10.494 1.00 0.00 H new ATOM 0 HA ARG A 70 10.155 1.081 10.153 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.641 -0.885 9.611 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.068 0.017 8.222 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.020 -0.567 8.619 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.950 -1.730 7.862 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.441 -0.225 6.045 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.179 1.133 6.870 1.00 0.00 H new ATOM 0 HE ARG A 70 11.988 -1.134 6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.689 1.989 5.249 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.062 2.337 4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.749 -0.670 4.947 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.789 0.836 4.023 1.00 0.00 H new ATOM 1172 N LEU A 71 8.206 2.936 8.270 1.00 0.00 N ATOM 1173 CA LEU A 71 8.166 4.114 7.400 1.00 0.00 C ATOM 1174 C LEU A 71 8.560 5.382 8.169 1.00 0.00 C ATOM 1175 O LEU A 71 8.333 6.494 7.695 1.00 0.00 O ATOM 1176 CB LEU A 71 6.773 4.272 6.762 1.00 0.00 C ATOM 1177 CG LEU A 71 6.516 3.422 5.501 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.666 1.931 5.790 1.00 0.00 C ATOM 1179 CD2 LEU A 71 5.134 3.720 4.922 1.00 0.00 C ATOM 0 H LEU A 71 7.287 2.604 8.561 1.00 0.00 H new ATOM 0 HA LEU A 71 8.893 3.968 6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.021 4.018 7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.627 5.322 6.506 1.00 0.00 H new ATOM 0 HG LEU A 71 7.269 3.694 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.478 1.363 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.678 1.728 6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.950 1.635 6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.973 3.110 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.371 3.488 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.071 4.775 4.654 1.00 0.00 H new ATOM 1191 N ASN A 72 9.118 5.187 9.372 1.00 0.00 N ATOM 1192 CA ASN A 72 9.650 6.264 10.226 1.00 0.00 C ATOM 1193 C ASN A 72 8.611 7.349 10.516 1.00 0.00 C ATOM 1194 O ASN A 72 8.955 8.511 10.741 1.00 0.00 O ATOM 1195 CB ASN A 72 10.965 6.872 9.670 1.00 0.00 C ATOM 1196 CG ASN A 72 10.840 7.527 8.302 1.00 0.00 C ATOM 1197 OD1 ASN A 72 10.448 8.690 8.186 1.00 0.00 O ATOM 1198 ND2 ASN A 72 11.215 6.800 7.256 1.00 0.00 N ATOM 0 H ASN A 72 9.215 4.261 9.788 1.00 0.00 H new ATOM 0 HA ASN A 72 9.895 5.793 11.178 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.334 7.613 10.379 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.716 6.084 9.612 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.184 7.201 6.319 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.534 5.840 7.390 1.00 0.00 H new ATOM 1205 N TYR A 73 7.343 6.954 10.549 1.00 0.00 N ATOM 1206 CA TYR A 73 6.282 7.816 11.060 1.00 0.00 C ATOM 1207 C TYR A 73 6.093 7.535 12.549 1.00 0.00 C ATOM 1208 O TYR A 73 6.428 6.442 13.013 1.00 0.00 O ATOM 1209 CB TYR A 73 4.945 7.552 10.349 1.00 0.00 C ATOM 1210 CG TYR A 73 4.963 7.708 8.841 1.00 0.00 C ATOM 1211 CD1 TYR A 73 5.499 8.837 8.232 1.00 0.00 C ATOM 1212 CD2 TYR A 73 4.420 6.721 8.027 1.00 0.00 C ATOM 1213 CE1 TYR A 73 5.494 8.974 6.855 1.00 0.00 C ATOM 1214 CE2 TYR A 73 4.407 6.852 6.656 1.00 0.00 C ATOM 1215 CZ TYR A 73 4.945 7.976 6.072 1.00 0.00 C ATOM 1216 OH TYR A 73 4.925 8.105 4.701 1.00 0.00 O ATOM 0 H TYR A 73 7.024 6.040 10.227 1.00 0.00 H new ATOM 0 HA TYR A 73 6.574 8.851 10.882 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.621 6.539 10.588 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.196 8.231 10.758 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.926 9.619 8.843 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.000 5.834 8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.916 9.855 6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.976 6.075 6.041 1.00 0.00 H new ATOM 0 HH TYR A 73 4.725 7.236 4.294 1.00 0.00 H new ATOM 1226 N PRO A 74 5.595 8.508 13.330 1.00 0.00 N ATOM 1227 CA PRO A 74 5.140 8.248 14.698 1.00 0.00 C ATOM 1228 C PRO A 74 3.832 7.448 14.670 1.00 0.00 C ATOM 1229 O PRO A 74 2.773 8.004 14.369 1.00 0.00 O ATOM 1230 CB PRO A 74 4.928 9.651 15.283 1.00 0.00 C ATOM 1231 CG PRO A 74 4.660 10.518 14.098 1.00 0.00 C ATOM 1232 CD PRO A 74 5.461 9.934 12.961 1.00 0.00 C ATOM 0 HA PRO A 74 5.843 7.659 15.288 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.092 9.666 15.982 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.808 9.989 15.830 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.597 10.532 13.858 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.956 11.548 14.294 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.950 10.055 12.006 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.433 10.417 12.865 1.00 0.00 H new ATOM 1240 N PRO A 75 3.891 6.129 14.963 1.00 0.00 N ATOM 1241 CA PRO A 75 2.759 5.217 14.758 1.00 0.00 C ATOM 1242 C PRO A 75 1.461 5.714 15.404 1.00 0.00 C ATOM 1243 O PRO A 75 0.566 6.206 14.709 1.00 0.00 O ATOM 1244 CB PRO A 75 3.227 3.887 15.386 1.00 0.00 C ATOM 1245 CG PRO A 75 4.433 4.232 16.201 1.00 0.00 C ATOM 1246 CD PRO A 75 5.056 5.427 15.532 1.00 0.00 C ATOM 0 HA PRO A 75 2.511 5.125 13.701 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.445 3.450 16.007 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.470 3.154 14.617 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.156 4.461 17.230 