USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=27 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 105 CYS SG : rot 33:sc= 0.931 USER MOD Set 1.2: A 106 ASN : amide:sc= 0.5 K(o=1.4,f=-2.8!) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0.283 USER MOD Set 2.2: A 98 GLN : amide:sc= -0.286 X(o=-0.0033,f=0) USER MOD Set 3.1: A 55 TYR OH : rot -155:sc= 0.106 USER MOD Set 3.2: A 59 CYS SG : rot -25:sc= 0.527 USER MOD Set 4.1: A 8 GLN : amide:sc= 0.0396 K(o=1.6,f=-17!) USER MOD Set 4.2: A 12 LYS NZ :NH3+ -104:sc= 1.55 (180deg=-3.54!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.183 K(o=-0.18,f=-0.71) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.822 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0459 F(o=-1.3!,f=-0.046) USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 1.12 (180deg=1.09) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.901 F(o=-2.6,f=-0.9) USER MOD Single : A 28 SER OG : rot 154:sc= 0.0213 USER MOD Single : A 29 SER OG : rot 180:sc= 0.00209 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0379 X(o=-0.038,f=-0.23) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 50:sc= 0.108 USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= -1.46! (180deg=-3.46!) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 0.0669 (180deg=-0.815) USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 72 ASN : amide:sc= -4.25! C(o=-4.2!,f=-9.5!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.153 X(o=0.15,f=-0.019) USER MOD Single : A 81 SER OG : rot 180:sc= 0.87 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-1.8) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.679 USER MOD Single : A 92 TYR OH : rot -95:sc= 0.342 USER MOD Single : A 94 TYR OH : rot -174:sc= -0.277 USER MOD Single : A 96 MET CE :methyl -141:sc= -1.18 (180deg=-3.9!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 14:sc= 0.596 USER MOD Single : A 102 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 45 N GLU A 4 9.648 12.505 -3.005 1.00 0.00 N ATOM 46 CA GLU A 4 10.261 11.776 -1.896 1.00 0.00 C ATOM 47 C GLU A 4 10.280 10.278 -2.185 1.00 0.00 C ATOM 48 O GLU A 4 11.212 9.571 -1.792 1.00 0.00 O ATOM 49 CB GLU A 4 9.520 12.058 -0.586 1.00 0.00 C ATOM 50 CG GLU A 4 9.475 13.535 -0.220 1.00 0.00 C ATOM 51 CD GLU A 4 8.780 13.780 1.107 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.547 13.615 1.172 1.00 0.00 O ATOM 53 OE2 GLU A 4 9.467 14.138 2.088 1.00 0.00 O ATOM 0 HA GLU A 4 11.289 12.121 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.501 11.680 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.002 11.506 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.491 13.926 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.958 14.086 -1.005 1.00 0.00 H new ATOM 60 N LEU A 5 9.251 9.797 -2.879 1.00 0.00 N ATOM 61 CA LEU A 5 9.228 8.411 -3.324 1.00 0.00 C ATOM 62 C LEU A 5 10.169 8.244 -4.508 1.00 0.00 C ATOM 63 O LEU A 5 10.981 7.326 -4.534 1.00 0.00 O ATOM 64 CB LEU A 5 7.815 7.955 -3.730 1.00 0.00 C ATOM 65 CG LEU A 5 7.740 6.505 -4.259 1.00 0.00 C ATOM 66 CD1 LEU A 5 8.073 5.504 -3.155 1.00 0.00 C ATOM 67 CD2 LEU A 5 6.375 6.197 -4.871 1.00 0.00 C ATOM 0 H LEU A 5 8.430 10.343 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 5 9.550 7.791 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.154 8.049 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.435 8.629 -4.498 1.00 0.00 H new ATOM 0 HG LEU A 5 8.485 6.409 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.013 4.491 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.082 5.691 -2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.362 5.615 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.362 5.168 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.600 6.327 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.188 6.876 -5.703 1.00 0.00 H new ATOM 79 N GLU A 6 10.064 9.161 -5.470 1.00 0.00 N ATOM 80 CA GLU A 6 10.821 9.077 -6.723 