USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=28 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 18 GLN : amide:sc= -1.52 X(o=-0.99,f=-0.6) USER MOD Set 1.2: A 97 TYR OH : rot 91:sc= 0.525 USER MOD Set 2.1: A 29 SER OG : rot 25:sc= 1.01 USER MOD Set 2.2: A 31 LYS NZ :NH3+ -148:sc= 1.22 (180deg=-0.162) USER MOD Set 3.1: A 15 TYR OH : rot 46:sc= -0.93 USER MOD Set 3.2: A 46 SER OG : rot -73:sc= 1.03 USER MOD Single : A 8 GLN : amide:sc= -0.866 K(o=-0.87,f=-3.8!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -118:sc= 0.475 (180deg=-1.69) USER MOD Single : A 14 ASN : amide:sc= -1.07 K(o=-1.1,f=-5.8!) USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.0179 (180deg=-0.203) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.411 F(o=-1.9!,f=-0.41) USER MOD Single : A 28 SER OG : rot 73:sc= 0.00355 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 43 TYR OH : rot 178:sc= 1.2 USER MOD Single : A 44 SER OG : rot 82:sc= 0.64 USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= -0.0732 (180deg=-0.403) USER MOD Single : A 55 TYR OH : rot -136:sc= -1.78! USER MOD Single : A 59 CYS SG : rot 7:sc= 1.51! USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= 1.19 (180deg=1.13) USER MOD Single : A 69 GLN : amide:sc= -0.645 K(o=-0.64,f=-1.7) USER MOD Single : A 72 ASN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0394) USER MOD Single : A 78 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.00052) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 80:sc= 0.75 USER MOD Single : A 86 HIS :FLIP no HE2:sc= -1.17 F(o=-3.3,f=-1.2) USER MOD Single : A 87 TYR OH : rot -71:sc= 0.621 USER MOD Single : A 92 TYR OH : rot -98:sc= 1.3 USER MOD Single : A 94 TYR OH : rot -116:sc= 0.184 USER MOD Single : A 96 MET CE :methyl 135:sc= 0 (180deg=-2.42!) USER MOD Single : A 98 GLN : amide:sc= -0.0428 X(o=-0.043,f=-0.39) USER MOD Single : A 99 SER OG : rot 158:sc= 0.854 USER MOD Single : A 102 ASN : amide:sc= -1.03 K(o=-1,f=-4.2!) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -3.42! C(o=-3.4!,f=-7.3!) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 112 ASN : amide:sc= 0.472 X(o=0.47,f=-0.005) USER MOD ----------------------------------------------------------------- ATOM 45 N GLU A 4 10.015 12.816 -2.656 1.00 0.00 N ATOM 46 CA GLU A 4 10.512 11.679 -1.877 1.00 0.00 C ATOM 47 C GLU A 4 10.470 10.389 -2.706 1.00 0.00 C ATOM 48 O GLU A 4 11.442 9.629 -2.741 1.00 0.00 O ATOM 49 CB GLU A 4 9.697 11.513 -0.579 1.00 0.00 C ATOM 50 CG GLU A 4 10.502 10.978 0.611 1.00 0.00 C ATOM 51 CD GLU A 4 11.147 9.619 0.360 1.00 0.00 C ATOM 52 OE1 GLU A 4 10.478 8.586 0.573 1.00 0.00 O ATOM 53 OE2 GLU A 4 12.327 9.575 -0.046 1.00 0.00 O ATOM 0 HA GLU A 4 11.550 11.879 -1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.269 12.478 -0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.864 10.837 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.281 11.698 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.845 10.903 1.477 1.00 0.00 H new ATOM 60 N LEU A 5 9.355 10.147 -3.391 1.00 0.00 N ATOM 61 CA LEU A 5 9.204 8.917 -4.167 1.00 0.00 C ATOM 62 C LEU A 5 9.779 9.089 -5.575 1.00 0.00 C ATOM 63 O LEU A 5 9.855 8.135 -6.345 1.00 0.00 O ATOM 64 CB LEU A 5 7.731 8.468 -4.230 1.00 0.00 C ATOM 65 CG LEU A 5 7.519 7.020 -4.721 1.00 0.00 C ATOM 66 CD1 LEU A 5 8.211 6.023 -3.792 1.00 0.00 C ATOM 67 CD2 LEU A 5 6.035 6.687 -4.847 1.00 0.00 C ATOM 0 H LEU A 5 8.553 10.776 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 5 9.767 8.134 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.292 8.569 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.187 9.144 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 5 7.968 6.941 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.047 5.010 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.281 6.231 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.799 6.116 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.921 5.660 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.554 6.797 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.569 7.366 -5.561 1.00 0.00 H new ATOM 79 N GLU A 6 10.182 10.311 -5.910 1.00 0.00 N ATOM 80 CA GLU A 6 10.851 10.578 -7.183 1.00 0.00 C ATOM 81 C GLU A 6 12.359 10.775 -6.958 1.00 0.00 C ATOM 82 O GLU A 6 13.134 10.897 -7.907 1.00 0.00 O ATOM 83 CB GLU A 6 10.237 11.822 -7.848 1.00 0.00 C ATOM 84 CG GLU A 6 10.634 12.000 -9.311 1.00 0.00 C ATOM 85 CD GLU A 6 10.075 13.274 -9.927 1.00 0.00 C ATOM 86 OE1 GLU A 6 8.845 13.365 -10.119 1.00 0.00 O ATOM 87 OE2 GLU A 6 10.873 14.186 -10.247 1.00 0.00 O ATOM 0 H GLU A 6 10.058 11.133 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 6 10.710 9.724 -7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.151 11.759 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.540 12.708 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.721 12.012 -9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.284 11.142 -9.884 1.00 0.00 H new ATOM 94 N ALA A 7 12.759 10.808 -5.685 1.00 0.00 N ATOM 95 CA ALA A 7 14.150 11.057 -5.301 1.00 0.00 C ATOM 96 C ALA A 7 15.103 9.970 -5.805 1.00 0.00 C ATOM 97 O ALA A 7 15.881 10.203 -6.732 1.00 0.00 O ATOM 98 CB ALA A 7 14.258 11.195 -3.784 1.00 0.00 C ATOM 0 H ALA A 7 12.131 10.664 -4.894 1.00 0.00 H new ATOM 0 HA ALA A 7 14.453 11.990 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.296 11.380 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.640 12.028 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.915 10.275 -3.310 1.00 0.00 H new ATOM 104 N GLN A 8 15.041 8.785 -5.195 1.00 0.00 N ATOM 105 CA GLN A 8 15.981 7.710 -5.520 1.00 0.00 C ATOM 106 C GLN A 8 15.771 7.220 -6.955 1.00 0.00 C ATOM 107 O GLN A 8 14.634 7.058 -7.404 1.00 0.00 O ATOM 108 CB GLN A 8 15.822 6.547 -4.531 1.00 0.00 C ATOM 109 CG GLN A 8 16.096 6.923 -3.078 1.00 0.00 C ATOM 110 CD GLN A 8 15.979 5.732 -2.139 1.00 0.00 C ATOM 111 OE1 GLN A 8 14.906 5.453 -1.600 1.00 0.00 O ATOM 112 NE2 GLN A 8 17.079 5.021 -1.945 1.00 0.00 N ATOM 0 H GLN A 8 14.355 8.546 -4.479 1.00 0.00 H new ATOM 0 HA GLN A 8 16.994 8.104 -5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.808 6.154 -4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.498 5.743 -4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 8 17.096 7.348 -2.998 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.395 7.697 -2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.947 5.287 -2.411 1.00 0.00 H new ATOM 0 HE22 GLN A 8 17.059 4.208 -1.330 1.00 0.00 H new ATOM 121 N THR A 9 16.869 6.925 -7.642 1.00 0.00 N ATOM 122 CA THR A 9 16.837 6.643 -9.074 1.00 0.00 C ATOM 123 C THR A 9 16.837 5.140 -9.366 1.00 0.00 C ATOM 124 O THR A 9 17.423 4.348 -8.627 1.00 0.00 O ATOM 125 CB THR A 9 18.042 7.305 -9.785 1.00 0.00 C ATOM 126 OG1 THR A 9 18.103 8.697 -9.438 1.00 0.00 O ATOM 127 CG2 THR A 9 17.944 7.167 -11.304 1.00 0.00 C ATOM 0 H THR A 9 17.799 6.875 -7.227 1.00 0.00 H new ATOM 0 HA THR A 9 15.907 7.062 -9.458 1.00 0.00 H new ATOM 0 HB THR A 9 18.946 6.795 -9.454 1.00 0.00 H new ATOM 0 HG1 THR A 9 18.868 9.113 -9.888 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.807 7.643 -11.769 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.924 6.111 -11.573 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.031 7.648 -11.655 1.00 0.00 H new ATOM 135 N ARG A 10 16.130 4.773 -10.438 1.00 0.00 N ATOM 136 CA ARG A 10 16.048 3.396 -10.947 1.00 0.00 C ATOM 137 C ARG A 10 15.481 2.412 -9.912 1.00 0.00 C ATOM 138 O ARG A 10 15.390 1.208 -10.165 1.00 0.00 O ATOM 139 CB ARG A 10 17.442 2.935 -11.414 1.00 0.00 C ATOM 140 CG ARG A 10 17.452 1.610 -12.173 1.00 0.00 C ATOM 141 CD ARG A 10 18.869 1.145 -12.484 1.00 0.00 C ATOM 142 NE ARG A 10 19.623 2.136 -13.257 1.00 0.00 N ATOM 143 CZ ARG A 10 20.384 1.845 -14.313 1.00 0.00 C ATOM 144 NH1 ARG A 10 20.467 0.596 -14.761 1.00 0.00 N ATOM 145 NH2 ARG A 10 21.058 2.805 -14.930 1.00 0.00 N ATOM 0 H ARG A 10 15.586 5.437 -10.990 1.00 0.00 H new ATOM 0 HA ARG A 10 15.354 3.400 -11.788 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.871 3.708 -12.052 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.091 2.845 -10.543 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.942 0.849 -11.582 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.894 1.720 -13.103 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.394 0.939 -11.551 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.828 0.209 -13.040 1.00 0.00 H new ATOM 0 HE ARG A 10 19.562 3.112 -12.968 1.00 0.00 H new ATOM 0 HH11 ARG A 10 19.946 -0.148 -14.297 1.00 0.00 H new ATOM 0 HH12 ARG A 10 21.051 0.382 -15.569 1.00 0.00 H new ATOM 0 HH21 ARG A 10 20.995 3.767 -14.597 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.640 2.582 -15.737 1.00 0.00 H new ATOM 159 N VAL A 11 15.079 2.921 -8.756 1.00 0.00 N ATOM 160 CA VAL A 11 14.332 2.131 -7.791 1.00 0.00 C ATOM 161 C VAL A 11 12.918 2.677 -7.655 1.00 0.00 C ATOM 162 O VAL A 11 11.937 1.956 -7.838 1.00 0.00 O ATOM 163 CB VAL A 11 15.044 2.066 -6.408 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.395 3.458 -5.892 1.00 0.00 C ATOM 165 CG2 VAL A 11 14.191 1.310 -5.388 1.00 0.00 C ATOM 0 H VAL A 11 15.259 3.882 -8.464 1.00 0.00 H new ATOM 0 HA VAL A 11 14.282 1.108 -8.164 1.00 0.00 H new ATOM 0 HB VAL A 11 15.977 1.519 -6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.891 3.373 -4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.062 3.951 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.484 4.046 -5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.711 1.279 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.235 1.818 -5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.019 0.293 -5.740 1.00 0.00 H new ATOM 175 N LYS A 12 12.821 3.969 -7.366 1.00 0.00 N ATOM 176 CA LYS A 12 11.534 4.610 -7.148 1.00 0.00 C ATOM 177 C LYS A 12 10.929 5.079 -8.468 1.00 0.00 C ATOM 178 O LYS A 12 9.713 5.146 -8.601 1.00 0.00 O ATOM 179 CB LYS A 12 11.683 5.778 -6.164 1.00 0.00 C ATOM 180 CG LYS A 12 11.902 5.342 -4.714 1.00 0.00 C ATOM 181 CD LYS A 12 11.987 6.540 -3.766 1.00 0.00 C ATOM 182 CE LYS A 12 11.870 6.125 -2.302 1.00 0.00 C ATOM 183 NZ LYS A 12 11.880 7.303 -1.392 1.00 0.00 N ATOM 0 H LYS A 12 13.622 4.594 -7.277 1.00 0.00 H new ATOM 0 HA LYS A 12 10.852 3.879 -6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.522 6.399 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.789 6.400 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.085 4.690 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.820 4.758 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.934 7.057 -3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.194 7.248 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.949 5.561 -2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.695 5.460 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.706 7.248 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.932 8.176 -1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.010 7.309 -0.823 1.00 0.00 H new ATOM 197 N LEU A 13 11.782 5.372 -9.452 1.00 0.00 N ATOM 198 CA LEU A 13 11.310 5.835 -10.759 1.00 0.00 C ATOM 199 C LEU A 13 10.633 4.701 -11.527 1.00 0.00 C ATOM 200 O LEU A 13 9.596 4.904 -12.162 1.00 0.00 O ATOM 201 CB LEU A 13 12.467 6.434 -11.585 1.00 0.00 C ATOM 202 CG LEU A 13 12.809 7.907 -11.278 1.00 0.00 C ATOM 203 CD1 LEU A 13 13.178 8.096 -9.810 1.00 0.00 C ATOM 204 CD2 LEU A 13 13.937 8.399 -12.184 1.00 0.00 C ATOM 0 H LEU A 13 12.796 5.298 -9.370 1.00 0.00 H new ATOM 0 HA LEU A 13 10.573 6.620 -10.588 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.359 5.830 -11.420 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.217 6.350 -12.643 1.00 0.00 H new ATOM 0 HG LEU A 13 11.919 8.504 -11.478 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.414 9.144 -9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.338 7.797 -9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.046 7.482 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.163 9.440 -11.951 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.826 7.790 -12.022 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.628 8.319 -13.226 1.00 0.00 H new ATOM 216 N ASN A 14 11.212 3.504 -11.457 1.00 0.00 N ATOM 217 CA ASN A 14 10.638 2.340 -12.132 1.00 0.00 C ATOM 218 C ASN A 14 9.293 1.994 -11.499 1.00 0.00 C ATOM 219 O ASN A 14 8.288 1.788 -12.195 1.00 0.00 O ATOM 220 CB ASN A 14 11.592 1.137 -12.048 1.00 0.00 C ATOM 221 CG ASN A 14 12.946 1.413 -12.686 1.00 0.00 C ATOM 222 OD1 ASN A 14 13.429 2.545 -12.686 1.00 0.00 O ATOM 223 ND2 ASN A 14 13.569 0.379 -13.231 1.00 0.00 N ATOM 0 H ASN A 14 12.073 3.314 -10.943 1.00 0.00 H new ATOM 0 HA ASN A 14 10.489 2.581 -13.185 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.737 0.866 -11.002 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.132 0.279 -12.539 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.481 0.507 -13.670 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.137 -0.545 -13.212 1.00 0.00 H new ATOM 230 N TYR A 15 9.289 1.967 -10.167 1.00 0.00 N ATOM 231 CA TYR A 15 8.086 1.692 -9.389 1.00 0.00 C ATOM 232 C TYR A 15 7.028 2.756 -9.670 1.00 0.00 C ATOM 233 O TYR A 15 5.854 2.442 -9.833 1.00 0.00 O ATOM 234 CB TYR A 15 8.432 1.668 -7.892 1.00 0.00 C ATOM 235 CG TYR A 15 7.323 1.154 -6.984 1.00 0.00 C ATOM 236 CD1 TYR A 15 7.178 -0.211 -6.743 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.439 2.026 -6.353 1.00 0.00 C ATOM 238 CE1 TYR A 15 6.187 -0.687 -5.907 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.444 1.554 -5.517 1.00 0.00 C ATOM 240 CZ TYR A 15 5.324 0.197 -5.297 1.00 0.00 C ATOM 241 OH TYR A 15 4.338 -0.277 -4.462 1.00 0.00 O ATOM 0 H TYR A 15 10.119 2.135 -9.599 1.00 0.00 H new ATOM 0 HA TYR A 15 7.687 0.719 -9.676 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.316 1.047 -7.749 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.698 2.678 -7.580 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.852 -0.908 -7.218 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.532 3.089 -6.520 