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.132 3.396 16.237 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.597 6.052 16.243 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.767 5.133 14.760 1.00 0.00 H new ATOM 1254 N GLY A 76 1.349 5.553 16.725 1.00 0.00 N ATOM 1255 CA GLY A 76 0.159 5.991 17.446 1.00 0.00 C ATOM 1256 C GLY A 76 -1.123 5.333 16.955 1.00 0.00 C ATOM 1257 O GLY A 76 -2.212 5.667 17.424 1.00 0.00 O ATOM 0 H GLY A 76 2.065 5.125 17.311 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.286 5.775 18.507 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.063 7.073 17.350 1.00 0.00 H new ATOM 1261 N LYS A 77 -0.984 4.399 16.002 1.00 0.00 N ATOM 1262 CA LYS A 77 -2.115 3.752 15.328 1.00 0.00 C ATOM 1263 C LYS A 77 -2.873 4.752 14.435 1.00 0.00 C ATOM 1264 O LYS A 77 -3.804 4.379 13.717 1.00 0.00 O ATOM 1265 CB LYS A 77 -3.058 3.101 16.357 1.00 0.00 C ATOM 1266 CG LYS A 77 -4.144 2.215 15.748 1.00 0.00 C ATOM 1267 CD LYS A 77 -5.032 1.564 16.812 1.00 0.00 C ATOM 1268 CE LYS A 77 -5.994 2.557 17.473 1.00 0.00 C ATOM 1269 NZ LYS A 77 -5.296 3.611 18.256 1.00 0.00 N ATOM 0 H LYS A 77 -0.075 4.070 15.676 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.722 2.966 14.683 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.464 2.503 17.048 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.534 3.887 16.943 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.763 2.812 15.078 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.678 1.438 15.143 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.607 0.758 16.355 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.401 1.112 17.578 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.605 3.029 16.704 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.673 2.014 18.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.879 3.879 19.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.380 3.248 18.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.141 4.445 17.654 1.00 0.00 H new ATOM 1283 N ASN A 78 -2.435 6.012 14.448 1.00 0.00 N ATOM 1284 CA ASN A 78 -3.110 7.075 13.701 1.00 0.00 C ATOM 1285 C ASN A 78 -2.836 6.936 12.208 1.00 0.00 C ATOM 1286 O ASN A 78 -3.761 6.795 11.404 1.00 0.00 O ATOM 1287 CB ASN A 78 -2.642 8.456 14.188 1.00 0.00 C ATOM 1288 CG ASN A 78 -3.010 8.739 15.636 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -4.038 8.273 16.135 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -2.171 9.498 16.323 1.00 0.00 N ATOM 0 H ASN A 78 -1.614 6.322 14.969 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.182 6.983 13.874 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.560 8.526 14.075 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.080 9.225 13.552 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.364 9.716 17.300 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.331 9.865 15.875 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.553 6.939 11.846 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.152 6.811 10.449 1.00 0.00 C ATOM 1299 C ILE A 79 -1.517 5.416 9.940 1.00 0.00 C ATOM 1300 O ILE A 79 -1.746 5.213 8.750 1.00 0.00 O ATOM 1301 CB ILE A 79 0.374 7.078 10.235 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.760 8.520 10.635 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.766 6.825 8.777 1.00 0.00 C ATOM 1304 CD1 ILE A 79 0.707 8.803 12.123 1.00 0.00 C ATOM 0 H ILE A 79 -0.776 7.029 12.501 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.689 7.571 9.882 1.00 0.00 H new ATOM 0 HB ILE A 79 0.918 6.387 10.879 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.769 8.724 10.276 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.094 9.215 10.123 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.831 7.016 8.648 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.549 5.789 8.516 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.197 7.489 8.127 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.994 9.838 12.307 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.306 8.636 12.489 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.395 8.138 12.645 1.00 0.00 H new ATOM 1316 N GLY A 80 -1.590 4.460 10.868 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.021 3.116 10.529 1.00 0.00 C ATOM 1318 C GLY A 80 -3.451 3.092 10.018 1.00 0.00 C ATOM 1319 O GLY A 80 -3.748 2.448 9.010 1.00 0.00 O ATOM 0 H GLY A 80 -1.357 4.597 11.852 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.357 2.703 9.770 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.939 2.476 11.407 1.00 0.00 H new ATOM 1323 N SER A 81 -4.335 3.803 10.716 1.00 0.00 N ATOM 1324 CA SER A 81 -5.728 3.925 10.299 1.00 0.00 C ATOM 1325 C SER A 81 -5.817 4.690 8.976 1.00 0.00 C ATOM 1326 O SER A 81 -6.558 4.302 8.072 1.00 0.00 O ATOM 1327 CB SER A 81 -6.542 4.634 11.392 1.00 0.00 C ATOM 1328 OG SER A 81 -6.460 3.927 12.624 1.00 0.00 O ATOM 0 H SER A 81 -4.109 4.304 11.575 1.00 0.00 H new ATOM 0 HA SER A 81 -6.144 2.929 10.148 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.171 5.650 11.526 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.584 4.713 11.082 1.00 0.00 H new ATOM 0 HG SER A 81 -5.578 4.071 13.026 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.037 5.767 8.879 1.00 0.00 N ATOM 1335 CA LEU A 82 -4.928 6.568 7.657 1.00 0.00 C ATOM 1336 C LEU A 82 -4.595 5.655 6.470 1.00 0.00 C ATOM 1337 O LEU A 82 -5.268 5.670 5.423 1.00 0.00 O ATOM 1338 CB LEU A 82 -3.829 7.639 7.880 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.625 