1.00 0.00 C ATOM 81 C GLU A 6 12.303 9.432 -6.518 1.00 0.00 C ATOM 82 O GLU A 6 13.111 9.301 -7.438 1.00 0.00 O ATOM 83 CB GLU A 6 10.202 10.017 -7.770 1.00 0.00 C ATOM 84 CG GLU A 6 10.761 9.828 -9.178 1.00 0.00 C ATOM 85 CD GLU A 6 10.436 10.987 -10.104 1.00 0.00 C ATOM 86 OE1 GLU A 6 11.208 11.971 -10.121 1.00 0.00 O ATOM 87 OE2 GLU A 6 9.416 10.925 -10.817 1.00 0.00 O ATOM 0 H GLU A 6 9.457 9.978 -5.406 1.00 0.00 H new ATOM 0 HA GLU A 6 10.770 8.046 -7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.124 9.859 -7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.366 11.049 -7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.843 9.708 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.360 8.907 -9.602 1.00 0.00 H new ATOM 94 N ALA A 7 12.640 9.888 -5.312 1.00 0.00 N ATOM 95 CA ALA A 7 13.996 10.343 -4.981 1.00 0.00 C ATOM 96 C ALA A 7 15.083 9.386 -5.480 1.00 0.00 C ATOM 97 O ALA A 7 16.054 9.817 -6.107 1.00 0.00 O ATOM 98 CB ALA A 7 14.127 10.545 -3.473 1.00 0.00 C ATOM 0 H ALA A 7 11.983 9.954 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 7 14.148 11.291 -5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.136 10.882 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.407 11.294 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.931 9.603 -2.961 1.00 0.00 H new ATOM 104 N GLN A 8 14.916 8.094 -5.213 1.00 0.00 N ATOM 105 CA GLN A 8 15.933 7.104 -5.572 1.00 0.00 C ATOM 106 C GLN A 8 15.936 6.870 -7.090 1.00 0.00 C ATOM 107 O GLN A 8 14.880 6.800 -7.725 1.00 0.00 O ATOM 108 CB GLN A 8 15.709 5.786 -4.810 1.00 0.00 C ATOM 109 CG GLN A 8 15.798 5.915 -3.285 1.00 0.00 C ATOM 110 CD GLN A 8 14.668 6.740 -2.682 1.00 0.00 C ATOM 111 OE1 GLN A 8 13.558 6.775 -3.213 1.00 0.00 O ATOM 112 NE2 GLN A 8 14.938 7.409 -1.574 1.00 0.00 N ATOM 0 H GLN A 8 14.092 7.707 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 8 16.910 7.492 -5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.728 5.391 -5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.447 5.057 -5.145 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.788 4.919 -2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.752 6.371 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.869 7.357 -1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.215 7.977 -1.132 1.00 0.00 H new ATOM 121 N THR A 9 17.128 6.698 -7.652 1.00 0.00 N ATOM 122 CA THR A 9 17.322 6.786 -9.099 1.00 0.00 C ATOM 123 C THR A 9 17.187 5.429 -9.809 1.00 0.00 C ATOM 124 O THR A 9 17.723 4.415 -9.355 1.00 0.00 O ATOM 125 CB THR A 9 18.711 7.400 -9.403 1.00 0.00 C ATOM 126 OG1 THR A 9 18.916 8.559 -8.587 1.00 0.00 O ATOM 127 CG2 THR A 9 18.845 7.794 -10.869 1.00 0.00 C ATOM 0 H THR A 9 17.979 6.496 -7.127 1.00 0.00 H new ATOM 0 HA THR A 9 16.530 7.426 -9.487 1.00 0.00 H new ATOM 0 HB THR A 9 19.463 6.642 -9.182 1.00 0.00 H new ATOM 0 HG1 THR A 9 19.796 8.944 -8.781 1.00 0.00 H new ATOM 0 HG21 THR A 9 19.833 8.221 -11.042 1.00 0.00 H new ATOM 0 HG22 THR A 9 18.716 6.912 -11.496 1.00 0.00 H new ATOM 0 HG23 THR A 9 18.082 8.532 -11.119 1.00 0.00 H new ATOM 135 N ARG A 10 16.431 5.440 -10.918 1.00 0.00 N ATOM 136 CA ARG A 10 16.237 4.275 -11.803 1.00 0.00 C ATOM 137 C ARG A 10 15.627 3.069 -11.084 1.00 0.00 C ATOM 138 O ARG A 10 15.504 1.994 -11.670 1.00 0.00 O ATOM 139 CB ARG A 10 17.564 3.873 -12.481 1.00 0.00 C ATOM 140 CG ARG A 10 17.842 4.585 -13.807 1.00 0.00 C ATOM 141 CD ARG A 10 17.785 6.101 -13.677 1.00 0.00 C ATOM 142 NE ARG A 10 18.236 6.779 -14.894 1.00 0.00 N ATOM 143 CZ ARG A 10 17.769 7.954 -15.317 1.00 0.00 C ATOM 144 NH1 ARG A 10 16.777 8.554 -14.668 1.00 0.00 N ATOM 145 NH2 ARG A 10 18.286 8.524 -16.392 1.00 0.00 N ATOM 0 H ARG A 10 15.929 6.270 -11.232 1.00 0.00 H new ATOM 0 HA ARG A 10 15.521 4.587 -12.564 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.385 4.079 -11.794 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.556 2.797 -12.656 1.00 0.00 H new ATOM 0 HG2 ARG A 10 18.825 