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.089 -1.748 -5.732 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.764 2.244 -5.039 1.00 0.00 H new ATOM 0 HH TYR A 15 4.719 -0.941 -3.850 1.00 0.00 H new ATOM 251 N LEU A 16 7.471 4.013 -9.732 1.00 0.00 N ATOM 252 CA LEU A 16 6.592 5.147 -10.023 1.00 0.00 C ATOM 253 C LEU A 16 5.885 4.928 -11.357 1.00 0.00 C ATOM 254 O LEU A 16 4.662 5.020 -11.449 1.00 0.00 O ATOM 255 CB LEU A 16 7.419 6.454 -10.048 1.00 0.00 C ATOM 256 CG LEU A 16 6.635 7.788 -10.051 1.00 0.00 C ATOM 257 CD1 LEU A 16 7.571 8.948 -9.715 1.00 0.00 C ATOM 258 CD2 LEU A 16 5.954 8.045 -11.398 1.00 0.00 C ATOM 0 H LEU A 16 8.446 4.273 -9.582 1.00 0.00 H new ATOM 0 HA LEU A 16 5.835 5.230 -9.243 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.079 6.452 -9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.055 6.434 -10.933 1.00 0.00 H new ATOM 0 HG LEU A 16 5.857 7.713 -9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.009 9.882 -9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.005 8.791 -8.728 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.367 9.000 -10.458 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.414 8.991 -11.358 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.708 8.090 -12.184 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.254 7.237 -11.612 1.00 0.00 H new ATOM 270 N ASP A 17 6.667 4.619 -12.383 1.00 0.00 N ATOM 271 CA ASP A 17 6.139 4.434 -13.729 1.00 0.00 C ATOM 272 C ASP A 17 5.106 3.304 -13.774 1.00 0.00 C ATOM 273 O ASP A 17 4.025 3.467 -14.343 1.00 0.00 O ATOM 274 CB ASP A 17 7.282 4.149 -14.711 1.00 0.00 C ATOM 275 CG ASP A 17 6.788 3.928 -16.132 1.00 0.00 C ATOM 276 OD1 ASP A 17 6.400 4.918 -16.792 1.00 0.00 O ATOM 277 OD2 ASP A 17 6.803 2.767 -16.599 1.00 0.00 O ATOM 0 H ASP A 17 7.676 4.490 -12.308 1.00 0.00 H new ATOM 0 HA ASP A 17 5.638 5.356 -14.023 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.983 4.983 -14.699 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.830 3.267 -14.379 1.00 0.00 H new ATOM 282 N GLN A 18 5.437 2.170 -13.158 1.00 0.00 N ATOM 283 CA GLN A 18 4.541 1.010 -13.156 1.00 0.00 C ATOM 284 C GLN A 18 3.272 1.327 -12.356 1.00 0.00 C ATOM 285 O GLN A 18 2.149 1.168 -12.854 1.00 0.00 O ATOM 286 CB GLN A 18 5.264 -0.223 -12.570 1.00 0.00 C ATOM 287 CG GLN A 18 4.665 -1.575 -12.980 1.00 0.00 C ATOM 288 CD GLN A 18 3.287 -1.868 -12.394 1.00 0.00 C ATOM 289 OE1 GLN A 18 2.469 -2.547 -13.020 1.00 0.00 O ATOM 290 NE2 GLN A 18 3.025 -1.389 -11.185 1.00 0.00 N ATOM 0 H GLN A 18 6.313 2.028 -12.656 1.00 0.00 H new ATOM 0 HA GLN A 18 4.254 0.782 -14.182 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.309 -0.195 -12.880 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.252 -0.151 -11.482 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.597 -1.612 -14.067 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.349 -2.367 -12.676 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.724 -0.831 -10.695 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.124 -1.579 -10.745 1.00 0.00 H new ATOM 299 N ILE A 19 3.476 1.799 -11.122 1.00 0.00 N ATOM 300 CA ILE A 19 2.380 2.094 -10.196 1.00 0.00 C ATOM 301 C ILE A 19 1.463 3.159 -10.796 1.00 0.00 C ATOM 302 O ILE A 19 0.264 3.203 -10.506 1.00 0.00 O ATOM 303 CB ILE A 19 2.918 2.577 -8.809 1.00 0.00 C ATOM 304 CG1 ILE A 19 1.890 2.324 -7.692 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.307 4.055 -8.838 1.00 0.00 C ATOM 306 CD1 ILE A 19 1.797 0.873 -7.276 1.00 0.00 C ATOM 0 H ILE A 19 4.402 1.986 -10.739 1.00 0.00 H new ATOM 0 HA ILE A 19 1.817 1.174 -10.038 1.00 0.00 H new ATOM 0 HB ILE A 19 3.814 1.993 -8.596 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.154 2.927 -6.823 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.909 2.661 -8.028 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.676 4.353 -7.857 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.088 4.211 -9.582 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.435 4.656 -9.096 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.054 0.768 -6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.503 0.267 -8.133 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.767 0.537 -6.909 1.00 0.00 H new ATOM 318 N ALA A 20 2.043 4.013 -11.636 1.00 0.00 N ATOM 319 CA ALA A 20 1.289 5.045 -12.327 1.00 0.00 C ATOM 320 C ALA A 20 0.456 4.433 -13.444 1.00 0.00 C ATOM 321 O ALA A 20 -0.762 4.505 -13.415 1.00 0.00 O ATOM 322 CB ALA A 20 2.224 6.116 -12.881 1.00 0.00 C ATOM 0 H ALA A 20 3.040 4.007 -11.853 1.00 0.00 H new ATOM 0 HA ALA A 20 0.616 5.518 -11.611 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.639 6.879 -13.395 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.779 6.574 -12.062 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.923 5.661 -13.583 1.00 0.00 H new ATOM 328 N LYS A 21 1.121 3.798 -14.407 1.00 0.00 N ATOM 329 CA LYS A 21 0.450 3.267 -15.596 1.00 0.00 C ATOM 330 C LYS A 21 -0.710 2.337 -15.242 1.00 0.00 C ATOM 331 O LYS A 21 -1.842 2.564 -15.679 1.00 0.00 O ATOM 332 CB LYS A 21 1.454 2.527 -16.501 1.00 0.00 C ATOM 333 CG LYS A 21 2.453 3.429 -17.235 1.00 0.00 C ATOM 334 CD LYS A 21 1.860 4.079 -18.495 1.00 0.00 C ATOM 335 CE LYS A 21 0.989 5.295 -18.190 1.00 0.00 C ATOM 336 NZ LYS A 21 1.783 6.431 -17.644 1.00 0.00 N ATOM 0 H LYS A 21 2.128 3.637 -14.388 1.00 0.00 H new ATOM 0 HA LYS A 21 0.038 4.121 -16.133 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.010 1.814 -15.893 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.897 1.950 -17.240 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.796 4.210 -16.556 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.328 2.842 -17.513 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.672 4.378 -19.158 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.266 3.340 -19.032 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.480 5.613 -19.100 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.216 5.016 -17.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.218 7.303 -17.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.037 6.234 -16.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.650 6.551 -18.206 1.00 0.00 H new ATOM 350 N PHE A 22 -0.433 1.306 -14.444 1.00 0.00 N ATOM 351 CA PHE A 22 -1.437 0.281 -14.141 1.00 0.00 C ATOM 352 C PHE A 22 -2.710 0.897 -13.558 1.00 0.00 C ATOM 353 O PHE A 22 -3.820 0.486 -13.898 1.00 0.00 O ATOM 354 CB PHE A 22 -0.870 -0.770 -13.170 1.00 0.00 C ATOM 355 CG PHE A 22 -1.894 -1.781 -12.697 1.00 0.00 C ATOM 356 CD1 PHE A 22 -2.208 -2.894 -13.465 1.00 0.00 C ATOM 357 CD2 PHE A 22 -2.547 -1.610 -11.483 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.149 -3.811 -13.029 1.00 0.00 C ATOM 359 CE2 PHE A 22 -3.486 -2.523 -11.042 1.00 0.00 C ATOM 360 CZ PHE A 22 -3.787 -3.625 -11.816 1.00 0.00 C ATOM 0 H PHE A 22 0.472 1.157 -13.997 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.695 -0.208 -15.081 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.051 -1.298 -13.658 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.449 -0.261 -12.303 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.713 -3.046 -14.413 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.317 -0.749 -10.873 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.385 -4.672 -13.636 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.983 -2.374 -10.095 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.520 -4.341 -11.475 1.00 0.00 H new ATOM 370 N TRP A 23 -2.542 1.892 -12.698 1.00 0.00 N ATOM 371 CA TRP A 23 -3.663 2.476 -11.967 1.00 0.00 C ATOM 372 C TRP A 23 -4.241 3.689 -12.699 1.00 0.00 C ATOM 373 O TRP A 23 -5.443 3.953 -12.620 1.00 0.00 O ATOM 374 CB TRP A 23 -3.211 2.854 -10.551 1.00 0.00 C ATOM 375 CG TRP A 23 -4.300 3.426 -9.689 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.244 4.579 -8.966 1.00 0.00 C ATOM 377 CD2 TRP A 23 -5.607 2.876 -9.464 1.00 0.00 C ATOM 378 NE1 TRP A 23 -5.429 4.782 -8.305 1.00 0.00 N ATOM 379 CE2 TRP A 23 -6.282 3.752 -8.593 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.269 1.732 -9.913 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -7.587 3.517 -8.165 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -7.563 1.500 -9.490 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.212 2.389 -8.623 1.00 0.00 C ATOM 0 H TRP A 23 -1.638 2.314 -12.488 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.458 1.733 -11.902 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.804 1.968 -10.063 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.400 3.579 -10.622 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.390 5.238 -8.920 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -5.640 5.573 -7.697 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -5.777 1.040 -10.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.088 4.201 -7.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.084 0.618 -9.833 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.224 2.180 -8.310 1.00 0.00 H new ATOM 394 N GLU A 24 -3.397 4.401 -13.438 1.00 0.00 N ATOM 395 CA GLU A 24 -3.811 5.630 -14.112 1.00 0.00 C ATOM 396 C GLU A 24 -4.697 5.289 -15.307 1.00 0.00 C ATOM 397 O GLU A 24 -5.607 6.037 -15.663 1.00 0.00 O ATOM 398 CB GLU A 24 -2.579 6.430 -14.571 1.00 0.00 C ATOM 399 CG GLU A 24 -2.872 7.861 -15.010 1.00 0.00 C ATOM 400 CD GLU A 24 -3.355 8.751 -13.870 1.00 0.00 C ATOM 401 OE1 GLU A 24 -2.650 8.848 -12.841 1.00 0.00 O ATOM 402 OE2 GLU A 24 -4.436 9.365 -14.003 1.00 0.00 O ATOM 0 H GLU A 24 -2.420 4.149 -13.587 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.379 6.244 -13.413 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.856 6.456 -13.756 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.107 5.900 -15.399 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.970 8.293 -15.443 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.627 7.846 -15.796 1.00 0.00 H new ATOM 409 N ILE A 25 -4.423 4.142 -15.919 1.00 0.00 N ATOM 410 CA ILE A 25 -5.196 3.671 -17.064 1.00 0.00 C ATOM 411 C ILE A 25 -6.355 2.783 -16.589 1.00 0.00 C ATOM 412 O ILE A 25 -7.199 2.358 -17.378 1.00 0.00 O ATOM 413 CB ILE A 25 -4.290 2.895 -18.062 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.027 3.717 -18.390 1.00 0.00 C ATOM 415 CG2 ILE A 25 -5.047 2.552 -19.346 1.00 0.00 C ATOM 416 CD1 ILE A 25 -3.312 5.078 -18.998 1.00 0.00 C ATOM 0 H ILE A 25 -3.667 3.517 -15.639 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.606 4.537 -17.583 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.991 1.961 -17.587 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.448 3.853 -17.476 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.405 3.147 -19.079 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.387 2.010 -20.024 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.909 1.931 -19.105 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.384 3.471 -19.826 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.371 5.591 -19.199 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.863 4.952 -19.930 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.907 5.670 -18.302 1.00 0.00 H new ATOM 428 N GLN A 26 -6.413 2.544 -15.279 1.00 0.00 N ATOM 429 CA GLN A 26 -7.458 1.709 -14.679 1.00 0.00 C ATOM 430 C GLN A 26 -8.735 2.536 -14.454 1.00 0.00 C ATOM 431 O GLN A 26 -9.493 2.298 -13.510 1.00 0.00 O ATOM 432 CB GLN A 26 -6.944 1.115 -13.351 1.00 0.00 C ATOM 433 CG GLN A 26 -7.386 -0.326 -13.084 1.00 0.00 C ATOM 434 CD GLN A 26 -8.891 -0.488 -12.941 1.00 0.00 C ATOM 435 OE1 GLN A 26 -9.392 -0.356 -11.722 1.00 0.00 O flip ATOM 436 NE2 GLN A 26 -9.597 -0.731 -13.918 1.00 0.00 N flip ATOM 0 H GLN A 26 -5.744 2.919 -14.607 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.702 0.891 -15.356 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.855 1.153 -13.349 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.287 1.744 -12.530 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.037 -0.960 -13.899 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.903 -0.682 -12.174 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.175 -0.826 -14.842 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.605 -0.838 -13.805 1.00 0.00 H new ATOM 445 N GLY A 27 -8.974 3.500 -15.343 1.00 0.00 N ATOM 446 CA GLY A 27 -10.138 4.366 -15.229 1.00 0.00 C ATOM 447 C GLY A 27 -10.110 5.216 -13.972 1.00 0.00 C ATOM 448 O GLY A 27 -11.150 5.688 -13.508 1.00 0.00 O ATOM 0 H GLY A 27 -8.377 3.697 -16.146 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.190 5.016 -16.102 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.042 3.757 -15.231 1.00 0.00 H new ATOM 452 N SER A 28 -8.913 5.414 -13.429 1.00 0.00 N ATOM 453 CA SER A 28 -8.729 6.169 -12.195 1.00 0.00 C ATOM 454 C SER A 28 -7.402 6.919 -12.237 1.00 0.00 C ATOM 455 O SER A 28 -6.577 6.674 -13.116 1.00 0.00 O ATOM 456 CB SER A 28 -8.761 5.213 -10.995 1.00 0.00 C ATOM 457 OG SER A 28 -9.944 4.431 -11.000 1.00 0.00 O ATOM 0 H SER A 28 -8.046 5.057 -13.831 1.00 0.00 H new ATOM 0 HA SER A 28 -9.537 6.894 -12.093 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.889 4.560 -11.022 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.702 5.784 -10.069 1.00 0.00 H new ATOM 0 HG SER A 28 -9.888 3.758 -11.710 1.00 0.00 H new ATOM 463 N SER A 29 -7.207 7.841 -11.304 1.00 0.00 N ATOM 464 CA SER A 29 -5.957 8.580 -11.203 1.00 0.00 C ATOM 465 C SER A 29 -5.148 8.088 -10.006 1.00 0.00 C ATOM 466 O SER A 29 -5.717 7.639 -9.004 1.00 0.00 O ATOM 467 CB SER A 29 -6.246 10.083 -11.087 1.00 0.00 C ATOM 468 OG SER A 29 -7.230 10.349 -10.098 1.00 0.00 O ATOM 0 H SER A 29 -7.903 8.096 -10.603 1.00 0.00 H new ATOM 0 HA SER A 29 -5.368 8.410 -12.104 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.327 10.613 -10.839 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.584 10.465 -12.050 1.00 0.00 H new ATOM 0 HG SER A 29 -7.233 9.626 -9.437 1.00 0.00 H new ATOM 474 N LEU A 30 -3.825 8.146 -10.120 1.00 0.00 N ATOM 475 CA LEU A 30 -2.950 7.720 -9.035 1.00 0.00 C ATOM 476 C LEU A 30 -3.068 8.677 -7.849 1.00 0.00 C ATOM 477 O LEU A 30 -2.450 9.745 -7.822 1.00 0.00 O ATOM 478 CB LEU A 30 -1.496 7.618 -9.514 1.00 0.00 C ATOM 479 CG LEU A 30 -0.496 7.078 -8.474 1.00 0.00 C ATOM 480 CD1 LEU A 30 -0.930 5.706 -7.957 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.904 7.008 -9.073 1.00 0.00 C ATOM 0 H LEU A 30 -3.337 8.483 -10.950 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.264 6.729 -8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.465 6.973 -10.392 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.165 8.607 -9.832 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.479 7.765 -7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.207 5.348 -7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.911 5.787 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.982 5.004 -8.789 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.600 6.625 -8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.897 6.344 -9.938 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.217 8.005 -9.383 1.00 0.00 H new ATOM 493 N LYS A 31 -3.898 8.293 -6.886 1.00 0.00 N ATOM 494 CA LYS A 31 -4.151 9.108 -5.705 1.00 0.00 C ATOM 495 C LYS A 31 -3.347 8.594 -4.514 1.00 0.00 C ATOM 496 O LYS A 31 -3.788 7.695 -3.796 1.00 0.00 O ATOM 497 CB LYS A 31 -5.651 9.110 -5.373 1.00 0.00 C ATOM 498 CG LYS A 31 -6.536 9.575 -6.526 1.00 0.00 C ATOM 499 CD LYS A 31 -8.013 9.577 -6.145 1.00 0.00 C ATOM 500 CE LYS A 31 -8.903 9.956 -7.323 1.00 0.00 C ATOM 501 NZ LYS A 31 -8.553 11.288 -7.883 1.00 0.00 N ATOM 0 H LYS A 31 -4.412 7.412 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.836 10.130 -5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.950 8.104 -5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.822 9.756 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.238 10.578 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.384 8.923 -7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.295 8.590 -5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.176 10.278 -5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.812 9.200 -8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.945 9.960 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.411 11.745 -8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.140 11.881 -7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.863 11.171 -8.652 1.00 0.00 H new ATOM 515 N ILE A 32 -2.155 9.147 -4.331 1.00 0.00 N ATOM 516 CA ILE A 32 -1.307 8.816 -3.190 1.00 0.00 C ATOM 517 C ILE A 32 -1.052 10.071 -2.348 1.00 0.00 C ATOM 518 O ILE A 32 -0.188 10.888 -2.671 1.00 0.00 O ATOM 519 CB ILE A 32 0.033 8.164 -3.635 1.00 0.00 C ATOM 520 CG1 ILE A 32 0.680 8.965 -4.783 1.00 0.00 C ATOM 521 CG2 ILE A 32 -0.193 6.707 -4.047 1.00 0.00 C ATOM 522 CD1 ILE A 32 1.948 8.338 -5.325 1.00 0.00 C ATOM 0 H ILE A 32 -1.749 9.835 -4.965 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.832 8.080 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 32 0.719 8.179 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.040 9.066 -5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.905 9.971 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.754 6.265 -4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.596 6.148 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.899 6.669 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.345 8.957 -6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.686 8.262 -4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.726 7.343 -5.710 1.00 0.00 H new ATOM 534 N PRO A 33 -1.850 10.257 -1.275 1.00 0.00 N ATOM 535 CA PRO A 33 -1.791 11.455 -0.424 1.00 0.00 C ATOM 536 C PRO A 33 -0.545 11.501 0.461 1.00 0.00 C ATOM 537 O PRO A 33 0.318 10.620 0.399 1.00 0.00 O ATOM 538 CB PRO A 33 -3.062 11.348 0.449 1.00 0.00 C ATOM 539 CG PRO A 33 -3.870 10.243 -0.154 1.00 0.00 C ATOM 540 CD PRO A 33 -2.882 9.324 -0.809 1.00 0.00 C ATOM 0 HA PRO A 33 -1.740 12.363 -1.025 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.808 11.128 1.486 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.618 12.286 0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.446 9.719 0.609 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.583 10.632 -0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.482 8.591 -0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.329 8.767 -1.633 1.00 0.00 H new ATOM 548 N ASN A 34 -0.472 12.532 1.298 1.00 0.00 N ATOM 549 CA ASN A 34 0.626 12.692 2.238 1.00 0.00 C ATOM 550 C ASN A 34 0.091 12.797 3.647 1.00 0.00 C ATOM 551 O ASN A 34 -1.078 13.125 3.868 1.00 0.00 O ATOM 552 CB ASN A 34 1.473 13.934 1.917 1.00 0.00 C ATOM 553 CG ASN A 34 0.745 15.242 2.205 1.00 0.00 C ATOM 554 OD1 ASN A 34 0.780 15.755 3.326 1.00 0.00 O ATOM 555 ND2 ASN A 34 0.084 15.796 1.200 1.00 0.00 N ATOM 0 H ASN A 34 -1.170 13.275 1.342 1.00 0.00 H new ATOM 0 HA ASN A 34 1.265 11.813 2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.393 13.900 2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.761 13.909 0.866 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.416 16.674 1.341 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.075 15.345 0.285 1.00 0.00 H new ATOM 562 N VAL A 35 0.959 12.509 4.591 1.00 0.00 N ATOM 563 CA VAL A 35 0.634 12.607 5.994 1.00 0.00 C ATOM 564 C VAL A 35 1.914 12.831 6.800 1.00 0.00 C ATOM 565 O VAL A 35 2.948 12.216 6.516 1.00 0.00 O ATOM 566 CB VAL A 35 -0.117 11.342 6.494 1.00 0.00 C ATOM 567 CG1 VAL A 35 0.740 10.089 6.328 1.00 0.00 C ATOM 568 CG2 VAL A 35 -0.574 11.511 7.943 1.00 0.00 C ATOM 0 H VAL A 35 1.913 12.199 4.405 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.034 13.456 6.136 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.007 11.218 5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.188 9.220 6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.986 9.953 5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.659 10.198 6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.097 10.611 8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.294 11.676 8.581 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.246 12.366 8.015 1.00 0.00 H new ATOM 578 N GLU A 36 1.858 13.752 7.764 1.00 0.00 N ATOM 579 CA GLU A 36 3.001 14.050 8.632 1.00 0.00 C ATOM 580 C GLU A 36 4.192 14.581 7.833 1.00 0.00 C ATOM 581 O GLU A 36 5.337 14.496 8.275 1.00 0.00 O ATOM 582 CB GLU A 36 3.391 12.825 9.462 1.00 0.00 C ATOM 583 CG GLU A 36 2.298 12.393 10.435 1.00 0.00 C ATOM 584 CD GLU A 36 1.789 13.544 11.294 1.00 0.00 C ATOM 585 OE1 GLU A 36 2.359 13.785 12.376 1.00 0.00 O ATOM 586 OE2 GLU A 36 0.813 14.218 10.883 1.00 0.00 O ATOM 0 H GLU A 36 1.027 14.309 7.965 1.00 0.00 H new ATOM 0 HA GLU A 36 2.696 14.839 9.320 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.621 11.997 8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.301 13.046 10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.466 11.967 9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.683 11.605 11.082 1.00 0.00 H new ATOM 593 N ARG A 37 3.886 15.127 6.655 1.00 0.00 N ATOM 594 CA ARG A 37 4.872 15.745 5.754 1.00 0.00 C ATOM 595 C ARG A 37 5.626 14.694 4.942 1.00 0.00 C ATOM 596 O ARG A 37 6.617 15.003 4.279 1.00 0.00 O ATOM 597 CB ARG A 37 5.867 16.666 6.500 1.00 0.00 C ATOM 598 CG ARG A 37 5.271 17.989 6.992 1.00 0.00 C ATOM 599 CD ARG A 37 4.291 17.803 8.144 1.00 0.00 C ATOM 600 NE ARG A 37 3.763 19.081 8.628 1.00 0.00 N ATOM 601 CZ ARG A 37 3.053 19.226 9.750 1.00 0.00 C ATOM 602 NH1 ARG A 37 2.791 18.175 10.520 1.00 0.00 N ATOM 603 NH2 ARG A 37 2.613 20.425 10.104 1.00 0.00 N ATOM 0 H ARG A 37 2.934 15.155 6.291 1.00 0.00 H new ATOM 0 HA ARG A 37 4.302 16.371 5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.270 16.125 7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.705 16.885 5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.078 18.650 7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.762 18.483 6.164 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.466 17.170 7.819 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.789 17.283 8.963 1.00 0.00 H new ATOM 0 HE ARG A 37 3.950 19.915 8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.133 17.251 10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.248 18.292 11.376 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.817 21.236 9.520 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.071 20.537 10.961 1.00 0.00 H new ATOM 617 N ARG A 38 5.146 13.454 4.981 1.00 0.00 N ATOM 618 CA ARG A 38 5.700 12.396 4.144 1.00 0.00 C ATOM 619 C ARG A 38 4.636 11.843 3.213 1.00 0.00 C ATOM 620 O ARG A 38 3.461 11.774 3.567 1.00 0.00 O ATOM 621 CB ARG A 38 6.292 11.256 4.985 1.00 0.00 C ATOM 622 CG ARG A 38 7.702 11.535 5.487 1.00 0.00 C ATOM 623 CD ARG A 38 8.392 10.257 5.957 1.00 0.00 C ATOM 624 NE ARG A 38 8.405 9.238 4.898 1.00 0.00 N ATOM 625 CZ ARG A 38 9.332 9.158 3.936 1.00 0.00 C ATOM 626 NH1 ARG A 38 10.369 9.988 3.936 1.00 0.00 N ATOM 627 NH2 ARG A 38 9.222 8.239 2.980 1.00 0.00 N ATOM 0 H ARG A 38 4.377 13.158 5.582 1.00 0.00 H new ATOM 0 HA ARG A 38 6.504 12.837 3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.641 11.071 5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.302 10.344 4.389 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.288 11.995 4.691 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.662 12.251 6.308 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.414 10.483 6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.879 9.866 6.835 1.00 0.00 H new ATOM 0 HE ARG A 38 7.657 8.545 4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.461 10.689 4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.073 9.924 3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.431 7.595 2.980 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.929 8.178 2.247 1.00 0.00 H new ATOM 641 N ILE A 39 5.062 11.454 2.020 1.00 0.00 N ATOM 642 CA ILE A 39 4.168 10.835 1.053 1.00 0.00 C ATOM 643 C ILE A 39 3.818 9.420 1.516 1.00 0.00 C ATOM 644 O ILE A 39 4.619 8.767 2.195 1.00 0.00 O ATOM 645 CB ILE A 39 4.808 10.792 -0.364 1.00 0.00 C ATOM 646 CG1 ILE A 39 3.823 10.206 -1.393 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.115 9.994 -0.350 1.00 0.00 C ATOM 648 CD1 ILE A 39 4.355 10.180 -2.812 1.00 0.00 C ATOM 0 H ILE A 39 6.024 11.557 1.698 1.00 0.00 H new ATOM 0 HA ILE A 39 3.261 11.436 0.989 1.00 0.00 H new ATOM 0 HB ILE A 39 5.039 11.815 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.564 9.190 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.902 10.789 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.543 9.979 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.819 10.462 0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.914 8.973 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.602 9.754 -3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.587 11.196 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.259 9.572 -2.851 1.00 0.00 H new ATOM 660 N LEU A 40 2.616 8.966 1.181 1.00 0.00 N ATOM 661 CA LEU A 40 2.182 7.625 1.548 1.00 0.00 C ATOM 662 C LEU A 40 2.995 6.594 0.762 1.00 0.00 C ATOM 663 O LEU A 40 2.690 6.298 -0.396 1.00 0.00 O ATOM 664 CB LEU A 40 0.676 7.461 1.280 1.00 0.00 C ATOM 665 CG LEU A 40 0.008 6.270 1.986 1.00 0.00 C ATOM 666 CD1 LEU A 40 0.089 6.432 3.504 1.00 0.00 C ATOM 667 CD2 LEU A 40 -1.445 6.120 1.538 1.00 0.00 C ATOM 0 H LEU A 40 1.927 9.506 0.657 1.00 0.00 H new ATOM 0 HA LEU A 40 2.352 7.466 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.168 8.375 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.524 7.357 0.206 1.00 0.00 H new ATOM 0 HG LEU A 40 0.545 5.363 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.389 5.580 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.134 6.483 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.420 7.349 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.898 5.271 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.997 7.028 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.478 5.954 0.461 1.00 0.00 H new ATOM 679 N ASP A 41 4.050 6.075 1.389 1.00 0.00 N ATOM 680 CA ASP A 41 4.992 5.186 0.711 1.00 0.00 C ATOM 681 C ASP A 41 4.374 3.813 0.464 1.00 0.00 C ATOM 682 O ASP A 41 4.270 2.982 1.370 1.00 0.00 O ATOM 683 CB ASP A 41 6.293 5.044 1.513 1.00 0.00 C ATOM 684 CG ASP A 41 7.296 4.124 0.827 1.00 0.00 C ATOM 685 OD1 ASP A 41 7.741 4.452 -0.293 1.00 0.00 O ATOM 686 OD2 ASP A 41 7.653 3.076 1.407 1.00 0.00 O ATOM 0 H ASP A 41 4.274 6.256 2.368 1.00 0.00 H new ATOM 0 HA ASP A 41 5.228 5.636 -0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.741 6.028 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.065 4.655 2.505 1.00 0.00 H new ATOM 691 N LEU A 42 3.958 3.598 -0.778 1.00 0.00 N ATOM 692 CA LEU A 42 3.335 2.347 -1.192 1.00 0.00 C ATOM 693 C LEU A 42 4.383 1.231 -1.259 1.00 0.00 C ATOM 694 O LEU A 42 4.055 0.049 -1.150 1.00 0.00 O ATOM 695 CB LEU A 42 2.653 2.550 -2.561 1.00 0.00 C ATOM 696 CG LEU A 42 1.344 1.767 -2.795 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.654 2.241 -4.072 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.598 0.263 -2.857 1.00 0.00 C ATOM 0 H LEU A 42 4.043 4.286 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 42 2.581 2.052 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.443 3.612 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.362 2.272 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 42 0.687 1.963 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.267 1.677 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.420 3.302 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.316 2.083 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.655 -0.259 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.283 0.043 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.037 -0.071 -1.917 1.00 0.00 H new ATOM 710 N TYR A 43 5.645 1.621 -1.422 1.00 0.00 N ATOM 711 CA TYR A 43 6.752 0.669 -1.546 1.00 0.00 C ATOM 712 C TYR A 43 6.802 -0.277 -0.341 1.00 0.00 C ATOM 713 O TYR A 43 6.460 -1.467 -0.446 1.00 0.00 O ATOM 714 CB TYR A 43 8.090 1.425 -1.681 1.00 0.00 C ATOM 715 CG TYR A 