8.709 6.783 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -2.874 8.150 5.573 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -4.959 9.323 6.371 1.00 0.00 C ATOM 0 H LEU A 82 -4.461 6.110 9.647 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.870 7.067 7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.051 8.156 8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.881 7.120 8.021 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.004 9.498 7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.752 8.935 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.893 7.792 5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.441 7.324 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.791 10.073 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.614 8.543 5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.426 9.792 7.237 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.560 4.847 6.670 1.00 0.00 N ATOM 1354 CA LEU A 83 -3.078 3.905 5.668 1.00 0.00 C ATOM 1355 C LEU A 83 -4.179 2.925 5.266 1.00 0.00 C ATOM 1356 O LEU A 83 -4.481 2.781 4.080 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.859 3.156 6.227 1.00 0.00 C ATOM 1358 CG LEU A 83 -1.311 2.002 5.370 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.946 2.475 3.966 1.00 0.00 C ATOM 1360 CD2 LEU A 83 -0.101 1.371 6.055 1.00 0.00 C ATOM 0 H LEU A 83 -3.028 4.828 7.540 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.785 4.453 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.057 3.877 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.123 2.758 7.207 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.095 1.251 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.562 1.635 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.832 2.878 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.182 3.250 4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.280 0.555 5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.678 2.123 6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.396 0.984 7.030 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.787 2.274 6.256 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.838 1.291 6.000 1.00 0.00 C ATOM 1374 C ARG A 84 -6.979 1.909 5.190 1.00 0.00 C ATOM 1375 O ARG A 84 -7.374 1.375 4.154 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.396 0.724 7.314 1.00 0.00 C ATOM 1377 CG ARG A 84 -7.531 -0.279 7.101 1.00 0.00 C ATOM 1378 CD ARG A 84 -8.196 -0.697 8.407 1.00 0.00 C ATOM 1379 NE ARG A 84 -9.323 -1.604 8.170 1.00 0.00 N ATOM 1380 CZ ARG A 84 -10.461 -1.603 8.866 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -10.641 -0.748 9.866 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -11.429 -2.459 8.552 1.00 0.00 N ATOM 0 H ARG A 84 -4.570 2.410 7.243 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.391 0.480 5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.590 0.240 7.865 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.757 1.545 7.933 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.279 0.159 6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.140 -1.163 6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.463 -1.186 9.049 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.546 0.188 8.938 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.230 -2.286 7.417 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.905 -0.084 10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.515 -0.755 10.392 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.300 -3.114 7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.300 -2.461 9.082 1.00 0.00 H new ATOM 1396 N SER A 85 -7.491 3.041 5.664 1.00 0.00 N ATOM 1397 CA SER A 85 -8.632 3.695 5.033 1.00 0.00 C ATOM 1398 C SER A 85 -8.348 4.025 3.566 1.00 0.00 C ATOM 1399 O SER A 85 -9.181 3.766 2.694 1.00 0.00 O ATOM 1400 CB SER A 85 -9.006 4.960 5.809 1.00 0.00 C ATOM 1401 OG SER A 85 -9.359 4.641 7.147 1.00 0.00 O ATOM 0 H SER A 85 -7.132 3.526 6.486 1.00 0.00 H new ATOM 0 HA SER A 85 -9.474 3.004 5.055 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.168 5.657 5.805 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.840 5.461 5.317 1.00 0.00 H new ATOM 0 HG SER A 85 -8.546 4.478 7.670 1.00 0.00 H new ATOM 1407 N HIS A 86 -7.166 4.578 3.281 1.00 0.00 N ATOM 1408 CA HIS A 86 -6.820 4.917 1.898 1.00 0.00 C ATOM 1409 C HIS A 86 -6.497 3.664 1.089 1.00 0.00 C ATOM 1410 O HIS A 86 -6.701 3.636 -0.125 1.00 0.00 O ATOM 1411 CB HIS A 86 -5.656 5.912 1.832 1.00 0.00 C ATOM 1412 CG HIS A 86 -6.031 7.293 2.274 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -6.889 8.106 1.563 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -5.671 8.000 3.366 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -7.038 9.252 2.201 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -6.311 9.212 3.299 1.00 0.00 N ATOM 0 H HIS A 86 -6.447 4.797 3.971 1.00 0.00 H new ATOM 0 HA HIS A 86 -7.694 5.397 1.457 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.840 5.548 2.456 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.281 5.955 0.809 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.002 7.672 4.148 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.651 10.081 1.878 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -6.236 9.961 3.988 1.00 0.00 H new ATOM 1425 N TYR A 87 -6.001 2.628 1.759 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.700 1.365 1.093 1.00 0.00 C ATOM 1427 