4.292 -14.174 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.114 4.260 -14.550 1.00 0.00 H new ATOM 0 HD2 ARG A 10 16.763 6.406 -13.451 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.405 6.415 -12.837 1.00 0.00 H new ATOM 0 HE ARG A 10 18.955 6.322 -15.455 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.369 8.116 -13.842 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.423 9.453 -14.996 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.043 8.065 -16.899 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.928 9.423 -16.715 1.00 0.00 H new ATOM 159 N VAL A 11 15.237 3.241 -9.829 1.00 0.00 N ATOM 160 CA VAL A 11 14.485 2.216 -9.118 1.00 0.00 C ATOM 161 C VAL A 11 13.061 2.694 -8.878 1.00 0.00 C ATOM 162 O VAL A 11 12.106 1.927 -8.978 1.00 0.00 O ATOM 163 CB VAL A 11 15.158 1.822 -7.775 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.305 3.031 -6.853 1.00 0.00 C ATOM 165 CG2 VAL A 11 14.385 0.695 -7.084 1.00 0.00 C ATOM 0 H VAL A 11 15.429 4.080 -9.282 1.00 0.00 H new ATOM 0 HA VAL A 11 14.469 1.323 -9.743 1.00 0.00 H new ATOM 0 HB VAL A 11 16.159 1.454 -8.001 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.779 2.723 -5.921 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.920 3.788 -7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.321 3.447 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.877 0.438 -6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.366 1.024 -6.881 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.361 -0.181 -7.733 1.00 0.00 H new ATOM 175 N LYS A 12 12.925 3.984 -8.581 1.00 0.00 N ATOM 176 CA LYS A 12 11.624 4.561 -8.266 1.00 0.00 C ATOM 177 C LYS A 12 10.936 5.083 -9.520 1.00 0.00 C ATOM 178 O LYS A 12 9.712 5.131 -9.586 1.00 0.00 O ATOM 179 CB LYS A 12 11.780 5.684 -7.240 1.00 0.00 C ATOM 180 CG LYS A 12 12.343 5.220 -5.900 1.00 0.00 C ATOM 181 CD LYS A 12 11.425 4.214 -5.208 1.00 0.00 C ATOM 182 CE LYS A 12 11.818 3.993 -3.749 1.00 0.00 C ATOM 183 NZ LYS A 12 11.570 5.205 -2.921 1.00 0.00 N ATOM 0 H LYS A 12 13.699 4.647 -8.552 1.00 0.00 H new ATOM 0 HA LYS A 12 10.999 3.776 -7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.435 6.452 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.808 6.149 -7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.323 4.768 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.489 6.083 -5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.396 4.569 -5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.460 3.264 -5.741 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.253 3.154 -3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.873 3.724 -3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.473 5.683 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.939 5.853 -3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.125 4.927 -2.023 1.00 0.00 H new ATOM 197 N LEU A 13 11.731 5.463 -10.514 1.00 0.00 N ATOM 198 CA LEU A 13 11.195 6.001 -11.763 1.00 0.00 C ATOM 199 C LEU A 13 10.505 4.898 -12.568 1.00 0.00 C ATOM 200 O LEU A 13 9.418 5.101 -13.116 1.00 0.00 O ATOM 201 CB LEU A 13 12.309 6.660 -12.595 1.00 0.00 C ATOM 202 CG LEU A 13 12.911 7.959 -12.012 1.00 0.00 C ATOM 203 CD1 LEU A 13 13.667 7.694 -10.709 1.00 0.00 C ATOM 204 CD2 LEU A 13 13.825 8.635 -13.034 1.00 0.00 C ATOM 0 H LEU A 13 12.749 5.409 -10.481 1.00 0.00 H new ATOM 0 HA LEU A 13 10.456 6.764 -11.518 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.114 5.937 -12.726 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.913 6.879 -13.587 1.00 0.00 H new ATOM 0 HG LEU A 13 12.084 8.631 -11.784 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.076 8.630 -10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.985 7.270 -9.972 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.480 6.992 -10.896 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.239 9.547 -12.605 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.637 7.958 -13.300 