43 8.920 1.010 -2.881 1.00 0.00 C ATOM 716 CD1 TYR A 43 9.309 -0.313 -3.064 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.308 1.945 -3.834 1.00 0.00 C ATOM 718 CE1 TYR A 43 10.060 -0.690 -4.159 1.00 0.00 C ATOM 719 CE2 TYR A 43 10.057 1.576 -4.930 1.00 0.00 C ATOM 720 CZ TYR A 43 10.432 0.257 -5.091 1.00 0.00 C ATOM 721 OH TYR A 43 11.175 -0.118 -6.187 1.00 0.00 O ATOM 0 H TYR A 43 5.931 2.599 -1.472 1.00 0.00 H new ATOM 0 HA TYR A 43 6.587 0.071 -2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.886 2.494 -1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.676 1.268 -0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.019 -1.057 -2.337 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.017 2.978 -3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.355 -1.721 -4.286 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.350 2.316 -5.660 1.00 0.00 H new ATOM 0 HH TYR A 43 11.325 0.661 -6.762 1.00 0.00 H new ATOM 731 N SER A 44 7.206 0.264 0.806 1.00 0.00 N ATOM 732 CA SER A 44 7.331 -0.523 2.023 1.00 0.00 C ATOM 733 C SER A 44 5.993 -1.163 2.372 1.00 0.00 C ATOM 734 O SER A 44 5.937 -2.322 2.769 1.00 0.00 O ATOM 735 CB SER A 44 7.830 0.354 3.176 1.00 0.00 C ATOM 736 OG SER A 44 9.042 1.007 2.832 1.00 0.00 O ATOM 0 H SER A 44 7.452 1.248 0.915 1.00 0.00 H new ATOM 0 HA SER A 44 8.061 -1.316 1.857 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.072 1.096 3.427 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.983 -0.259 4.064 1.00 0.00 H new ATOM 0 HG SER A 44 8.844 1.806 2.301 1.00 0.00 H new ATOM 742 N LEU A 45 4.921 -0.405 2.179 1.00 0.00 N ATOM 743 CA LEU A 45 3.569 -0.897 2.415 1.00 0.00 C ATOM 744 C LEU A 45 3.350 -2.224 1.695 1.00 0.00 C ATOM 745 O LEU A 45 3.083 -3.245 2.325 1.00 0.00 O ATOM 746 CB LEU A 45 2.541 0.138 1.930 1.00 0.00 C ATOM 747 CG LEU A 45 1.087 -0.363 1.829 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.541 -0.748 3.202 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.203 0.686 1.157 1.00 0.00 C ATOM 0 H LEU A 45 4.963 0.562 1.857 1.00 0.00 H new ATOM 0 HA LEU A 45 3.439 -1.056 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.566 0.992 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.851 0.499 0.949 1.00 0.00 H new ATOM 0 HG LEU A 45 1.079 -1.260 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.486 -1.098 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.154 -1.542 3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.565 0.121 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.820 0.314 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.220 1.605 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.577 0.888 0.153 1.00 0.00 H new ATOM 761 N SER A 46 3.513 -2.203 0.377 1.00 0.00 N ATOM 762 CA SER A 46 3.212 -3.359 -0.453 1.00 0.00 C ATOM 763 C SER A 46 4.096 -4.543 -0.078 1.00 0.00 C ATOM 764 O SER A 46 3.611 -5.665 0.089 1.00 0.00 O ATOM 765 CB SER A 46 3.371 -3.009 -1.943 1.00 0.00 C ATOM 766 OG SER A 46 4.651 -2.456 -2.219 1.00 0.00 O ATOM 0 H SER A 46 3.854 -1.393 -0.140 1.00 0.00 H new ATOM 0 HA SER A 46 2.175 -3.645 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.224 -3.906 -2.545 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.597 -2.299 -2.235 1.00 0.00 H new ATOM 0 HG SER A 46 4.694 -1.541 -1.870 1.00 0.00 H new ATOM 772 N LYS A 47 5.390 -4.290 0.100 1.00 0.00 N ATOM 773 CA LYS A 47 6.328 -5.375 0.362 1.00 0.00 C ATOM 774 C LYS A 47 6.133 -5.945 1.774 1.00 0.00 C ATOM 775 O LYS A 47 6.391 -7.131 2.012 1.00 0.00 O ATOM 776 CB LYS A 47 7.775 -4.913 0.130 1.00 0.00 C ATOM 777 CG LYS A 47 8.293 -3.903 1.143 1.00 0.00 C ATOM 778 CD LYS A 47 9.662 -3.357 0.736 1.00 0.00 C ATOM 779 CE LYS A 47 10.434 -2.808 1.929 1.00 0.00 C ATOM 780 NZ LYS A 47 10.811 -3.889 2.879 1.00 0.00 N ATOM 0 H LYS A 47 5.807 -3.360 0.068 1.00 0.00 H new ATOM 0 HA LYS A 47 6.123 -6.181 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.427 -5.787 0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.847 -4.477 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.584 -3.080 1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.364 -4.373 2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.242 -4.149 0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.532 -2.569 -0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.333 -2.300 1.579 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.827 -2.064 2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.619 -3.578 3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.004 -4.103 3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.074 -4.743 2.347 1.00 0.00 H new ATOM 794 N ILE A 48 5.651 -5.115 2.705 1.00 0.00 N ATOM 795 CA ILE A 48 5.335 -5.588 4.054 1.00 0.00 C ATOM 796 C ILE A 48 4.035 -6.396 4.036 1.00 0.00 C ATOM 797 O ILE A 48 3.908 -7.404 4.738 1.00 0.00 O ATOM 798 CB ILE A 48 5.224 -4.429 5.081 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.582 -3.723 5.243 1.00 0.00 C ATOM 800 CG2 ILE A 48 4.727 -4.950 6.432 1.00 0.00 C ATOM 801 CD1 ILE A 48 6.577 -2.593 6.256 1.00 0.00 C ATOM 0 H ILE A 48 5.473 -4.123 2.551 1.00 0.00 H new ATOM 0 HA ILE A 48 6.162 -6.223 4.373 1.00 0.00 H new ATOM 0 HB ILE A 48 4.500 -3.706 4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.329 -4.459 5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.891 -3.328 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.656 -4.122 7.138 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.745 -5.405 6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.426 -5.694 6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.571 -2.148 6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.856 -1.834 5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.300 -2.984 7.235 1.00 0.00 H new ATOM 813 N VAL A 49 3.078 -5.963 3.217 1.00 0.00 N ATOM 814 CA VAL A 49 1.847 -6.726 3.020 1.00 0.00 C ATOM 815 C VAL A 49 2.188 -8.106 2.456 1.00 0.00 C ATOM 816 O VAL A 49 1.553 -9.102 2.800 1.00 0.00 O ATOM 817 CB VAL A 49 0.852 -5.998 2.073 1.00 0.00 C ATOM 818 CG1 VAL A 49 -0.366 -6.873 1.775 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.413 -4.662 2.673 1.00 0.00 C ATOM 0 H VAL A 49 3.130 -5.095 2.683 1.00 0.00 H new ATOM 0 HA VAL A 49 1.358 -6.827 3.989 1.00 0.00 H new ATOM 0 HB VAL A 49 1.369 -5.804 1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.044 -6.338 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.042 -7.797 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.881 -7.109 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.283 -4.169 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.077 -4.837 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.286 -4.026 2.823 1.00 0.00 H new ATOM 829 N VAL A 50 3.212 -8.152 1.599 1.00 0.00 N ATOM 830 CA VAL A 50 3.730 -9.415 1.072 1.00 0.00 C ATOM 831 C VAL A 50 4.458 -10.206 2.168 1.00 0.00 C ATOM 832 O VAL A 50 4.391 -11.439 2.200 1.00 0.00 O ATOM 833 CB VAL A 50 4.690 -9.182 -0.125 1.00 0.00 C ATOM 834 CG1 VAL A 50 5.292 -10.499 -0.619 1.00 0.00 C ATOM 835 CG2 VAL A 50 3.965 -8.464 -1.264 1.00 0.00 C ATOM 0 H VAL A 50 3.699 -7.325 1.255 1.00 0.00 H new ATOM 0 HA VAL A 50 2.874 -9.992 0.721 1.00 0.00 H new ATOM 0 HB VAL A 50 5.507 -8.549 0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.960 -10.302 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.853 -10.968 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.493 -11.166 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.654 -8.310 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.124 -9.070 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.599 -7.499 -0.912 1.00 0.00 H new ATOM 845 N GLU A 51 5.154 -9.495 3.061 1.00 0.00 N ATOM 846 CA GLU A 51 5.827 -10.128 4.202 1.00 0.00 C ATOM 847 C GLU A 51 4.824 -10.955 5.004 1.00 0.00 C ATOM 848 O GLU A 51 5.065 -12.125 5.317 1.00 0.00 O ATOM 849 CB GLU A 51 6.473 -9.072 5.117 1.00 0.00 C ATOM 850 CG GLU A 51 7.171 -9.661 6.343 1.00 0.00 C ATOM 851 CD GLU A 51 7.655 -8.603 7.325 1.00 0.00 C ATOM 852 OE1 GLU A 51 8.720 -7.996 7.083 1.00 0.00 O ATOM 853 OE2 GLU A 51 6.978 -8.375 8.353 1.00 0.00 O ATOM 0 H GLU A 51 5.267 -8.482 3.017 1.00 0.00 H new ATOM 0 HA GLU A 51 6.612 -10.778 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.197 -8.498 4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.705 -8.373 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.484 -10.335 6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.021 -10.260 6.016 1.00 0.00 H new ATOM 860 N GLU A 52 3.697 -10.329 5.319 1.00 0.00 N ATOM 861 CA GLU A 52 2.617 -10.988 6.048 1.00 0.00 C ATOM 862 C GLU A 52 1.806 -11.891 5.118 1.00 0.00 C ATOM 863 O GLU A 52 1.299 -12.938 5.533 1.00 0.00 O ATOM 864 CB GLU A 52 1.713 -9.930 6.708 1.00 0.00 C ATOM 865 CG GLU A 52 1.870 -9.846 8.223 1.00 0.00 C ATOM 866 CD GLU A 52 1.522 -11.150 8.935 1.00 0.00 C ATOM 867 OE1 GLU A 52 2.408 -12.026 9.061 1.00 0.00 O ATOM 868 OE2 GLU A 52 0.368 -11.297 9.388 1.00 0.00 O ATOM 0 H GLU A 52 3.505 -9.356 5.079 1.00 0.00 H new ATOM 0 HA GLU A 52 3.050 -11.616 6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.934 -8.955 6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.673 -10.155 6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.898 -9.572 8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.232 -9.049 8.605 1.00 0.00 H new ATOM 875 N GLY A 53 1.709 -11.487 3.859 1.00 0.00 N ATOM 876 CA GLY A 53 0.956 -12.245 2.876 1.00 0.00 C ATOM 877 C GLY A 53 -0.540 -12.175 3.114 1.00 0.00 C ATOM 878 O GLY A 53 -1.231 -13.198 3.066 1.00 0.00 O ATOM 0 H GLY A 53 2.143 -10.638 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.181 -11.866 1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.277 -13.286 2.901 1.00 0.00 H new ATOM 882 N GLY A 54 -1.042 -10.972 3.391 1.00 0.00 N ATOM 883 CA GLY A 54 -2.466 -10.787 3.584 1.00 0.00 C ATOM 884 C GLY A 54 -2.808 -9.405 4.112 1.00 0.00 C ATOM 885 O GLY A 54 -2.482 -9.075 5.254 1.00 0.00 O ATOM 0 H GLY A 54 -0.484 -10.123 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.981 -10.948 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.836 -11.540 4.280 1.00 0.00 H new ATOM 889 N TYR A 55 -3.457 -8.600 3.276 1.00 0.00 N ATOM 890 CA TYR A 55 -3.935 -7.274 3.669 1.00 0.00 C ATOM 891 C TYR A 55 -4.779 -7.360 4.950 1.00 0.00 C ATOM 892 O TYR A 55 -4.394 -6.830 5.998 1.00 0.00 O ATOM 893 CB TYR A 55 -4.740 -6.673 2.503 1.00 0.00 C ATOM 894 CG TYR A 55 -5.383 -5.324 2.771 1.00 0.00 C ATOM 895 CD1 TYR A 55 -4.758 -4.361 3.551 1.00 0.00 C ATOM 896 CD2 TYR A 55 -6.625 -5.021 2.235 1.00 0.00 C ATOM 897 CE1 TYR A 55 -5.356 -3.137 3.786 1.00 0.00 C ATOM 898 CE2 TYR A 55 -7.227 -3.801 2.463 1.00 0.00 C ATOM 899 CZ TYR A 55 -6.590 -2.863 3.240 1.00 0.00 C ATOM 900 OH TYR A 55 -7.191 -1.650 3.470 1.00 0.00 O ATOM 0 H TYR A 55 -3.667 -8.846 2.309 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.088 -6.624 3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.079 -6.575 1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.523 -7.379 2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.790 -4.571 3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.132 -5.755 1.626 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.857 -2.398 4.396 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.194 -3.584 2.033 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.139 -1.789 3.677 1.00 0.00 H new ATOM 910 N GLU A 56 -5.911 -8.055 4.866 1.00 0.00 N ATOM 911 CA GLU A 56 -6.791 -8.257 6.021 1.00 0.00 C ATOM 912 C GLU A 56 -6.087 -9.000 7.155 1.00 0.00 C ATOM 913 O GLU A 56 -6.508 -8.907 8.307 1.00 0.00 O ATOM 914 CB GLU A 56 -8.070 -8.999 5.601 1.00 0.00 C ATOM 915 CG GLU A 56 -9.190 -8.071 5.144 1.00 0.00 C ATOM 916 CD GLU A 56 -8.705 -6.999 4.188 1.00 0.00 C ATOM 917 OE1 GLU A 56 -8.296 -7.357 3.066 1.00 0.00 O ATOM 918 OE2 GLU A 56 -8.719 -5.802 4.567 1.00 0.00 O ATOM 0 H GLU A 56 -6.244 -8.491 4.006 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.063 -7.271 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.830 -9.691 4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.425 -9.598 6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.969 -8.659 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.643 -7.598 6.015 1.00 0.00 H new ATOM 925 N ALA A 57 -5.013 -9.725 6.842 1.00 0.00 N ATOM 926 CA ALA A 57 -4.251 -10.423 7.875 1.00 0.00 C ATOM 927 C ALA A 57 -3.571 -9.402 8.781 1.00 0.00 C ATOM 928 O ALA A 57 -3.611 -9.505 10.013 1.00 0.00 O ATOM 929 CB ALA A 57 -3.225 -11.367 7.251 1.00 0.00 C ATOM 0 H ALA A 57 -4.655 -9.843 5.894 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.933 -11.029 8.472 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.671 -11.875 8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.738 -12.106 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.534 -10.795 6.632 1.00 0.00 H new ATOM 935 N ILE A 58 -2.982 -8.387 8.153 1.00 0.00 N ATOM 936 CA ILE A 58 -2.333 -7.305 8.878 1.00 0.00 C ATOM 937 C ILE A 58 -3.377 -6.443 9.576 1.00 0.00 C ATOM 938 O ILE A 58 -3.157 -5.974 10.693 1.00 0.00 O ATOM 939 CB ILE A 58 -1.485 -6.422 7.936 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.480 -7.286 7.163 1.00 0.00 C ATOM 941 CG2 ILE A 58 -0.764 -5.329 8.721 1.00 0.00 C ATOM 942 CD1 ILE A 58 0.429 -6.502 6.247 1.00 0.00 C ATOM 0 H ILE A 58 -2.943 -8.294 7.138 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.670 -7.754 9.618 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.152 -5.939 7.221 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.130 -7.840 7.876 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.027 -8.021 6.573 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.173 -4.720 8.037 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.497 -4.700 9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.106 -5.786 9.461 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.109 -7.185 5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.170 -5.969 5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.005 -5.786 6.832 1.00 0.00 H new ATOM 954 N CYS A 59 -4.512 -6.240 8.908 1.00 0.00 N ATOM 955 CA CYS A 59 -5.627 -5.500 9.490 1.00 0.00 C ATOM 956 C CYS A 59 -6.140 -6.209 10.742 1.00 0.00 C ATOM 957 O CYS A 59 -6.444 -5.572 11.750 1.00 0.00 O ATOM 958 CB CYS A 59 -6.764 -5.351 8.469 1.00 0.00 C ATOM 959 SG CYS A 59 -6.290 -4.486 6.952 1.00 0.00 S ATOM 0 H CYS A 59 -4.682 -6.579 7.961 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.272 -4.507 9.767 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -7.135 -6.342 8.208 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.589 -4.815 8.937 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.009 -4.267 6.960 1.00 0.00 H new ATOM 965 N LYS A 60 -6.211 -7.534 10.672 1.00 0.00 N ATOM 966 CA LYS A 60 -6.722 -8.341 11.774 1.00 0.00 C ATOM 967 C LYS A 60 -5.747 -8.310 12.950 1.00 0.00 C ATOM 968 O LYS A 60 -6.155 -8.246 14.112 1.00 0.00 O ATOM 969 CB LYS A 60 -6.947 -9.789 11.310 1.00 0.00 C ATOM 970 CG LYS A 60 -7.997 -10.548 12.118 1.00 0.00 C ATOM 971 CD LYS A 60 -9.393 -9.961 11.908 1.00 0.00 C ATOM 972 CE LYS A 60 -10.469 -10.767 12.620 1.00 0.00 C ATOM 973 NZ LYS A 60 -11.832 -10.251 12.322 1.00 0.00 N ATOM 0 H LYS A 60 -5.919 -8.075 9.858 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.675 -7.924 12.100 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.247 -9.781 10.262 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.001 -10.328 11.367 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.994 -11.598 11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.740 -10.511 13.177 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.411 -8.933 12.271 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.614 -9.926 10.841 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.401 -11.812 12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.295 -10.735 13.