C TYR A 87 -6.995 0.731 0.589 1.00 0.00 C ATOM 1428 O TYR A 87 -7.128 0.425 -0.594 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.975 0.404 2.055 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.417 -0.849 1.389 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.262 -1.829 0.873 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -3.044 -1.050 1.276 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.757 -2.962 0.268 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.533 -2.182 0.668 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.393 -3.136 0.167 1.00 0.00 C ATOM 1436 OH TYR A 87 -2.893 -4.261 -0.447 1.00 0.00 O ATOM 0 H TYR A 87 -5.800 2.638 2.759 1.00 0.00 H new ATOM 0 HA TYR A 87 -5.042 1.560 0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.157 0.940 2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.668 0.105 2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.332 -1.700 0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.365 -0.308 1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.429 -3.711 -0.125 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.465 -2.318 0.586 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.913 -4.140 -1.419 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.950 0.584 1.502 1.00 0.00 N ATOM 1447 CA GLU A 88 -9.222 -0.086 1.231 1.00 0.00 C ATOM 1448 C GLU A 88 -9.951 0.540 0.035 1.00 0.00 C ATOM 1449 O GLU A 88 -10.736 -0.126 -0.645 1.00 0.00 O ATOM 1450 CB GLU A 88 -10.102 -0.024 2.489 1.00 0.00 C ATOM 1451 CG GLU A 88 -11.405 -0.810 2.389 1.00 0.00 C ATOM 1452 CD GLU A 88 -12.210 -0.761 3.678 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -11.912 -1.544 4.602 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -13.129 0.075 3.786 1.00 0.00 O ATOM 0 H GLU A 88 -7.865 0.928 2.458 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.017 -1.125 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.529 -0.401 3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.337 1.019 2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.006 -0.410 1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.182 -1.848 2.142 1.00 0.00 H new ATOM 1461 N ARG A 89 -9.685 1.819 -0.222 1.00 0.00 N ATOM 1462 CA ARG A 89 -10.341 2.530 -1.319 1.00 0.00 C ATOM 1463 C ARG A 89 -9.469 2.544 -2.578 1.00 0.00 C ATOM 1464 O ARG A 89 -9.964 2.322 -3.687 1.00 0.00 O ATOM 1465 CB ARG A 89 -10.668 3.971 -0.902 1.00 0.00 C ATOM 1466 CG ARG A 89 -11.489 4.074 0.380 1.00 0.00 C ATOM 1467 CD ARG A 89 -12.786 3.273 0.302 1.00 0.00 C ATOM 1468 NE ARG A 89 -13.599 3.441 1.508 1.00 0.00 N ATOM 1469 CZ ARG A 89 -14.319 2.472 2.073 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -14.340 1.253 1.553 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -15.015 2.725 3.172 1.00 0.00 N ATOM 0 H ARG A 89 -9.023 2.383 0.311 1.00 0.00 H new ATOM 0 HA ARG A 89 -11.265 2.000 -1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.736 4.521 -0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.213 4.458 -1.711 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -10.894 3.717 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -11.722 5.120 0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.358 3.591 -0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.554 2.217 0.164 1.00 0.00 H new ATOM 0 HE ARG A 89 -13.616 4.362 1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.801 1.048 0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.895 0.520 1.994 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.998 3.659 3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.567 1.986 3.607 1.00 0.00 H new ATOM 1485 N ILE A 90 -8.175 2.799 -2.397 1.00 0.00 N ATOM 1486 CA ILE A 90 -7.257 3.016 -3.519 1.00 0.00 C ATOM 1487 C ILE A 90 -6.397 1.783 -3.812 1.00 0.00 C ATOM 1488 O ILE A 90 -6.398 1.267 -4.928 1.00 0.00 O ATOM 1489 CB ILE A 90 -6.327 4.233 -3.244 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -7.140 5.539 -3.206 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -5.205 4.327 -4.283 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -7.787 5.904 -4.529 1.00 0.00 C ATOM 0 H ILE A 90 -7.734 2.861 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.877 3.215 -4.393 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.865 4.083 -2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.917 5.449 -2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.485 6.354 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.575 5.188 -4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.603 3.419 -4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.638 4.441 -5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.341 6.836 -4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.016 6.028 -5.289 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.470 5.110 -4.831 1.00 0.00 H new ATOM 1504 N VAL A 91 -5.672 1.310 -2.807 1.00 0.00 N ATOM 1505 CA VAL A 91 -4.631 0.303 -3.022 1.00 0.00 C ATOM 1506 C VAL A 91 -5.181 -1.126 -2.910 1.00 0.00 C ATOM 1507 O VAL A 91 -4.483 -2.091 -3.215 1.00 0.00 O ATOM 1508 CB VAL A 91 -3.459 0.498 -2.019 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -2.253 -0.363 -2.396 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -3.062 1.972 -1.932 1.00 0.00 C ATOM 0 H VAL A 91 -5.782 1.604 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.261 0.441 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.805 0.174 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.452 -0.203 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.541 -1.414 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.906 -0.087 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.240 2.086 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.746 2.322 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.916 2.559 -1.594 1.00 0.00 H new ATOM 1520 N TYR A 92 -6.438 -1.265 -2.501 1.00 0.00 N ATOM 1521 CA TYR A 92 -7.034 -2.588 -2.309 1.00 0.00 C ATOM 1522 C TYR A 92 -7.045 -3.394 -3.627 1.00 0.00 C ATOM 1523 O TYR A 92 -6.700 -4.576 -3.625 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.449 -2.476 -1.711 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.848 -3.647 -0.817 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -8.058 -4.793 -0.723 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -10.014 -3.597 -0.059 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.422 -5.848 0.093 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.383 -4.650 0.758 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.585 -5.771 0.831 1.00 0.00 C ATOM 1531 OH TYR A 92 -9.957 -6.823 1.637 1.00 0.00 O ATOM 0 H TYR A 92 -7.063 -0.485 -2.296 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.414 -3.132 -1.596 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.514 -1.554 -1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.169 -2.394 -2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.146 -4.857 -1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.642 -2.720 -0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.799 -6.728 0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.293 -4.594 1.337 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.800 -6.607 2.088 1.00 0.00 H new ATOM 1541 N PRO A 93 -7.435 -2.781 -4.776 1.00 0.00 N ATOM 1542 CA PRO A 93 -7.314 -3.436 -6.090 1.00 0.00 C ATOM 1543 C PRO A 93 -5.889 -3.942 -6.355 1.00 0.00 C ATOM 1544 O PRO A 93 -5.689 -4.950 -7.042 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.694 -2.326 -7.082 1.00 0.00 C ATOM 1546 CG PRO A 93 -8.592 -1.426 -6.303 1.00 0.00 C ATOM 1547 CD PRO A 93 -8.064 -1.444 -4.892 1.00 0.00 C ATOM 0 HA PRO A 93 -7.946 -4.320 -6.168 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.813 -1.795 -7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.200 -2.732 -7.958 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.583 -0.415 -6.711 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.624 -1.776 -6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.342 -0.645 -4.723 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.863 -1.311 -4.163 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.901 -3.245 -5.791 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.503 -3.636 -5.945 1.00 0.00 C ATOM 1557 C TYR A 94 -3.214 -4.929 -5.193 1.00 0.00 C ATOM 1558 O TYR A 94 -2.333 -5.685 -5.589 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.554 -2.519 -5.480 1.00 0.00 C ATOM 1560 CG TYR A 94 -2.072 -1.623 -6.604 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -0.925 -1.948 -7.320 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -2.757 -0.464 -6.953 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -0.474 -1.145 -8.345 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -2.309 0.344 -7.978 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.168 0.001 -8.671 1.00 0.00 C ATOM 1566 OH TYR A 94 -0.719 0.800 -9.700 1.00 0.00 O ATOM 0 H TYR A 94 -5.045 -2.409 -5.225 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.325 -3.807 -7.007 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.063 -1.909 -4.734 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.691 -2.968 -4.990 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.378 -2.845 -7.068 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.653 -0.192 -6.414 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.419 -1.412 -8.891 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.851 1.242 -8.236 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.443 1.669 -9.342 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.953 -5.182 -4.113 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.846 -6.457 -3.405 1.00 0.00 C ATOM 1578 C GLU A 95 -4.321 -7.581 -4.325 1.00 0.00 C ATOM 1579 O GLU A 95 -3.670 -8.610 -4.454 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.664 -6.442 -2.103 1.00 0.00 C ATOM 1581 CG GLU A 95 -4.587 -7.745 -1.301 1.00 0.00 C ATOM 1582 CD GLU A 95 -3.168 -8.100 -0.860 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -2.446 -8.758 -1.639 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -2.781 -7.728 0.270 1.00 0.00 O ATOM 0 H GLU A 95 -4.626 -4.528 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.804 -6.623 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.315 -5.621 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.707 -6.237 -2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.223 -7.659 -0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.987 -8.559 -1.905 1.00 0.00 H new ATOM 1591 N MET A 96 -5.455 -7.355 -4.991 1.00 0.00 N ATOM 1592 CA MET A 96 -5.961 -8.303 -5.988 1.00 0.00 C ATOM 1593 C MET A 96 -4.899 -8.572 -7.054 1.00 0.00 C ATOM 1594 O MET A 96 -4.680 -9.718 -7.457 1.00 0.00 O ATOM 1595 CB MET A 96 -7.244 -7.768 -6.649 1.00 0.00 C ATOM 1596 CG MET A 96 -8.514 -8.010 -5.844 1.00 0.00 C ATOM 1597 SD MET A 96 -8.880 -9.768 -5.665 1.00 0.00 S ATOM 1598 CE MET A 96 -10.513 -9.711 -4.927 1.00 0.00 C