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.252 8.882 -13.928 1.00 0.00 H new ATOM 216 N ASN A 14 11.141 3.726 -12.627 1.00 0.00 N ATOM 217 CA ASN A 14 10.558 2.567 -13.304 1.00 0.00 C ATOM 218 C ASN A 14 9.302 2.122 -12.566 1.00 0.00 C ATOM 219 O ASN A 14 8.261 1.841 -13.182 1.00 0.00 O ATOM 220 CB ASN A 14 11.568 1.412 -13.375 1.00 0.00 C ATOM 221 CG ASN A 14 12.795 1.747 -14.207 1.00 0.00 C ATOM 222 OD1 ASN A 14 12.725 2.530 -15.156 1.00 0.00 O ATOM 223 ND2 ASN A 14 13.928 1.160 -13.854 1.00 0.00 N ATOM 0 H ASN A 14 12.058 3.555 -12.215 1.00 0.00 H new ATOM 0 HA ASN A 14 10.296 2.852 -14.323 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.882 1.148 -12.365 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.079 0.534 -13.796 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.785 1.350 -14.374 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.944 0.518 -13.062 1.00 0.00 H new ATOM 230 N TYR A 15 9.416 2.066 -11.238 1.00 0.00 N ATOM 231 CA TYR A 15 8.281 1.772 -10.372 1.00 0.00 C ATOM 232 C TYR A 15 7.142 2.741 -10.657 1.00 0.00 C ATOM 233 O TYR A 15 6.001 2.327 -10.820 1.00 0.00 O ATOM 234 CB TYR A 15 8.696 1.868 -8.897 1.00 0.00 C ATOM 235 CG TYR A 15 7.559 1.649 -7.909 1.00 0.00 C ATOM 236 CD1 TYR A 15 7.093 0.368 -7.624 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.957 2.724 -7.257 1.00 0.00 C ATOM 238 CE1 TYR A 15 6.065 0.168 -6.721 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.933 2.528 -6.355 1.00 0.00 C ATOM 240 CZ TYR A 15 5.490 1.251 -6.091 1.00 0.00 C ATOM 241 OH TYR A 15 4.471 1.056 -5.191 1.00 0.00 O ATOM 0 H TYR A 15 10.292 2.222 -10.739 1.00 0.00 H new ATOM 0 HA TYR A 15 7.942 0.756 -10.574 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.477 1.132 -8.703 1.00 0.00 H new ATOM 0 HB3 TYR A 15 9.133 2.851 -8.718 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.541 -0.482 -8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.299 3.728 -7.462 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.714 -0.832 -6.510 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.480 3.373 -5.857 1.00 0.00 H new ATOM 0 HH TYR A 15 4.581 0.185 -4.756 1.00 0.00 H new ATOM 251 N LEU A 16 7.475 4.030 -10.724 1.00 0.00 N ATOM 252 CA LEU A 16 6.498 5.075 -11.021 1.00 0.00 C ATOM 253 C LEU A 16 5.749 4.755 -12.306 1.00 0.00 C ATOM 254 O LEU A 16 4.520 4.742 -12.329 1.00 0.00 O ATOM 255 CB LEU A 16 7.193 6.442 -11.149 1.00 0.00 C ATOM 256 CG LEU A 16 6.304 7.590 -11.665 1.00 0.00 C ATOM 257 CD1 LEU A 16 5.133 7.842 -10.721 1.00 0.00 C ATOM 258 CD2 LEU A 16 7.126 8.861 -11.862 1.00 0.00 C ATOM 0 H LEU A 16 8.423 4.377 -10.575 1.00 0.00 H new ATOM 0 HA LEU A 16 5.785 5.117 -10.198 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.589 6.722 -10.173 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.046 6.336 -11.820 1.00 0.00 H new ATOM 0 HG LEU A 16 5.897 7.294 -12.632 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.522 8.657 -11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.527 6.939 -10.644 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.512 8.110 -9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.480 9.659 -12.227 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.569 9.159 -10.912 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.917 8.674 -12.588 1.00 0.00 H new ATOM 270 N ASP A 17 6.505 4.483 -13.366 1.00 0.00 N ATOM 271 CA ASP A 17 5.927 4.170 -14.670 1.00 0.00 C ATOM 272 C ASP A 17 4.885 3.062 -14.538 1.00 0.00 C ATOM 273 O ASP A 17 3.701 3.266 -14.824 1.00 0.00 O ATOM 274 CB ASP A 17 7.029 3.742 -15.652 1.00 0.00 C ATOM 275 CG ASP A 17 6.500 3.504 -17.061 1.00 0.00 C ATOM 276 OD1 ASP A 17 6.404 4.481 -17.833 1.00 0.00 O ATOM 277 OD2 ASP A 17 6.185 2.343 -17.406 1.00 0.00 O ATOM 0 H ASP A 17 7.525 4.473 -13.347 1.00 0.00 H new ATOM 0 HA ASP A 17 5.439 5.065 -15.056 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.801 4.511 -15.683 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.502 