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.521 -11.027 12.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.077 -9.504 13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.852 -9.860 11.358 1.00 0.00 H new ATOM 987 N ASP A 61 -4.454 -8.359 12.636 1.00 0.00 N ATOM 988 CA ASP A 61 -3.400 -8.313 13.654 1.00 0.00 C ATOM 989 C ASP A 61 -3.075 -6.869 14.048 1.00 0.00 C ATOM 990 O ASP A 61 -2.388 -6.629 15.042 1.00 0.00 O ATOM 991 CB ASP A 61 -2.137 -9.018 13.136 1.00 0.00 C ATOM 992 CG ASP A 61 -0.982 -8.986 14.131 1.00 0.00 C ATOM 993 OD1 ASP A 61 -1.094 -9.617 15.204 1.00 0.00 O ATOM 994 OD2 ASP A 61 0.055 -8.353 13.832 1.00 0.00 O ATOM 0 H ASP A 61 -4.107 -8.431 11.680 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.762 -8.832 14.542 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.378 -10.055 12.901 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.820 -8.546 12.206 1.00 0.00 H new ATOM 999 N ARG A 62 -3.575 -5.916 13.257 1.00 0.00 N ATOM 1000 CA ARG A 62 -3.333 -4.489 13.495 1.00 0.00 C ATOM 1001 C ARG A 62 -1.830 -4.181 13.381 1.00 0.00 C ATOM 1002 O ARG A 62 -1.304 -3.272 14.027 1.00 0.00 O ATOM 1003 CB ARG A 62 -3.905 -4.080 14.871 1.00 0.00 C ATOM 1004 CG ARG A 62 -3.785 -2.590 15.199 1.00 0.00 C ATOM 1005 CD ARG A 62 -4.569 -2.223 16.456 1.00 0.00 C ATOM 1006 NE ARG A 62 -6.015 -2.282 16.232 1.00 0.00 N ATOM 1007 CZ ARG A 62 -6.922 -2.517 17.182 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -6.543 -2.768 18.430 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -8.213 -2.503 16.876 1.00 0.00 N ATOM 0 H ARG A 62 -4.154 -6.108 12.440 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.846 -3.899 12.735 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.957 -4.363 14.910 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.393 -4.651 15.646 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.735 -2.331 15.337 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.151 -2.002 14.357 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.298 -2.902 17.264 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.292 -1.219 16.777 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.353 -2.133 15.281 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.551 -2.782 18.669 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.244 -2.946 19.150 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.508 -2.313 15.918 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.910 -2.682 17.599 1.00 0.00 H new ATOM 1023 N ARG A 63 -1.149 -4.915 12.498 1.00 0.00 N ATOM 1024 CA ARG A 63 0.300 -4.773 12.338 1.00 0.00 C ATOM 1025 C ARG A 63 0.646 -3.495 11.559 1.00 0.00 C ATOM 1026 O ARG A 63 1.818 -3.196 11.319 1.00 0.00 O ATOM 1027 CB ARG A 63 0.890 -6.016 11.646 1.00 0.00 C ATOM 1028 CG ARG A 63 2.407 -5.965 11.464 1.00 0.00 C ATOM 1029 CD ARG A 63 2.944 -7.161 10.688 1.00 0.00 C ATOM 1030 NE ARG A 63 2.805 -8.414 11.429 1.00 0.00 N ATOM 1031 CZ ARG A 63 3.581 -9.482 11.241 1.00 0.00 C ATOM 1032 NH1 ARG A 63 4.570 -9.450 10.351 1.00 0.00 N ATOM 1033 NH2 ARG A 63 3.365 -10.578 11.947 1.00 0.00 N ATOM 0 H ARG A 63 -1.575 -5.611 11.886 1.00 0.00 H new ATOM 0 HA ARG A 63 0.746 -4.689 13.329 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.634 -6.900 12.230 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.421 -6.132 10.669 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.676 -5.047 10.941 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.886 -5.927 12.443 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.414 -7.243 9.739 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.995 -6.996 10.453 1.00 0.00 H new ATOM 0 HE ARG A 63 2.069 -8.475 12.133 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.739 -8.604 9.807 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.159 -10.271 10.213 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.608 -10.603 12.631 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.955 -11.399 11.808 1.00 0.00 H new ATOM 1047 N TRP A 64 -0.375 -2.727 11.179 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.155 -1.451 10.498 1.00 0.00 C ATOM 1049 C TRP A 64 0.633 -0.499 11.400 1.00 0.00 C ATOM 1050 O TRP A 64 1.215 0.477 10.930 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.482 -0.799 10.084 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.329 -1.642 9.172 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -3.631 -2.003 9.379 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -1.949 -2.229 7.911 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.083 -2.767 8.334 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.075 -2.918 7.424 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -0.773 -2.242 7.141 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -3.063 -3.606 6.217 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.769 -2.927 5.942 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -1.907 -3.597 5.489 1.00 0.00 C ATOM 0 H TRP A 64 -1.356 -2.964 11.330 1.00 0.00 H new ATOM 0 HA TRP A 64 0.420 -1.652 9.594 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.055 -0.568 10.982 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.269 0.149 9.589 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.219 -1.726 10.242 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -5.021 -3.159 8.250 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.112 -1.725 7.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.939 -4.131 5.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.130 -2.945 5.344 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.873 -4.119 4.544 1.00 0.00 H new ATOM 1071 N ALA A 65 0.644 -0.786 12.699 1.00 0.00 N ATOM 1072 CA ALA A 65 1.478 -0.044 13.638 1.00 0.00 C ATOM 1073 C ALA A 65 2.952 -0.247 13.283 1.00 0.00 C ATOM 1074 O ALA A 65 3.713 0.711 13.130 1.00 0.00 O ATOM 1075 CB ALA A 65 1.193 -0.495 15.067 1.00 0.00 C ATOM 0 H ALA A 65 0.085 -1.526 13.124 1.00 0.00 H new ATOM 0 HA ALA A 65 1.245 1.019 13.569 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.822 0.066 15.758 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.144 -0.315 15.303 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.409 -1.559 15.163 1.00 0.00 H new ATOM 1081 N ARG A 66 3.327 -1.514 13.138 1.00 0.00 N ATOM 1082 CA ARG A 66 4.667 -1.906 12.699 1.00 0.00 C ATOM 1083 C ARG A 66 5.043 -1.208 11.389 1.00 0.00 C ATOM 1084 O ARG A 66 6.134 -0.639 11.266 1.00 0.00 O ATOM 1085 CB ARG A 66 4.711 -3.446 12.545 1.00 0.00 C ATOM 1086 CG ARG A 66 5.542 -3.971 11.371 1.00 0.00 C ATOM 1087 CD ARG A 66 7.042 -3.970 11.647 1.00 0.00 C ATOM 1088 NE ARG A 66 7.804 -4.365 10.460 1.00 0.00 N ATOM 1089 CZ ARG A 66 7.750 -5.576 9.894 1.00 0.00 C ATOM 1090 NH1 ARG A 66 7.040 -6.556 10.443 1.00 0.00 N ATOM 1091 NH2 ARG A 66 8.429 -5.815 8.782 1.00 0.00 N ATOM 0 H ARG A 66 2.708 -2.304 13.322 1.00 0.00 H new ATOM 0 HA ARG A 66 5.398 -1.597 13.446 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.106 -3.874 13.466 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.690 -3.811 12.436 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.224 -4.986 11.135 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.341 -3.361 10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.354 -2.976 11.967 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.263 -4.653 12.467 1.00 0.00 H new ATOM 0 HE ARG A 66 8.418 -3.669 10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.526 -6.390 11.308 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.009 -7.474 9.999 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.991 -5.077 8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.389 -6.737 8.349 1.00 0.00 H new ATOM 1105 N VAL A 67 4.133 -1.241 10.416 1.00 0.00 N ATOM 1106 CA VAL A 67 4.418 -0.681 9.097 1.00 0.00 C ATOM 1107 C VAL A 67 4.591 0.837 9.194 1.00 0.00 C ATOM 1108 O VAL A 67 5.481 1.407 8.566 1.00 0.00 O ATOM 1109 CB VAL A 67 3.322 -1.041 8.049 1.00 0.00 C ATOM 1110 CG1 VAL A 67 2.894 -2.499 8.192 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.120 -0.108 8.133 1.00 0.00 C ATOM 0 H VAL A 67 3.202 -1.645 10.515 1.00 0.00 H new ATOM 0 HA VAL A 67 5.349 -1.128 8.749 1.00 0.00 H new ATOM 0 HB VAL A 67 3.762 -0.906 7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.128 -2.728 7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.756 -3.148 8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.492 -2.664 9.192 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.382 -0.397 7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.675 -0.176 9.126 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.442 0.917 7.949 1.00 0.00 H new ATOM 1121 N ALA A 68 3.762 1.477 10.018 1.00 0.00 N ATOM 1122 CA ALA A 68 3.839 2.921 10.221 1.00 0.00 C ATOM 1123 C ALA A 68 5.156 3.290 10.895 1.00 0.00 C ATOM 1124 O ALA A 68 5.748 4.334 10.601 1.00 0.00 O ATOM 1125 CB ALA A 68 2.651 3.412 11.043 1.00 0.00 C ATOM 0 H ALA A 68 3.028 1.016 10.556 1.00 0.00 H new ATOM 0 HA ALA A 68 3.802 3.412 9.249 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.727 4.490 11.183 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.724 3.178 10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.652 2.919 12.015 1.00 0.00 H new ATOM 1131 N GLN A 69 5.618 2.416 11.788 1.00 0.00 N ATOM 1132 CA GLN A 69 6.886 2.615 12.477 1.00 0.00 C ATOM 1133 C GLN A 69 8.035 2.535 11.469 1.00 0.00 C ATOM 1134 O GLN A 69 8.992 3.312 11.538 1.00 0.00 O ATOM 1135 CB GLN A 69 7.046 1.561 13.594 1.00 0.00 C ATOM 1136 CG GLN A 69 8.187 1.834 14.578 1.00 0.00 C ATOM 1137 CD GLN A 69 9.567 1.504 14.023 1.00 0.00 C ATOM 1138 OE1 GLN A 69 9.722 0.596 13.208 1.00 0.00 O ATOM 1139 NE2 GLN A 69 10.579 2.240 14.463 1.00 0.00 N ATOM 0 H GLN A 69 5.128 1.560 12.050 1.00 0.00 H new ATOM 0 HA GLN A 69 6.904 3.602 12.939 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.112 1.499 14.152 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.208 0.586 13.134 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.163 2.885 14.866 1.00 0.00 H new ATOM 0 HG3 GLN A 69 8.021 1.251 15.484 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.412 2.985 15.139 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.525 2.061 14.125 1.00 0.00 H new ATOM 1148 N ARG A 70 7.922 1.602 10.525 1.00 0.00 N ATOM 1149 CA ARG A 70 8.916 1.451 9.461 1.00 0.00 C ATOM 1150 C ARG A 70 8.958 2.727 8.615 1.00 0.00 C ATOM 1151 O ARG A 70 10.027 3.276 8.359 1.00 0.00 O ATOM 1152 CB ARG A 70 8.579 0.224 8.586 1.00 0.00 C ATOM 1153 CG ARG A 70 9.775 -0.450 7.892 1.00 0.00 C ATOM 1154 CD ARG A 70 10.410 0.394 6.779 1.00 0.00 C ATOM 1155 NE ARG A 70 11.385 1.366 7.287 1.00 0.00 N ATOM 1156 CZ ARG A 70 12.260 2.030 6.523 1.00 0.00 C ATOM 1157 NH1 ARG A 70 12.275 1.855 5.204 1.00 0.00 N ATOM 1158 NH2 ARG A 70 13.112 2.877 7.090 1.00 0.00 N ATOM 0 H ARG A 70 7.150 0.937 10.475 1.00 0.00 H new ATOM 0 HA ARG A 70 9.899 1.291 9.904 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.079 -0.517 9.210 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.865 0.531 7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.535 -0.677 8.640 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.448 -1.401 7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.901 -0.266 6.064 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.625 0.923 6.238 1.00 0.00 H new ATOM 0 HE ARG A 70 11.396 1.548 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.616 1.210 4.768 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.946 2.365 4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.096 3.017 8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.782 3.387 6.515 1.00 0.00 H new ATOM 1172 N LEU A 71 7.781 3.210 8.214 1.00 0.00 N ATOM 1173 CA LEU A 71 7.676 4.426 7.400 1.00 0.00 C ATOM 1174 C LEU A 71 8.006 5.680 8.223 1.00 0.00 C ATOM 1175 O LEU A 71 7.940 6.801 7.710 1.00 0.00 O ATOM 1176 CB LEU A 71 6.278 4.542 6.763 1.00 0.00 C ATOM 1177 CG LEU A 71 6.050 3.694 5.492 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.225 2.205 5.770 1.00 0.00 C ATOM 1179 CD2 LEU A 71 4.669 3.970 4.901 1.00 0.00 C ATOM 0 H LEU A 71 6.885 2.778 8.439 1.00 0.00 H new ATOM 0 HA LEU A 71 8.411 4.352 6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.535 4.256 7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.096 