ATOM 0 H MET A 96 -6.038 -6.529 -4.860 1.00 0.00 H new ATOM 0 HA MET A 96 -6.197 -9.237 -5.478 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.133 -6.697 -6.816 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.355 -8.233 -7.628 1.00 0.00 H new ATOM 0 HG2 MET A 96 -8.408 -7.560 -4.857 1.00 0.00 H new ATOM 0 HG3 MET A 96 -9.352 -7.514 -6.333 1.00 0.00 H new ATOM 0 HE1 MET A 96 -10.495 -10.222 -3.964 1.00 0.00 H new ATOM 0 HE2 MET A 96 -10.810 -8.673 -4.781 1.00 0.00 H new ATOM 0 HE3 MET A 96 -11.228 -10.204 -5.586 1.00 0.00 H new ATOM 1608 N TYR A 97 -4.244 -7.507 -7.498 1.00 0.00 N ATOM 1609 CA TYR A 97 -3.210 -7.601 -8.526 1.00 0.00 C ATOM 1610 C TYR A 97 -1.967 -8.340 -8.009 1.00 0.00 C ATOM 1611 O TYR A 97 -1.495 -9.292 -8.632 1.00 0.00 O ATOM 1612 CB TYR A 97 -2.840 -6.190 -9.006 1.00 0.00 C ATOM 1613 CG TYR A 97 -1.770 -6.147 -10.084 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -1.941 -6.813 -11.295 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.589 -5.435 -9.892 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -0.970 -6.771 -12.276 1.00 0.00 C ATOM 1617 CE2 TYR A 97 0.386 -5.390 -10.870 1.00 0.00 C ATOM 1618 CZ TYR A 97 0.191 -6.059 -12.060 1.00 0.00 C ATOM 1619 OH TYR A 97 1.162 -6.016 -13.038 1.00 0.00 O ATOM 0 H TYR A 97 -4.411 -6.559 -7.160 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.604 -8.178 -9.363 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.738 -5.703 -9.385 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.498 -5.608 -8.150 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.848 -7.372 -11.470 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.432 -4.909 -8.962 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.119 -7.294 -13.209 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.296 -4.834 -10.703 1.00 0.00 H new ATOM 0 HH TYR A 97 1.915 -5.471 -12.727 1.00 0.00 H new ATOM 1629 N GLN A 98 -1.460 -7.907 -6.860 1.00 0.00 N ATOM 1630 CA GLN A 98 -0.211 -8.432 -6.311 1.00 0.00 C ATOM 1631 C GLN A 98 -0.403 -9.860 -5.792 1.00 0.00 C ATOM 1632 O GLN A 98 0.384 -10.756 -6.117 1.00 0.00 O ATOM 1633 CB GLN A 98 0.313 -7.502 -5.206 1.00 0.00 C ATOM 1634 CG GLN A 98 1.727 -7.829 -4.734 1.00 0.00 C ATOM 1635 CD GLN A 98 2.348 -6.710 -3.908 1.00 0.00 C ATOM 1636 OE1 GLN A 98 1.653 -5.965 -3.221 1.00 0.00 O ATOM 1637 NE2 GLN A 98 3.663 -6.575 -3.985 1.00 0.00 N ATOM 0 H GLN A 98 -1.898 -7.187 -6.285 1.00 0.00 H new ATOM 0 HA GLN A 98 0.533 -8.469 -7.106 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.292 -6.475 -5.570 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.364 -7.552 -4.353 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.705 -8.743 -4.140 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.358 -8.027 -5.601 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.208 -7.212 -4.566 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.131 -5.834 -3.464 1.00 0.00 H new ATOM 1646 N SER A 99 -1.454 -10.075 -5.002 1.00 0.00 N ATOM 1647 CA SER A 99 -1.806 -11.417 -4.551 1.00 0.00 C ATOM 1648 C SER A 99 -2.128 -12.293 -5.759 1.00 0.00 C ATOM 1649 O SER A 99 -1.670 -13.431 -5.851 1.00 0.00 O ATOM 1650 CB SER A 99 -3.004 -11.375 -3.584 1.00 0.00 C ATOM 1651 OG SER A 99 -3.393 -12.678 -3.169 1.00 0.00 O ATOM 0 H SER A 99 -2.073 -9.339 -4.663 1.00 0.00 H new ATOM 0 HA SER A 99 -0.957 -11.841 -4.014 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.745 -10.777 -2.710 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.846 -10.882 -4.069 1.00 0.00 H new ATOM 0 HG SER A 99 -2.696 -13.321 -3.415 1.00 0.00 H new ATOM 1657 N GLY A 100 -2.869 -11.734 -6.714 1.00 0.00 N ATOM 1658 CA GLY A 100 -3.210 -12.470 -7.917 1.00 0.00 C ATOM 1659 C GLY A 100 -1.978 -12.868 -8.706 1.00 0.00 C ATOM 1660 O GLY A 100 -1.955 -13.914 -9.357 1.00 0.00 O ATOM 0 H GLY A 100 -3.239 -10.784 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.773 -13.364 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.861 -11.860 -8.543 1.00 0.00 H new ATOM 1664 N ALA A 101 -0.944 -12.035 -8.637 1.00 0.00 N ATOM 1665 CA ALA A 101 0.315 -12.311 -9.317 1.00 0.00 C ATOM 1666 C ALA A 101 1.109 -13.404 -8.597 1.00 0.00 C ATOM 1667 O ALA A 101 1.638 -14.315 -9.236 1.00 0.00 O ATOM 1668 CB ALA A 101 1.145 -11.036 -9.432 1.00 0.00 C ATOM 0 H ALA A 101 -0.955 -11.159 -8.114 1.00 0.00 H new ATOM 0 HA ALA A 101 0.084 -12.673 -10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.083 -11.257 -9.942 1.00 0.00 H new ATOM 0 HB2 ALA A 101 0.590 -10.290 -10.001 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.357 -10.648 -8.435 1.00 0.00 H new ATOM 1674 N ASN A 102 1.172 -13.317 -7.270 1.00 0.00 N ATOM 1675 CA ASN A 102 1.990 -14.239 -6.471 1.00 0.00 C ATOM 1676 C ASN A 102 1.197 -15.501 -6.107 1.00 0.00 C ATOM 1677 O ASN A 102 1.557 -16.609 -6.513 1.00 0.00 O ATOM 1678 CB ASN A 102 2.487 -13.527 -5.200 1.00 0.00 C ATOM 1679 CG ASN A 102 3.533 -14.324 -4.429 1.00 0.00 C ATOM 1680 OD1 ASN A 102 3.552 -15.553 -4.457 1.00 0.00 O ATOM 1681 ND2 ASN A 102 4.409 -13.622 -3.725 1.00 0.00 N ATOM 0 H ASN A 102 0.668 -12.620 -6.722 1.00 0.00 H new ATOM 0 HA ASN A 102 2.850 -14.546 -7.066 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.908 -12.560 -5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.637 -13.330 -4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.129 -14.101 -3.183 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.364 -12.603 -3.725 1.00 0.00 H new ATOM 1688 N LEU A 103 0.107 -15.323 -5.361 1.00 0.00 N ATOM 1689 CA LEU A 103 -0.774 -16.428 -4.972 1.00 0.00 C ATOM 1690 C LEU A 103 -2.088 -15.861 -4.437 1.00 0.00 C ATOM 1691 O LEU A 103 -2.091 -15.039 -3.516 1.00 0.00 O ATOM 1692 CB LEU A 103 -0.112 -17.360 -3.926 1.00 0.00 C ATOM 1693 CG LEU A 103 0.032 -16.812 -2.487 1.00 0.00 C ATOM 1694 CD1 LEU A 103 0.577 -17.892 -1.555 1.00 0.00 C ATOM 1695 CD2 LEU A 103 0.926 -15.575 -2.445 1.00 0.00 C ATOM 0 H LEU A 103 -0.191 -14.413 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.970 -17.036 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.691 -18.283 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.881 -17.624 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.960 -16.518 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.672 -17.489 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.106 -18.741 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.555 -18.218 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.004 -15.217 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.918 -15.830 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.495 -14.793 -3.070 1.00 0.00 H new ATOM 1707 N VAL A 104 -3.202 -16.273 -5.030 1.00 0.00 N ATOM 1708 CA VAL A 104 -4.500 -15.698 -4.697 1.00 0.00 C ATOM 1709 C VAL A 104 -5.173 -16.457 -3.549 1.00 0.00 C ATOM 1710 O VAL A 104 -5.636 -17.591 -3.709 1.00 0.00 O ATOM 1711 CB VAL A 104 -5.440 -15.643 -5.933 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -5.593 -17.017 -6.586 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -6.800 -15.065 -5.548 1.00 0.00 C ATOM 0 H VAL A 104 -3.233 -17.002 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.315 -14.675 -4.368 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.982 -14.983 -6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.257 -16.939 -7.447 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.617 -17.375 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.014 -17.718 -5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -7.444 -15.034 -6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.259 -15.692 -4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -6.669 -14.055 -5.159 1.00 0.00 H new ATOM 1723 N CYS A 105 -5.184 -15.834 -2.378 1.00 0.00 N ATOM 1724 CA CYS A 105 -5.880 -16.374 -1.213 1.00 0.00 C ATOM 1725 C CYS A 105 -6.762 -15.299 -0.581 1.00 0.00 C ATOM 1726 O CYS A 105 -7.457 -15.548 0.404 1.00 0.00 O ATOM 1727 CB CYS A 105 -4.864 -16.894 -0.190 1.00 0.00 C ATOM 1728 SG CYS A 105 -3.673 -15.648 0.363 1.00 0.00 S ATOM 0 H CYS A 105 -4.714 -14.945 -2.207 1.00 0.00 H new ATOM 0 HA CYS A 105 -6.513 -17.202 -1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.401 -17.279 0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.321 -17.732 -0.626 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.859 -16.179 1.226 1.00 0.00 H new ATOM 1734 N ASN A 106 -6.734 -14.107 -1.170 1.00 0.00 N ATOM 1735 CA ASN A 106 -7.422 -12.940 -0.613 1.00 0.00 C ATOM 1736 C ASN A 106 -8.880 -12.876 -1.070 1.00 0.00 C ATOM 1737 O ASN A 106 -9.714 -12.261 -0.417 1.00 0.00 O ATOM 1738 CB ASN A 106 -6.690 -11.656 -1.035 1.00 0.00 C ATOM 1739 CG ASN A 106 -6.740 -11.412 -2.537 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -6.834 -12.351 -3.338 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -6.669 -10.151 -2.934 1.00 0.00 N ATOM 0 H ASN A 106 -6.238 -13.920 -2.041 1.00 0.00 H new ATOM 0 HA ASN A 106 -7.414 -13.032 0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -7.133 -10.805 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.649 -11.715 -0.716 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.691 -9.928 -3.929 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.592 -9.403 -2.245 1.00 0.00 H new ATOM 1748 N THR A 107 -9.179 -13.546 -2.175 1.00 0.00 N ATOM 1749 CA THR A 107 -10.486 -13.445 -2.831 1.00 0.00 C ATOM 1750 C THR A 107 -11.671 -13.661 -1.871 1.00 0.00 C ATOM 1751 O THR A 107 -12.766 -13.142 -2.108 1.00 0.00 O ATOM 1752 CB THR A 107 -10.594 -14.448 -4.004 1.00 0.00 C ATOM 1753 OG1 THR A 107 -11.855 -14.302 -4.673 1.00 0.00 O ATOM 1754 CG2 THR A 107 -10.435 -15.885 -3.517 1.00 0.00 C ATOM 0 H THR A 107 -8.528 -14.175 -2.645 1.00 0.00 H new ATOM 0 HA THR A 107 -10.549 -12.423 -3.204 1.00 0.00 H new ATOM 0 HB THR A 107 -9.787 -14.228 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 107 -11.908 -14.942 -5.413 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.516 -16.567 -4.363 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.459 -16.004 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 107 -11.217 -16.112 -2.792 1.00 0.00 H new ATOM 1762 N ARG A 108 -11.466 -14.421 -0.796 1.00 0.00 N ATOM 1763 CA ARG A 108 -12.563 -14.752 0.120 1.00 0.00 C ATOM 1764 C ARG A 108 -12.542 -13.892 1.393 1.00 0.00 C ATOM 1765 O ARG A 108 -13.574 -13.317 1.754 1.00 0.00 O ATOM 1766 CB ARG A 108 -12.554 -16.257 0.448 1.00 0.00 C ATOM 1767 CG ARG A 108 -12.791 -17.129 -0.782 1.00 0.00 C ATOM 1768 CD ARG A 108 -12.739 -18.620 -0.470 1.00 0.00 C ATOM 1769 NE ARG A 108 -12.994 -19.418 -1.671 1.00 0.00 N ATOM 1770 CZ ARG A 108 -12.859 -20.742 -1.749 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -12.499 -21.451 -0.685 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -13.092 -21.361 -2.898 1.00 0.00 N ATOM 0 H ARG A 108 -10.562 -14.817 -0.537 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.498 -14.518 -0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.596 -16.521 