2.830 -15.287 1.00 0.00 H new ATOM 282 N GLN A 18 5.328 1.905 -14.053 1.00 0.00 N ATOM 283 CA GLN A 18 4.459 0.735 -13.932 1.00 0.00 C ATOM 284 C GLN A 18 3.294 0.998 -12.972 1.00 0.00 C ATOM 285 O GLN A 18 2.121 0.917 -13.356 1.00 0.00 O ATOM 286 CB GLN A 18 5.262 -0.472 -13.433 1.00 0.00 C ATOM 287 CG GLN A 18 4.437 -1.748 -13.310 1.00 0.00 C ATOM 288 CD GLN A 18 5.180 -2.875 -12.616 1.00 0.00 C ATOM 289 OE1 GLN A 18 6.034 -2.530 -11.661 1.00 0.00 O flip ATOM 290 NE2 GLN A 18 4.977 -4.051 -12.926 1.00 0.00 N flip ATOM 0 H GLN A 18 6.285 1.751 -13.736 1.00 0.00 H new ATOM 0 HA GLN A 18 4.052 0.525 -14.921 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.093 -0.651 -14.115 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.693 -0.234 -12.461 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.523 -1.530 -12.758 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.138 -2.077 -14.305 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.312 -4.276 -13.666 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.474 -4.799 -12.442 1.00 0.00 H new ATOM 299 N ILE A 19 3.635 1.321 -11.725 1.00 0.00 N ATOM 300 CA ILE A 19 2.654 1.446 -10.650 1.00 0.00 C ATOM 301 C ILE A 19 1.577 2.469 -11.015 1.00 0.00 C ATOM 302 O ILE A 19 0.383 2.208 -10.862 1.00 0.00 O ATOM 303 CB ILE A 19 3.335 1.833 -9.297 1.00 0.00 C ATOM 304 CG1 ILE A 19 2.446 1.453 -8.102 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.690 3.320 -9.237 1.00 0.00 C ATOM 306 CD1 ILE A 19 2.410 -0.036 -7.829 1.00 0.00 C ATOM 0 H ILE A 19 4.595 1.503 -11.433 1.00 0.00 H new ATOM 0 HA ILE A 19 2.181 0.472 -10.522 1.00 0.00 H new ATOM 0 HB ILE A 19 4.264 1.266 -9.239 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.806 1.969 -7.212 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.431 1.806 -8.287 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.161 3.543 -8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.380 3.562 -10.046 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.783 3.915 -9.343 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.764 -0.233 -6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.022 -0.557 -8.704 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.418 -0.391 -7.613 1.00 0.00 H new ATOM 318 N ALA A 20 2.003 3.613 -11.544 1.00 0.00 N ATOM 319 CA ALA A 20 1.082 4.684 -11.888 1.00 0.00 C ATOM 320 C ALA A 20 0.205 4.270 -13.057 1.00 0.00 C ATOM 321 O ALA A 20 -1.012 4.379 -12.993 1.00 0.00 O ATOM 322 CB ALA A 20 1.836 5.968 -12.213 1.00 0.00 C ATOM 0 H ALA A 20 2.982 3.819 -11.743 1.00 0.00 H new ATOM 0 HA ALA A 20 0.445 4.877 -11.025 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.124 6.754 -12.467 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.422 6.275 -11.347 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.502 5.795 -13.058 1.00 0.00 H new ATOM 328 N LYS A 21 0.830 3.758 -14.113 1.00 0.00 N ATOM 329 CA LYS A 21 0.105 3.406 -15.332 1.00 0.00 C ATOM 330 C LYS A 21 -0.908 2.286 -15.094 1.00 0.00 C ATOM 331 O LYS A 21 -1.897 2.183 -15.822 1.00 0.00 O ATOM 332 CB LYS A 21 1.088 3.039 -16.458 1.00 0.00 C ATOM 333 CG LYS A 21 1.532 4.217 -17.344 1.00 0.00 C ATOM 334 CD LYS A 21 2.095 5.417 -16.563 1.00 0.00 C ATOM 335 CE LYS A 21 1.000 6.380 -16.102 1.00 0.00 C ATOM 336 NZ LYS A 21 1.548 7.655 -15.565 1.00 0.00 N ATOM 0 H LYS A 21 1.833 3.578 -14.151 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.462 4.283 -15.642 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.973 2.585 -16.013 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.625 2.282 -17.091 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.290 3.865 -18.043 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.681 4.551 -17.938 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.646 5.055 -15.695 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.806 5.954 -17.191 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.337 6.598 -16.939 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.396 5.897 -15.