5.588 6.517 1.00 0.00 H new ATOM 0 HG LEU A 71 6.807 3.985 4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.057 1.641 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.237 2.019 6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.507 1.889 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.528 3.363 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.903 3.719 5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.589 5.025 4.640 1.00 0.00 H new ATOM 1191 N ASN A 72 8.357 5.473 9.496 1.00 0.00 N ATOM 1192 CA ASN A 72 8.886 6.532 10.366 1.00 0.00 C ATOM 1193 C ASN A 72 7.820 7.562 10.733 1.00 0.00 C ATOM 1194 O ASN A 72 8.132 8.734 10.964 1.00 0.00 O ATOM 1195 CB ASN A 72 10.091 7.234 9.714 1.00 0.00 C ATOM 1196 CG ASN A 72 11.218 6.275 9.373 1.00 0.00 C ATOM 1197 OD1 ASN A 72 12.061 5.961 10.215 1.00 0.00 O ATOM 1198 ND2 ASN A 72 11.250 5.816 8.132 1.00 0.00 N ATOM 0 H ASN A 72 8.283 4.565 9.955 1.00 0.00 H new ATOM 0 HA ASN A 72 9.213 6.046 11.285 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.763 7.740 8.806 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.466 8.003 10.389 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.992 5.178 7.843 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.533 6.100 7.465 1.00 0.00 H new ATOM 1205 N TYR A 73 6.568 7.125 10.807 1.00 0.00 N ATOM 1206 CA TYR A 73 5.484 8.007 11.224 1.00 0.00 C ATOM 1207 C TYR A 73 5.553 8.254 12.735 1.00 0.00 C ATOM 1208 O TYR A 73 5.869 7.343 13.502 1.00 0.00 O ATOM 1209 CB TYR A 73 4.122 7.425 10.821 1.00 0.00 C ATOM 1210 CG TYR A 73 3.885 7.430 9.319 1.00 0.00 C ATOM 1211 CD1 TYR A 73 3.967 8.614 8.591 1.00 0.00 C ATOM 1212 CD2 TYR A 73 3.577 6.260 8.631 1.00 0.00 C ATOM 1213 CE1 TYR A 73 3.751 8.630 7.226 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.360 6.271 7.266 1.00 0.00 C ATOM 1215 CZ TYR A 73 3.449 7.456 6.568 1.00 0.00 C ATOM 1216 OH TYR A 73 3.233 7.469 5.206 1.00 0.00 O ATOM 0 H TYR A 73 6.279 6.172 10.585 1.00 0.00 H new ATOM 0 HA TYR A 73 5.599 8.964 10.715 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.049 6.402 11.190 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.332 7.997 11.308 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.203 9.536 9.102 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.506 5.328 9.173 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.818 9.558 6.677 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.121 5.354 6.748 1.00 0.00 H new ATOM 0 HH TYR A 73 3.033 6.561 4.898 1.00 0.00 H new ATOM 1226 N PRO A 74 5.274 9.505 13.170 1.00 0.00 N ATOM 1227 CA PRO A 74 5.408 9.931 14.578 1.00 0.00 C ATOM 1228 C PRO A 74 4.719 8.995 15.581 1.00 0.00 C ATOM 1229 O PRO A 74 3.741 8.315 15.243 1.00 0.00 O ATOM 1230 CB PRO A 74 4.743 11.315 14.589 1.00 0.00 C ATOM 1231 CG PRO A 74 4.924 11.821 13.200 1.00 0.00 C ATOM 1232 CD PRO A 74 4.810 10.613 12.311 1.00 0.00 C ATOM 0 HA PRO A 74 6.452 9.928 14.892 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.688 11.247 14.853 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.212 11.976 15.318 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.166 12.563 12.951 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.894 12.304 13.082 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.785 10.458 11.975 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.426 10.713 11.418 1.00 0.00 H new ATOM 1240 N PRO A 75 5.224 8.973 16.839 1.00 0.00 N ATOM 1241 CA PRO A 75 4.697 8.119 17.917 1.00 0.00 C ATOM 1242 C PRO A 75 3.171 8.123 17.988 1.00 0.00 C ATOM 1243 O PRO A 75 2.522 9.127 17.678 1.00 0.00 O ATOM 1244 CB PRO A 75 5.302 8.739 19.178 1.00 0.00 C ATOM 1245 CG PRO A 75 6.602 9.301 18.717 1.00 0.00 C ATOM 1246 CD PRO A 75 6.367 9.790 17.310 1.00 0.00 C ATOM 0 HA PRO A 75 4.958 7.071 17.770 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.656 9.514 19.591 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.445 7.993 19.960 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.926 10.116 19.364 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.385 8.543 18.741 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.133 10.854 17.290 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.247 9.645 16.684 1.00 0.00 H new ATOM 1254 N GLY A 76 2.611 6.995 18.404 1.00 0.00 N ATOM 1255 CA GLY A 76 1.174 6.814 18.386 1.00 0.00 C ATOM 1256 C GLY A 76 0.764 5.952 17.214 1.00 0.00 C ATOM 1257 O GLY A 76 -0.145 5.129 17.324 1.00 0.00 O ATOM 0 H GLY A 76 3.134 6.194 18.757 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.848 6.351 19.317 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.680 7.784 18.322 1.00 0.00 H new ATOM 1261 N LYS A 77 1.466 6.146 16.092 1.00 0.00 N ATOM 1262 CA LYS A 77 1.279 5.340 14.885 1.00 0.00 C ATOM 1263 C LYS A 77 -0.151 5.463 14.355 1.00 0.00 C ATOM 1264 O LYS A 77 -0.653 4.569 13.671 1.00 0.00 O ATOM 1265 CB LYS A 77 1.635 3.870 15.168 1.00 0.00 C ATOM 1266 CG LYS A 77 3.033 3.679 15.758 1.00 0.00 C ATOM 1267 CD LYS A 77 3.370 2.204 15.947 1.00 0.00 C ATOM 1268 CE LYS A 77 4.734 2.001 16.595 1.00 0.00 C ATOM 1269 NZ LYS A 77 4.748 2.431 18.017 1.00 0.00 N ATOM 0 H LYS A 77 2.180 6.868 15.997 1.00 0.00 H new ATOM 0 HA LYS A 77 1.950 5.718 14.113 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.900 3.453 15.856 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.561 3.302 14.240 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.771 4.139 15.101 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.096 4.192 16.717 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.604 1.735 16.564 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.352 1.702 14.979 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.011 0.949 16.532 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.486 2.562 16.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.662 2.182 18.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.610 3.460 18.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.982 1.952 18.532 1.00 0.00 H new ATOM 1283 N ASN A 78 -0.778 6.606 14.640 1.00 0.00 N ATOM 1284 CA ASN A 78 -2.171 6.868 14.250 1.00 0.00 C ATOM 1285 C ASN A 78 -2.357 6.726 12.740 1.00 0.00 C ATOM 1286 O ASN A 78 -3.436 6.375 12.259 1.00 0.00 O ATOM 1287 CB ASN A 78 -2.593 8.280 14.683 1.00 0.00 C ATOM 1288 CG ASN A 78 -2.486 8.503 16.183 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -3.422 8.224 16.934 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -1.353 9.023 16.631 1.00 0.00 N ATOM 0 H ASN A 78 -0.339 7.376 15.146 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.798 6.131 14.752 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.971 9.012 14.168 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.621 8.458 14.368 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.234 9.205 17.628 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.599 9.241 15.979 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.280 6.981 12.002 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.307 6.955 10.541 1.00 0.00 C ATOM 1299 C ILE A 79 -1.660 5.553 10.020 1.00 0.00 C ATOM 1300 O ILE A 79 -2.032 5.389 8.860 1.00 0.00 O ATOM 1301 CB ILE A 79 0.051 7.426 9.931 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.364 8.889 10.320 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.052 7.290 8.408 1.00 0.00 C ATOM 1304 CD1 ILE A 79 0.776 9.088 11.765 1.00 0.00 C ATOM 0 H ILE A 79 -0.368 7.210 12.397 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.082 7.653 10.223 1.00 0.00 H new ATOM 0 HB ILE A 79 0.826 6.780 10.342 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.161 9.259 9.675 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.517 9.500 10.120 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.011 7.626 8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.107 6.247 8.136 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.747 7.901 7.988 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.975 10.145 11.944 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.027 8.753 12.422 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.677 8.509 11.970 1.00 0.00 H new ATOM 1316 N GLY A 80 -1.565 4.551 10.894 1.00 0.00 N ATOM 1317 CA GLY A 80 -1.912 3.189 10.518 1.00 0.00 C ATOM 1318 C GLY A 80 -3.318 3.082 9.946 1.00 0.00 C ATOM 1319 O GLY A 80 -3.536 2.424 8.927 1.00 0.00 O ATOM 0 H GLY A 80 -1.253 4.659 11.859 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.195 2.825 9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.828 2.542 11.391 1.00 0.00 H new ATOM 1323 N SER A 81 -4.271 3.747 10.596 1.00 0.00 N ATOM 1324 CA SER A 81 -5.660 3.749 10.145 1.00 0.00 C ATOM 1325 C SER A 81 -5.793 4.515 8.824 1.00 0.00 C ATOM 1326 O SER A 81 -6.516 4.092 7.918 1.00 0.00 O ATOM 1327 CB SER A 81 -6.555 4.364 11.225 1.00 0.00 C ATOM 1328 OG SER A 81 -6.405 3.671 12.456 1.00 0.00 O ATOM 0 H SER A 81 -4.105 4.294 11.441 1.00 0.00 H new ATOM 0 HA SER A 81 -5.980 2.722 9.971 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.300 5.415 11.360 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.597 4.327 10.906 1.00 0.00 H new ATOM 0 HG SER A 81 -6.983 4.079 13.134 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.077 5.635 8.732 1.00 0.00 N ATOM 1335 CA LEU A 82 -5.014 6.439 7.509 1.00 0.00 C ATOM 1336 C LEU A 82 -4.588 5.550 6.336 1.00 0.00 C ATOM 1337 O LEU A 82 -5.269 5.465 5.306 1.00 0.00 O ATOM 1338 CB LEU A 82 -4.012 7.600 7.734 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.927 8.703 6.654 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -3.178 8.226 5.408 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -5.320 9.210 6.294 1.00 0.00 C ATOM 0 H LEU A 82 -4.524 6.012 9.502 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.991 6.860 7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.262 8.078 8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.018 7.167 7.848 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.355 9.531 7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.141 9.032 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.163 7.938 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.695 7.368 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.239 9.986 5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.919 8.385 5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.798 9.622 7.183 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.469 4.866 6.531 1.00 0.00 N ATOM 1354 CA LEU A 83 -2.899 3.977 5.528 1.00 0.00 C ATOM 1355 C LEU A 83 -3.902 2.899 5.124 1.00 0.00 C ATOM 1356 O LEU A 83 -4.157 2.692 3.936 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.623 3.334 6.085 1.00 0.00 C ATOM 1358 CG LEU A 83 -0.933 2.313 5.167 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.512 2.959 3.849 1.00 0.00 C ATOM 1360 CD2 LEU A 83 0.268 1.690 5.874 1.00 0.00 C ATOM 0 H LEU A 83 -2.928 4.913 7.394 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.655 4.558 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.911 4.126 6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.868 2.841 7.026 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.647 1.522 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.026 2.215 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.392 3.350 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.183 3.774 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.746 0.969 5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.982 2.471 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.065 1.184 6.780 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.471 2.228 6.122 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.441 1.157 5.895 1.00 0.00 C ATOM 1374 C ARG A 84 -6.587 1.664 5.016 1.00 0.00 C ATOM 1375 O ARG A 84 -6.859 1.115 3.949 1.00 0.00 O ATOM 1376 CB ARG A 84 -5.979 0.654 7.254 1.00 0.00 C ATOM 1377 CG ARG A 84 -6.653 -0.727 7.239 1.00 0.00 C ATOM 1378 CD ARG A 84 -7.922 -0.775 6.387 1.00 0.00 C ATOM 1379 NE ARG A 84 -8.845 0.323 6.692 1.00 0.00 N ATOM 1380 CZ ARG A 84 -10.120 0.367 6.291 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -10.660 -0.657 5.636 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -10.853 1.442 6.549 1.00 0.00 N ATOM 0 H ARG A 84 -4.275 2.409 7.106 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.955 0.329 5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.151 0.625 7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.696 1.383 7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.944 -1.465 6.863 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.900 -1.014 8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.649 -0.734 5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.428 -1.727 6.549 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.492 1.103 7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.101 -1.486 5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.633 -0.613 5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.444 2.230 7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.826 1.481 6.245 1.00 0.00 H new ATOM 1396 N SER A 85 -7.238 2.732 5.465 1.00 0.00 N ATOM 1397 CA SER A 85 -8.427 3.250 4.794 1.00 0.00 C ATOM 1398 C SER A 85 -8.121 3.700 3.362 1.00 0.00 C ATOM 1399 O SER A 85 -8.965 3.565 2.471 1.00 0.00 O ATOM 1400 CB SER A 85 -9.030 4.392 5.616 1.00 0.00 C ATOM 1401 OG SER A 85 -9.352 3.946 6.927 1.00 0.00 O ATOM 0 H SER A 85 -6.962 3.258 6.294 1.00 0.00 H new ATOM 0 HA SER A 85 -9.157 2.444 4.721 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.324 5.221 5.671 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.926 4.769 5.123 1.00 0.00 H new ATOM 0 HG SER A 85 -8.539 3.924 7.474 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.916 4.220 3.129 1.00 0.00 N ATOM 1408 CA HIS A 86 -6.518 4.610 1.774 1.00 0.00 C ATOM 1409 C HIS A 86 -6.184 3.385 0.928 1.00 0.00 C ATOM 1410 O HIS A 86 -6.471 3.361 -0.268 1.00 0.00 O ATOM 1411 CB HIS A 86 -5.343 5.595 1.789 1.00 0.00 C ATOM 1412 CG HIS A 86 -5.759 6.993 2.131 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -5.836 7.624 3.320 1.00 