0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.323 -16.467 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -13.763 -16.886 -1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.041 -16.895 -1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.762 -18.875 -0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.478 -18.861 0.294 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.297 -18.924 -2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.323 -20.983 0.204 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.399 -22.464 -0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.373 -20.824 -3.718 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.990 -22.374 -2.962 1.00 0.00 H new ATOM 1786 N PRO A 109 -11.398 -13.784 2.112 1.00 0.00 N ATOM 1787 CA PRO A 109 -11.300 -12.894 3.283 1.00 0.00 C ATOM 1788 C PRO A 109 -11.565 -11.433 2.909 1.00 0.00 C ATOM 1789 O PRO A 109 -12.011 -10.643 3.741 1.00 0.00 O ATOM 1790 CB PRO A 109 -9.856 -13.088 3.777 1.00 0.00 C ATOM 1791 CG PRO A 109 -9.430 -14.399 3.205 1.00 0.00 C ATOM 1792 CD PRO A 109 -10.134 -14.512 1.881 1.00 0.00 C ATOM 0 HA PRO A 109 -12.042 -13.132 4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -9.209 -12.279 3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -9.808 -13.097 4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.348 -14.438 3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.703 -15.222 3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.552 -14.064 1.075 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.312 -15.552 1.606 1.00 0.00 H new ATOM 1800 N PHE A 110 -11.298 -11.105 1.641 1.00 0.00 N ATOM 1801 CA PHE A 110 -11.539 -9.769 1.084 1.00 0.00 C ATOM 1802 C PHE A 110 -12.912 -9.247 1.497 1.00 0.00 C ATOM 1803 O PHE A 110 -13.026 -8.257 2.218 1.00 0.00 O ATOM 1804 CB PHE A 110 -11.448 -9.839 -0.454 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.443 -8.504 -1.166 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -12.567 -7.689 -1.174 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -10.312 -8.076 -1.846 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -12.561 -6.478 -1.840 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -10.301 -6.865 -2.513 1.00 0.00 C ATOM 1810 CZ PHE A 110 -11.426 -6.065 -2.511 1.00 0.00 C ATOM 0 H PHE A 110 -10.906 -11.763 0.967 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.784 -9.084 1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.540 -10.378 -0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -12.289 -10.426 -0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -13.458 -8.006 -0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -9.428 -8.697 -1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -13.443 -5.855 -1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -9.412 -6.545 -3.036 1.00 0.00 H new ATOM 0 HZ PHE A 110 -11.419 -5.119 -3.032 1.00 0.00 H new ATOM 1820 N ASP A 111 -13.952 -9.937 1.040 1.00 0.00 N ATOM 1821 CA ASP A 111 -15.328 -9.516 1.285 1.00 0.00 C ATOM 1822 C ASP A 111 -15.643 -9.495 2.775 1.00 0.00 C ATOM 1823 O ASP A 111 -16.436 -8.677 3.229 1.00 0.00 O ATOM 1824 CB ASP A 111 -16.313 -10.434 0.548 1.00 0.00 C ATOM 1825 CG ASP A 111 -16.230 -10.281 -0.962 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -15.326 -10.883 -1.576 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -17.059 -9.548 -1.540 1.00 0.00 O ATOM 0 H ASP A 111 -13.868 -10.795 0.495 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.437 -8.502 0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -16.110 -11.471 0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -17.328 -10.212 0.878 1.00 0.00 H new ATOM 1832 N ASN A 112 -15.007 -10.380 3.534 1.00 0.00 N ATOM 1833 CA ASN A 112 -15.249 -10.467 4.975 1.00 0.00 C ATOM 1834 C ASN A 112 -14.711 -9.224 5.684 1.00 0.00 C ATOM 1835 O ASN A 112 -15.374 -8.662 6.560 1.00 0.00 O ATOM 1836 CB ASN A 112 -14.616 -11.739 5.554 1.00 0.00 C ATOM 1837 CG ASN A 112 -14.844 -11.878 7.053 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -13.994 -11.513 7.865 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -16.000 -12.405 7.433 1.00 0.00 N ATOM 0 H ASN A 112 -14.321 -11.047 3.180 1.00 0.00 H new ATOM 0 HA ASN A 112 -16.325 -10.517 5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -15.030 -12.610 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -13.545 -11.731 5.353 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -16.207 -12.518 8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -16.682 -12.697 6.733 1.00 0.00 H new ATOM 1846 N GLU A 113 -13.520 -8.789 5.283 1.00 0.00 N ATOM 1847 CA GLU A 113 -12.902 -7.590 5.846 1.00 0.00 C ATOM 1848 C GLU A 113 -13.629 -6.342 5.333 1.00 0.00 C ATOM 1849 O GLU A 113 -13.773 -5.348 6.046 1.00 0.00 O ATOM 1850 CB GLU A 113 -11.409 -7.540 5.478 1.00 0.00 C ATOM 1851 CG GLU A 113 -10.637 -6.401 6.140 1.00 0.00 C ATOM 1852 CD GLU A 113 -10.543 -6.536 7.657 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -11.538 -6.253 8.355 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -9.464 -6.913 8.166 1.00 0.00 O ATOM 0 H GLU A 113 -12.960 -9.251 4.566 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.985 -7.620 6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.946 -8.487 5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.316 -7.446 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.631 -6.363 5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.119 -5.455 5.896 1.00 0.00 H new