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.767 8.310 -15.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.076 7.464 -14.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.185 8.083 -16.268 1.00 0.00 H new ATOM 350 N PHE A 22 -0.677 1.453 -14.083 1.00 0.00 N ATOM 351 CA PHE A 22 -1.658 0.433 -13.717 1.00 0.00 C ATOM 352 C PHE A 22 -2.972 1.084 -13.278 1.00 0.00 C ATOM 353 O PHE A 22 -4.024 0.863 -13.880 1.00 0.00 O ATOM 354 CB PHE A 22 -1.131 -0.475 -12.591 1.00 0.00 C ATOM 355 CG PHE A 22 -2.176 -1.441 -12.074 1.00 0.00 C ATOM 356 CD1 PHE A 22 -2.623 -2.487 -12.872 1.00 0.00 C ATOM 357 CD2 PHE A 22 -2.726 -1.296 -10.803 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.591 -3.361 -12.417 1.00 0.00 C ATOM 359 CE2 PHE A 22 -3.691 -2.172 -10.346 1.00 0.00 C ATOM 360 CZ PHE A 22 -4.125 -3.203 -11.153 1.00 0.00 C ATOM 0 H PHE A 22 0.167 1.462 -13.510 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.836 -0.180 -14.600 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.273 -1.038 -12.957 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.777 0.145 -11.767 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.208 -2.618 -13.861 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.394 -0.489 -10.167 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.930 -4.168 -13.050 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.106 -2.050 -9.356 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.882 -3.886 -10.797 1.00 0.00 H new ATOM 370 N TRP A 23 -2.887 1.911 -12.245 1.00 0.00 N ATOM 371 CA TRP A 23 -4.069 2.476 -11.596 1.00 0.00 C ATOM 372 C TRP A 23 -4.617 3.677 -12.369 1.00 0.00 C ATOM 373 O TRP A 23 -5.832 3.862 -12.475 1.00 0.00 O ATOM 374 CB TRP A 23 -3.705 2.874 -10.160 1.00 0.00 C ATOM 375 CG TRP A 23 -4.846 3.402 -9.341 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.839 4.523 -8.571 1.00 0.00 C ATOM 377 CD2 TRP A 23 -6.151 2.827 -9.203 1.00 0.00 C ATOM 378 NE1 TRP A 23 -6.056 4.686 -7.961 1.00 0.00 N ATOM 379 CE2 TRP A 23 -6.880 3.656 -8.333 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.774 1.695 -9.734 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -8.200 3.384 -7.976 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -8.081 1.426 -9.384 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.785 2.266 -8.513 1.00 0.00 C ATOM 0 H TRP A 23 -2.003 2.210 -11.833 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.856 1.722 -11.581 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.285 2.005 -9.653 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.922 3.631 -10.196 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.996 5.189 -8.457 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.307 5.449 -7.333 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.241 1.041 -10.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.742 4.030 -7.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.570 0.552 -9.789 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.808 2.029 -8.259 1.00 0.00 H new ATOM 394 N GLU A 24 -3.713 4.462 -12.939 1.00 0.00 N ATOM 395 CA GLU A 24 -4.071 5.714 -13.603 1.00 0.00 C ATOM 396 C GLU A 24 -4.776 5.441 -14.935 1.00 0.00 C ATOM 397 O GLU A 24 -5.476 6.305 -15.470 1.00 0.00 O ATOM 398 CB GLU A 24 -2.806 6.560 -13.808 1.00 0.00 C ATOM 399 CG GLU A 24 -3.053 7.979 -14.309 1.00 0.00 C ATOM 400 CD GLU A 24 -1.775 8.806 -14.334 1.00 0.00 C ATOM 401 OE1 GLU A 24 -1.007 8.697 -15.313 1.00 0.00 O ATOM 402 OE2 GLU A 24 -1.520 9.548 -13.362 1.00 0.00 O ATOM 0 H GLU A 24 -2.715 4.253 -12.956 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.768 6.268 -12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.266 6.614 -12.863 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.156 6.048 -14.518 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.479 7.940 -15.311 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.788 8.467 -13.669 1.00 0.00 H new ATOM 409 N ILE A 25 -4.575 4.236 -15.471 1.00 0.00 N ATOM 410 CA ILE A 25 -5.251 3.802 -16.699 1.00 0.00 C ATOM 411 C ILE A 25 -6.399 2.835 -16.370 1.00 0.00 C ATOM 412 O ILE A 25 -7.299 2.625 -17.184 1.00 0.00 O ATOM 413 CB ILE A 25 -4.246 3.149 -17.706 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.373 4.220 -18.397 1.00 0.00 C ATOM 415 CG2 ILE A 25 -4.964 2.304 -18.763 1.00 0.00 C ATOM 416 CD1 ILE A 25 -2.459 4.992 -17.468 1.00 0.00 C ATOM 0 H ILE A 25 -3.946 3.538 -15.073 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.670 4.686 -17.179 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.602 2.490 -17.123 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.765 3.735 -19.161 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.027 4.926 -18.910 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.230 1.869 -19.441 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.523 1.506 -18.273 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.651 2.934 -19.328 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.887 5.720 -18.043 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.056 5.511 -16.718 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.775 4.302 -16.974 1.00 0.00 H new ATOM 428 N GLN A 26 -6.382 2.286 -15.151 1.00 0.00 N ATOM 429 CA GLN A 26 -7.421 1.352 -14.689 1.00 0.00 C ATOM 430 C GLN A 26 -8.813 1.958 -14.885 1.00 0.00 C ATOM 431 O GLN A 26 -9.794 1.246 -15.106 1.00 0.00 O ATOM 432 CB GLN A 26 -7.184 1.006 -13.203 1.00 0.00 C ATOM 433 CG GLN A 26 -7.990 -0.188 -12.669 1.00 0.00 C ATOM 434 CD GLN A 26 -9.464 0.108 -12.411 1.00 0.00 C ATOM 435 OE1 GLN A 26 -9.777 1.341 -12.036 1.00 0.00 O flip ATOM 436 NE2 GLN A 26 -10.314 -0.775 -12.534 1.00 0.00 N flip ATOM 0 H GLN A 26 -5.655 2.473 -14.460 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.365 0.437 -15.279 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.123 0.800 -13.060 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.423 1.883 -12.601 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.917 -1.008 -13.383 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.534 -0.532 -11.741 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.037 -1.713 -12.824 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.295 -0.568 -12.345 1.00 0.00 H new ATOM 445 N GLY A 27 -8.874 3.283 -14.835 1.00 0.00 N ATOM 446 CA GLY A 27 -10.140 3.993 -14.888 1.00 0.00 C ATOM 447 C GLY A 27 -10.290 4.932 -13.712 1.00 0.00 C ATOM 448 O GLY A 27 -11.402 5.340 -13.363 1.00 0.00 O ATOM 0 H GLY A 27 -8.056 3.887 -14.757 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.205 4.558 -15.818 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.962 3.277 -14.892 1.00 0.00 H new ATOM 452 N SER A 28 -9.159 5.263 -13.096 1.00 0.00 N ATOM 453 CA SER A 28 -9.124 6.121 -11.921 1.00 0.00 C ATOM 454 C SER A 28 -7.821 6.917 -11.900 1.00 0.00 C ATOM 455 O SER A 28 -6.939 6.690 -12.729 1.00 0.00 O ATOM 456 CB SER A 28 -9.250 5.272 -10.650 1.00 0.00 C ATOM 457 OG SER A 28 -10.468 4.542 -10.642 1.00 0.00 O ATOM 0 H SER A 28 -8.240 4.942 -13.400 1.00 0.00 H new ATOM 0 HA SER A 28 -9.961 6.818 -11.960 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.409 4.582 -10.585 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.203 5.916 -9.772 1.00 0.00 H new ATOM 0 HG SER A 28 -10.362 3.734 -10.097 1.00 0.00 H new ATOM 463 N SER A 29 -7.711 7.852 -10.964 1.00 0.00 N ATOM 464 CA SER A 29 -6.494 8.633 -10.790 1.00 0.00 C ATOM 465 C SER A 29 -5.697 8.112 -9.594 1.00 0.00 C ATOM 466 O SER A 29 -6.276 7.667 -8.598 1.00 0.00 O ATOM 467 CB SER A 29 -6.852 10.114 -10.601 1.00 0.00 C ATOM 468 OG SER A 29 -7.851 10.276 -9.604 1.00 0.00 O ATOM 0 H SER A 29 -8.457 8.088 -10.309 1.00 0.00 H new ATOM 0 HA SER A 29 -5.874 8.534 -11.681 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.960 10.674 -10.320 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.205 10.529 -11.545 1.00 0.00 H new