0.00 N flip ATOM 1414 CD2 HIS A 86 -6.181 7.906 1.189 1.00 0.00 C flip ATOM 1415 CE1 HIS A 86 -6.302 8.892 3.083 1.00 0.00 C flip ATOM 1416 NE2 HIS A 86 -6.499 9.038 1.790 1.00 0.00 N flip ATOM 0 H HIS A 86 -6.208 4.380 3.846 1.00 0.00 H new ATOM 0 HA HIS A 86 -7.369 5.119 1.321 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.600 5.256 2.511 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.862 5.593 0.811 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -5.592 7.231 4.229 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -6.242 7.724 0.126 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.478 9.647 3.835 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.594 2.365 1.551 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.298 1.114 0.853 1.00 0.00 C ATOM 1427 C TYR A 87 -6.592 0.558 0.269 1.00 0.00 C ATOM 1428 O TYR A 87 -6.670 0.242 -0.919 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.663 0.088 1.819 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.090 -1.162 1.146 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -4.880 -1.988 0.345 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -2.753 -1.511 1.311 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.355 -3.113 -0.263 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.222 -2.635 0.701 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.029 -3.432 -0.083 1.00 0.00 C ATOM 1436 OH TYR A 87 -2.504 -4.539 -0.711 1.00 0.00 O ATOM 0 H TYR A 87 -5.313 2.380 2.531 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.585 1.307 0.052 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.866 0.580 2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.416 -0.220 2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.922 -1.744 0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.117 -0.893 1.927 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.984 -3.740 -0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.181 -2.886 0.839 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.860 -5.351 -0.294 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.607 0.495 1.121 1.00 0.00 N ATOM 1447 CA GLU A 88 -8.901 -0.097 0.793 1.00 0.00 C ATOM 1448 C GLU A 88 -9.512 0.512 -0.483 1.00 0.00 C ATOM 1449 O GLU A 88 -10.221 -0.172 -1.221 1.00 0.00 O ATOM 1450 CB GLU A 88 -9.838 0.075 2.006 1.00 0.00 C ATOM 1451 CG GLU A 88 -11.104 -0.788 1.992 1.00 0.00 C ATOM 1452 CD GLU A 88 -12.232 -0.210 1.150 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -12.483 1.010 1.245 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -12.904 -0.977 0.428 1.00 0.00 O ATOM 0 H GLU A 88 -7.556 0.858 2.073 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.764 -1.157 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.276 -0.151 2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.134 1.122 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.853 -1.779 1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.456 -0.916 3.015 1.00 0.00 H new ATOM 1461 N ARG A 89 -9.218 1.783 -0.761 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.826 2.465 -1.912 1.00 0.00 C ATOM 1463 C ARG A 89 -8.809 2.813 -3.004 1.00 0.00 C ATOM 1464 O ARG A 89 -9.194 3.239 -4.093 1.00 0.00 O ATOM 1465 CB ARG A 89 -10.557 3.737 -1.457 1.00 0.00 C ATOM 1466 CG ARG A 89 -9.675 4.744 -0.721 1.00 0.00 C ATOM 1467 CD ARG A 89 -10.438 6.027 -0.406 1.00 0.00 C ATOM 1468 NE ARG A 89 -11.698 5.755 0.293 1.00 0.00 N ATOM 1469 CZ ARG A 89 -12.798 6.505 0.188 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -12.804 7.601 -0.563 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -13.898 6.147 0.836 1.00 0.00 N ATOM 0 H ARG A 89 -8.573 2.356 -0.217 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.539 1.764 -2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.992 4.223 -2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.384 3.453 -0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.308 4.300 0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.802 4.978 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.816 6.678 0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.645 6.563 -1.332 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.737 4.937 0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.962 7.878 -1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.651 8.165 -0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.900 5.304 1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.742 6.715 0.761 1.00 0.00 H new ATOM 1485 N ILE A 90 -7.518 2.638 -2.728 1.00 0.00 N ATOM 1486 CA ILE A 90 -6.475 2.997 -3.696 1.00 0.00 C ATOM 1487 C ILE A 90 -5.607 1.792 -4.063 1.00 0.00 C ATOM 1488 O ILE A 90 -5.423 1.481 -5.239 1.00 0.00 O ATOM 1489 CB ILE A 90 -5.559 4.134 -3.159 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -6.382 5.402 -2.859 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -4.429 4.445 -4.149 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -7.099 5.973 -4.066 1.00 0.00 C ATOM 0 H ILE A 90 -7.168 2.253 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.994 3.348 -4.588 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.107 3.790 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.117 5.171 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.719 6.164 -2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.804 5.243 -3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.823 3.552 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.856 4.761 -5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.655 6.863 -3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.369 6.238 -4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.789 5.229 -4.465 1.00 0.00 H new ATOM 1504 N VAL A 91 -5.086 1.112 -3.049 1.00 0.00 N ATOM 1505 CA VAL A 91 -4.103 0.050 -3.259 1.00 0.00 C ATOM 1506 C VAL A 91 -4.768 -1.332 -3.303 1.00 0.00 C ATOM 1507 O VAL A 91 -4.136 -2.321 -3.672 1.00 0.00 O ATOM 1508 CB VAL A 91 -3.022 0.072 -2.146 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.871 -0.881 -2.470 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.504 1.494 -1.923 1.00 0.00 C ATOM 0 H VAL A 91 -5.326 1.275 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.629 0.236 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.487 -0.272 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.131 -0.842 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.255 -1.897 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.406 -0.584 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.747 1.487 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.065 1.871 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.330 2.139 -1.624 1.00 0.00 H new ATOM 1520 N TYR A 92 -6.051 -1.394 -2.950 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.779 -2.668 -2.905 1.00 0.00 C ATOM 1522 C TYR A 92 -6.718 -3.410 -4.258 1.00 0.00 C ATOM 1523 O TYR A 92 -6.528 -4.628 -4.283 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.242 -2.455 -2.463 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.761 -3.511 -1.493 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -8.166 -4.768 -1.406 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.835 -3.240 -0.649 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.630 -5.717 -0.514 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.299 -4.183 0.246 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.694 -5.418 0.309 1.00 0.00 C ATOM 1531 OH TYR A 92 -10.159 -6.358 1.197 1.00 0.00 O ATOM 0 H TYR A 92 -6.610 -0.581 -2.691 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.286 -3.296 -2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.330 -1.474 -1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.879 -2.445 -3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.329 -5.005 -2.046 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.314 -2.273 -0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.161 -6.688 -0.462 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.132 -3.953 0.893 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.941 -6.809 0.816 1.00 0.00 H new ATOM 1541 N PRO A 93 -6.884 -2.708 -5.409 1.00 0.00 N ATOM 1542 CA PRO A 93 -6.696 -3.330 -6.729 1.00 0.00 C ATOM 1543 C PRO A 93 -5.302 -3.954 -6.874 1.00 0.00 C ATOM 1544 O PRO A 93 -5.129 -4.949 -7.579 1.00 0.00 O ATOM 1545 CB PRO A 93 -6.886 -2.166 -7.723 1.00 0.00 C ATOM 1546 CG PRO A 93 -6.784 -0.926 -6.897 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.301 -1.300 -5.537 1.00 0.00 C ATOM 0 HA PRO A 93 -7.395 -4.149 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.123 -2.184 -8.502 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.853 -2.228 -8.222 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.753 -0.576 -6.841 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.372 -0.117 -7.331 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.869 -0.677 -4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.383 -1.190 -5.471 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.317 -3.372 -6.188 1.00 0.00 N ATOM 1556 CA TYR A 94 -2.946 -3.877 -6.229 1.00 0.00 C ATOM 1557 C TYR A 94 -2.784 -5.110 -5.347 1.00 0.00 C ATOM 1558 O TYR A 94 -1.911 -5.941 -5.596 1.00 0.00 O ATOM 1559 CB TYR A 94 -1.942 -2.787 -5.834 1.00 0.00 C ATOM 1560 CG TYR A 94 -1.587 -1.862 -6.981 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -0.517 -2.157 -7.819 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -2.319 -0.705 -7.233 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -0.185 -1.329 -8.870 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -1.991 0.130 -8.282 1.00 0.00 C ATOM 1565 CZ TYR A 94 -0.923 -0.185 -9.097 1.00 0.00 C ATOM 1566 OH TYR A 94 -0.596 0.639 -10.149 1.00 0.00 O ATOM 0 H TYR A 94 -4.444 -2.550 -5.597 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.735 -4.171 -7.257 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.357 -2.199 -5.016 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.033 -3.257 -5.460 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.064 -3.050 -7.643 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.157 -0.457 -6.598 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.648 -1.574 -9.512 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.567 1.025 -8.464 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.312 1.512 -9.805 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.621 -5.225 -4.320 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.702 -6.455 -3.532 1.00 0.00 C ATOM 1578 C GLU A 95 -4.055 -7.612 -4.469 1.00 0.00 C ATOM 1579 O GLU A 95 -3.361 -8.629 -4.522 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.759 -6.299 -2.422 1.00 0.00 C ATOM 1581 CG GLU A 95 -5.018 -7.557 -1.592 1.00 0.00 C ATOM 1582 CD GLU A 95 -3.797 -8.048 -0.822 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -3.104 -7.218 -0.198 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -3.552 -9.273 -0.816 1.00 0.00 O ATOM 0 H GLU A 95 -4.252 -4.485 -4.013 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.745 -6.662 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.444 -5.499 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.698 -5.983 -2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.824 -7.356 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.363 -8.352 -2.253 1.00 0.00 H new ATOM 1591 N MET A 96 -5.123 -7.418 -5.244 1.00 0.00 N ATOM 1592 CA MET A 96 -5.543 -8.394 -6.250 1.00 0.00 C ATOM 1593 C MET A 96 -4.476 -8.558 -7.332 1.00 0.00 C ATOM 1594 O MET A 96 -4.259 -9.654 -7.837 1.00 0.00 O ATOM 1595 CB MET A 96 -6.877 -7.975 -6.889 1.00 0.00 C ATOM 1596 CG MET A 96 -8.086 -8.190 -5.988 1.00 0.00 C ATOM 1597 SD MET A 96 -8.355 -9.934 -5.606 1.00 0.00 S ATOM 1598 CE MET A 96 -9.854 -9.846 -4.626 1.00 0.00 C ATOM 0 H MET A 96 -5.716 -6.589 -5.193 1.00 0.00 H new ATOM 0 HA MET A 96 -5.678 -9.352 -5.748 1.00 0.00 H new ATOM 0 HB2 MET A 96 -6.823 -6.921 -7.163 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.019 -8.537 -7.812 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.948 -7.634 -5.060 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.974 -7.785 -6.473 1.00 0.00 H new ATOM 0 HE1 MET A 96 -10.548 -10.621 -4.952 1.00 0.00 H new ATOM 0 HE2 MET A 96 -9.610 -9.996 -3.574 1.00 0.00 H new ATOM 0 HE3 MET A 96 -10.316 -8.867 -4.755 1.00 0.00 H new ATOM 1608 N TYR A 97 -3.818 -7.458 -7.679 1.00 0.00 N ATOM 1609 CA TYR A 97 -2.759 -7.466 -8.688 1.00 0.00 C ATOM 1610 C TYR A 97 -1.613 -8.389 -8.262 1.00 0.00 C ATOM 1611 O TYR A 97 -1.392 -9.444 -8.867 1.00 0.00 O ATOM 1612 CB TYR A 97 -2.259 -6.029 -8.910 1.00 0.00 C ATOM 1613 CG TYR A 97 -1.054 -5.890 -9.829 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -1.182 -6.008 -11.209 1.00 0.00 C ATOM 1615 CD2 TYR A 97 0.209 -5.620 -9.309 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -0.087 -5.864 -12.041 1.00 0.00 C ATOM 1617 CE2 TYR A 97 1.306 -5.473 -10.137 1.00 0.00 C ATOM 1618 CZ TYR A 97 1.153 -5.598 -11.501 1.00 0.00 C ATOM 1619 OH TYR A 97 2.243 -5.443 -12.328 1.00 0.00 O ATOM 0 H TYR A 97 -4.000 -6.540 -7.274 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.157 -7.851 -9.627 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.077 -5.437 -9.320 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.007 -5.597 -7.942 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.152 -6.215 -11.637 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.334 -5.524 -8.241 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.203 -5.960 -13.110 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.278 -5.261 -9.717 1.00 0.00 H new ATOM 0 HH TYR A 97 2.338 -4.498 -12.571 1.00 0.00 H new ATOM 1629 N GLN A 98 -0.912 -8.000 -7.200 1.00 0.00 N ATOM 1630 CA GLN A 98 0.250 -8.743 -6.726 1.00 0.00 C ATOM 1631 C GLN A 98 -0.145 -10.144 -6.264 1.00 0.00 C ATOM 1632 O GLN A 98 0.367 -11.140 -6.777 1.00 0.00 O ATOM 1633 CB GLN A 98 0.937 -7.981 -5.582 1.00 0.00 C ATOM 1634 CG GLN A 98 2.153 -8.696 -4.989 1.00 0.00 C ATOM 1635 CD GLN A 98 3.250 -8.956 -6.009 1.00 0.00 C ATOM 1636 OE1 GLN A 98 3.284 -10.002 -6.656 1.00 0.00 O ATOM 1637 NE2 GLN A 98 4.157 -8.003 -6.160 1.00 0.00 N ATOM 0 H GLN A 98 -1.131 -7.170 -6.650 1.00 0.00 H new ATOM 0 HA GLN A 98 0.949 -8.844 -7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.249 -7.003 -5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.210 -7.807 -4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.558 -8.096 -4.174 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.834 -9.645 -4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.096 -7.149 -5.606 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.916 -8.123 -6.831 1.00 0.00 H new ATOM 1646 N SER A 99 -1.075 -10.221 -5.319 1.00 0.00 N ATOM 1647 CA SER A 99 -1.468 -11.502 -4.749 1.00 0.00 C ATOM 1648 C SER A 99 -2.190 -12.360 -5.787 1.00 0.00 C ATOM 1649 O SER A 99 -1.922 -13.556 -5.910 1.00 0.00 O ATOM 1650 CB SER A 99 -2.334 -11.282 -3.506 1.00 0.00 C ATOM 1651 OG SER A 99 -1.629 -10.517 -2.543 1.00 0.00 O ATOM 0 H SER A 99 -1.568 -9.416 -4.934 1.00 0.00 H new ATOM 0 HA SER A 99 -0.570 -12.042 -4.447 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.256 -10.770 -3.783 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.619 -12.243 -3.079 1.00 0.00 H new ATOM 0 HG SER A 99 -2.267 -10.093 -1.932 1.00 0.00 H new ATOM 1657 N GLY A 100 -3.068 -11.742 -6.573 1.00 0.00 N ATOM 1658 CA GLY A 100 -3.799 -12.483 -7.585 1.00 0.00 C ATOM 1659 C GLY A 100 -2.873 -13.105 -8.610 1.00 0.00 C ATOM 1660 O GLY A 100 -3.121 -14.213 -9.092 1.00 0.00 O ATOM 0 H GLY A 100 -3.285 -10.746 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.389 -13.265 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.501 -11.817 -8.087 1.00 0.00 H new ATOM 1664 N ALA A 101 -1.793 -12.398 -8.934 1.00 0.00 N ATOM 1665 CA ALA A 101 -0.799 -12.905 -9.875 1.00 0.00 C ATOM 1666 C ALA A 101 0.164 -13.889 -9.203 1.00 0.00 C ATOM 1667 O ALA A 101 0.594 -14.864 -9.823 1.00 0.00 O ATOM 1668 CB ALA A 101 -0.024 -11.748 -10.500 1.00 0.00 C ATOM 0 H ALA A 101 -1.584 -11.473 -8.559 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.329 -13.444 -10.660 1.00 0.00 H new ATOM 0 HB1 ALA A 101 0.714 -12.140 -11.200 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.714 -11.092 -11.030 1.00 0.00 H new ATOM 0 HB3 ALA A 101 0.483 -11.184 -9.717 1.00 0.00 H new ATOM 1674 N ASN A 102 0.488 -13.637 -7.935 1.00 0.00 N ATOM 1675 CA ASN A 102 1.531 -14.400 -7.238 1.00 0.00 C ATOM 1676 C ASN A 102 0.941 -15.485 -6.323 1.00 0.00 C ATOM 1677 O ASN A 102 1.186 -16.678 -6.527 1.00 0.00 O ATOM 1678 CB ASN A 102 2.417 -13.450 -6.420 1.00 0.00 C ATOM 1679 CG ASN A 102 3.698 -14.111 -5.938 1.00 0.00 C ATOM 1680 OD1 ASN A 102 3.729 -14.746 -4.884 1.00 0.00 O ATOM 1681 ND2 ASN A 102 4.770 -13.952 -6.700 1.00 0.00 N ATOM 0 H ASN A 102 0.046 -12.913 -7.368 1.00 0.00 H new ATOM 0 HA ASN A 102 2.131 -14.902 -7.997 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.668 -12.581 -7.028 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.855 -13.086 -5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.660 -14.363 -6.420 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.705 -13.419 -7.567 1.00 0.00 H new ATOM 1688 N LEU A 103 0.154 -15.077 -5.325 1.00 0.00 N ATOM 1689 CA LEU A 103 -0.413 -16.018 -4.350 1.00 0.00 C ATOM 1690 C LEU A 103 -1.784 -15.529 -3.880 1.00 0.00 C ATOM 1691 O LEU A 103 -1.907 -14.446 -3.308 1.00 0.00 O ATOM 1692 CB LEU A 103 0.541 -16.216 -3.149 1.00 0.00 C ATOM 1693 CG LEU A 103 0.716 -15.017 -2.189 1.00 0.00 C ATOM 1694 CD1 LEU A 103 1.553 -15.419 -0.977 1.00 0.00 C ATOM 1695 CD2 LEU A 103 1.349 -13.817 -2.896 1.00 0.00 C ATOM 0 H LEU A 103 -0.106 -14.103 -5.169 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.537 -16.985 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.183 -17.066 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.523 -16.486 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.277 -14.719 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.666 -14.562 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.055 -16.229 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.536 -15.753 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.456 -12.994 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.330 -14.097 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.712 -13.505 -3.723 1.00 0.00 H new ATOM 1707 N VAL A 104 -2.819 -16.322 -4.128 1.00 0.00 N ATOM 1708 CA VAL A 104 -4.186 -15.896 -3.844 1.00 0.00 C ATOM 1709 C VAL A 104 -4.640 -16.338 -2.450 1.00 0.00 C ATOM 1710 O VAL A 104 -4.928 -17.513 -2.205 1.00 0.00 O ATOM 1711 CB VAL A 104 -5.176 -16.399 -4.930 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -5.138 -17.921 -5.070 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -6.591 -15.904 -4.636 1.00 0.00 C ATOM 0 H VAL A 104 -2.740 -17.259 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.189 -14.806 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.860 -15.983 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.844 -18.233 -5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.133 -18.236 -5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.410 -18.381 -4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -7.271 -16.266 -5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.913 -16.278 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -6.601 -14.814 -4.627 1.00 0.00 H new ATOM 1723 N CYS A 105 -4.643 -15.389 -1.522 1.00 0.00 N ATOM 1724 CA CYS A 105 -5.174 -15.604 -0.175 1.00 0.00 C ATOM 1725 C CYS A 105 -6.123 -14.466 0.202 1.00 0.00 C ATOM 1726 O CYS A 105 -6.686 -14.444 1.293 1.00 0.00 O ATOM 1727 CB CYS A 105 -4.023 -15.681 0.840 1.00 0.00 C ATOM 1728 SG CYS A 105 -2.809 -16.977 0.491 1.00 0.00 S ATOM 0 H CYS A 105 -4.279 -14.449 -1.678 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.724 -16.545 -0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.512 -14.718 0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.440 -15.848 1.833 1.00 0.00 H new ATOM 0 HG CYS A 105 -1.880 -16.958 1.401 1.00 0.00 H new ATOM 1734 N ASN A 106 -6.283 -13.524 -0.720 1.00 0.00 N ATOM 1735 CA ASN A 106 -7.014 -12.279 -0.473 1.00 0.00 C ATOM 1736 C ASN A 106 -8.497 -12.376 -0.850 1.00 0.00 C ATOM 1737 O ASN A 106 -9.342 -11.730 -0.228 1.00 0.00 O ATOM 1738 CB ASN A 106 -6.356 -11.141 -1.268 1.00 0.00 C ATOM 1739 CG ASN A 106 -6.296 -11.429 -2.764 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -6.219 -12.586 -3.188 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -6.321 -10.388 -3.574 1.00 0.00 N ATOM 0 H ASN A 106 -5.909 -13.599 -1.666 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.968 -12.081 0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.911 -10.218 -1.101 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.346 -10.977 -0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.276 -10.526 -4.584 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.385 -9.445 -3.191 1.00 0.00 H new ATOM 1748 N THR A 107 -8.802 -13.195 -1.856 1.00 0.00 N ATOM 1749 CA THR A 107 -10.119 -13.196 -2.500 1.00 0.00 C ATOM 1750 C THR A 107 -11.284 -13.330 -1.509 1.00 0.00 C ATOM 1751 O THR A 107 -12.305 -12.650 -1.653 1.00 0.00 O ATOM 1752 CB THR A 107 -10.212 -14.326 -3.548 1.00 0.00 C ATOM 1753 OG1 THR A 107 -9.093 -14.253 -4.441 1.00 0.00 O ATOM 1754 CG2 THR A 107 -11.505 -14.233 -4.353 1.00 0.00 C ATOM 0 H THR A 107 -8.149 -13.874 -2.247 1.00 0.00 H new ATOM 0 HA THR A 107 -10.213 -12.223 -2.983 1.00 0.00 H new ATOM 0 HB THR A 107 -10.205 -15.277 -3.016 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.155 -14.973 -5.103 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.539 -15.043 -5.082 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.359 -14.314 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 107 -11.542 -13.276 -4.873 1.00 0.00 H new ATOM 1762 N ARG A 108 -11.138 -14.191 -0.505 1.00 0.00 N ATOM 1763 CA ARG A 108 -12.222 -14.434 0.449 1.00 0.00 C ATOM 1764 C ARG A 108 -12.140 -13.508 1.670 1.00 0.00 C ATOM 1765 O ARG A 108 -13.140 -12.880 2.011 1.00 0.00 O ATOM 1766 CB ARG A 108 -12.274 -15.911 0.874 1.00 0.00 C ATOM 1767 CG ARG A 108 -12.807 -16.854 -0.207 1.00 0.00 C ATOM 1768 CD ARG A 108 -14.284 -16.600 -0.527 1.00 0.00 C ATOM 1769 NE ARG A 108 -14.502 -15.355 -1.277 1.00 0.00 N ATOM 1770 CZ ARG A 108 -15.532 -14.517 -1.081 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -16.425 -14.757 -0.126 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -15.660 -13.437 -1.842 1.00 0.00 N ATOM 0 H ARG A 108 -10.289 -14.729 -0.330 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.153 -14.200 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.272 -16.232 1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.901 -16.001 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.215 -16.733 -1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.681 -17.886 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.675 -17.438 -1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.850 -16.561 0.403 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.823 -15.110 -1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.330 -15.583 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.205 -14.115 0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -14.976 -13.245 -2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.442 -12.799 -1.695 1.00 0.00 H new ATOM 1786 N PRO A 109 -10.972 -13.406 2.359 1.00 0.00 N ATOM 1787 CA PRO A 109 -10.815 -12.488 3.505 1.00 0.00 C ATOM 1788 C PRO A 109 -11.320 -11.077 3.194 1.00 0.00 C ATOM 1789 O PRO A 109 -11.805 -10.377 4.080 1.00 0.00 O ATOM 1790 CB PRO A 109 -9.304 -12.491 3.752 1.00 0.00 C ATOM 1791 CG PRO A 109 -8.872 -13.847 3.309 1.00 0.00 C ATOM 1792 CD PRO A 109 -9.731 -14.175 2.113 1.00 0.00 C ATOM 0 HA PRO A 109 -11.398 -12.804 4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.804 -11.707 3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -9.070 -12.321 4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.814 -13.855 3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.009 -14.581 4.103 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.252 -13.877 1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.929 -15.245 2.042 1.00 0.00 H new ATOM 1800 N PHE A 110 -11.204 -10.684 1.926 1.00 0.00 N ATOM 1801 CA PHE A 110 -11.749 -9.416 1.435 1.00 0.00 C ATOM 1802 C PHE A 110 -13.201 -9.265 1.898 1.00 0.00 C ATOM 1803 O PHE A 110 -13.523 -8.442 2.760 1.00 0.00 O ATOM 1804 CB PHE A 110 -11.678 -9.411 -0.109 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.928 -8.079 -0.797 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -12.845 -7.152 -0.306 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -11.244 -7.768 -1.965 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -13.065 -5.955 -0.965 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -11.460 -6.573 -2.623 1.00 0.00 C ATOM 1810 CZ PHE A 110 -12.372 -5.667 -2.124 1.00 0.00 C ATOM 0 H PHE A 110 -10.730 -11.234 1.210 1.00 0.00 H new ATOM 0 HA PHE A 110 -11.170 -8.581 1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.692 -9.768 -0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -12.405 -10.131 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -13.391 -7.370 0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -10.531 -8.473 -2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -13.779 -5.246 -0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -10.915 -6.348 -3.528 1.00 0.00 H new ATOM 0 HZ PHE A 110 -12.544 -4.733 -2.639 1.00 0.00 H new ATOM 1820 N ASP A 111 -14.060 -10.108 1.343 1.00 0.00 N ATOM 1821 CA ASP A 111 -15.498 -10.045 1.589 1.00 0.00 C ATOM 1822 C ASP A 111 -15.838 -10.530 2.999 1.00 0.00 C ATOM 1823 O ASP A 111 -16.751 -10.014 3.645 1.00 0.00 O ATOM 1824 CB ASP A 111 -16.225 -10.890 0.532 1.00 0.00 C ATOM 1825 CG ASP A 111 -17.731 -10.943 0.724 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -18.382 -9.878 0.696 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -18.278 -12.062 0.851 1.00 0.00 O ATOM 0 H ASP A 111 -13.782 -10.857 0.708 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.827 -9.009 1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -16.007 -10.485 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.829 -11.905 0.555 1.00 0.00 H new ATOM 1832 N ASN A 112 -15.069 -11.504 3.478 1.00 0.00 N ATOM 1833 CA ASN A 112 -15.309 -12.116 4.786 1.00 0.00 C ATOM 1834 C ASN A 112 -15.081 -11.111 5.915 1.00 0.00 C ATOM 1835 O ASN A 112 -15.792 -11.123 6.921 1.00 0.00 O ATOM 1836 CB ASN A 112 -14.397 -13.339 4.977 1.00 0.00 C ATOM 1837 CG ASN A 112 -14.671 -14.088 6.275 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -15.506 -14.991 6.320 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -13.962 -13.731 7.336 1.00 0.00 N ATOM 0 H ASN A 112 -14.268 -11.890 2.977 1.00 0.00 H new ATOM 0 HA ASN A 112 -16.350 -12.438 4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -14.530 -14.020 4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -13.356 -13.015 4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -14.100 -14.209 8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -13.278 -12.978 7.263 1.00 0.00 H new ATOM 1846 N GLU A 113 -14.082 -10.244 5.750 1.00 0.00 N ATOM 1847 CA GLU A 113 -13.767 -9.239 6.764 1.00 0.00 C ATOM 1848 C GLU A 113 -14.549 -7.951 6.520 1.00 0.00 C ATOM 1849 O GLU A 113 -14.861 -7.221 7.467 1.00 0.00 O ATOM 1850 CB GLU A 113 -12.261 -8.950 6.803 1.00 0.00 C ATOM 1851 CG GLU A 113 -11.413 -10.151 7.217 1.00 0.00 C ATOM 1852 CD GLU A 113 -11.829 -10.732 8.559 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -11.685 -10.037 9.583 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -12.297 -11.892 8.595 1.00 0.00 O ATOM 0 H GLU A 113 -13.480 -10.217 4.927 1.00 0.00 H new ATOM 0 HA GLU A 113 -14.064 -9.642 7.732 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.940 -8.613 5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.076 -8.130 7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.489 -10.924 6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.366 -9.851 7.265 1.00 0.00 H new