ATOM 0 HG SER A 29 -8.060 11.228 -9.502 1.00 0.00 H new ATOM 474 N LEU A 30 -4.372 8.155 -9.700 1.00 0.00 N ATOM 475 CA LEU A 30 -3.501 7.717 -8.619 1.00 0.00 C ATOM 476 C LEU A 30 -3.451 8.779 -7.526 1.00 0.00 C ATOM 477 O LEU A 30 -3.320 9.971 -7.814 1.00 0.00 O ATOM 478 CB LEU A 30 -2.088 7.426 -9.149 1.00 0.00 C ATOM 479 CG LEU A 30 -1.072 6.944 -8.094 1.00 0.00 C ATOM 480 CD1 LEU A 30 -1.547 5.652 -7.429 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.305 6.751 -8.722 1.00 0.00 C ATOM 0 H LEU A 30 -3.879 8.490 -10.527 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.904 6.796 -8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.160 6.670 -9.931 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.700 8.331 -9.616 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.994 7.712 -7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.813 5.333 -6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.505 5.826 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.662 4.875 -8.185 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.007 6.411 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.242 6.007 -9.516 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.651 7.697 -9.138 1.00 0.00 H new ATOM 493 N LYS A 31 -3.574 8.342 -6.279 1.00 0.00 N ATOM 494 CA LYS A 31 -3.555 9.247 -5.137 1.00 0.00 C ATOM 495 C LYS A 31 -2.818 8.612 -3.962 1.00 0.00 C ATOM 496 O LYS A 31 -3.323 7.683 -3.324 1.00 0.00 O ATOM 497 CB LYS A 31 -4.984 9.614 -4.714 1.00 0.00 C ATOM 498 CG LYS A 31 -5.041 10.600 -3.548 1.00 0.00 C ATOM 499 CD LYS A 31 -6.460 10.780 -3.021 1.00 0.00 C ATOM 500 CE LYS A 31 -7.407 11.328 -4.084 1.00 0.00 C ATOM 501 NZ LYS A 31 -8.791 11.469 -3.564 1.00 0.00 N ATOM 0 H LYS A 31 -3.689 7.359 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.031 10.155 -5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.508 10.043 -5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.517 8.705 -4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.397 10.246 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.649 11.565 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.836 9.822 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.445 11.457 -2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.047 12.297 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.408 10.664 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.407 11.844 -4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.144 10.539 -3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.793 12.123 -2.755 1.00 0.00 H new ATOM 515 N ILE A 32 -1.618 9.109 -3.691 1.00 0.00 N ATOM 516 CA ILE A 32 -0.834 8.685 -2.537 1.00 0.00 C ATOM 517 C ILE A 32 -0.378 9.919 -1.746 1.00 0.00 C ATOM 518 O ILE A 32 0.695 10.475 -1.991 1.00 0.00 O ATOM 519 CB ILE A 32 0.379 7.801 -2.949 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.154 8.437 -4.117 1.00 0.00 C ATOM 521 CG2 ILE A 32 -0.087 6.390 -3.315 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.330 7.607 -4.594 1.00 0.00 C ATOM 0 H ILE A 32 -1.160 9.817 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.467 8.066 -1.901 1.00 0.00 H new ATOM 0 HB ILE A 32 1.054 7.732 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.470 8.595 -4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.515 9.419 -3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.774 5.785 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.581 5.936 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.786 6.443 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.827 8.119 -5.418 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.035 7.470 -3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.975 6.634 -4.933 1.00 0.00 H new ATOM 534 N PRO A 33 -1.235 10.389 -0.813 1.00 0.00 N ATOM 535 CA PRO A 33 -1.007 11.627 -0.048 1.00 0.00 C ATOM 536 C PRO A 33 0.221 11.574 0.862 1.00 0.00 C ATOM 537 O PRO A 33 1.013 10.627 0.822 1.00 0.00 O ATOM 538 CB PRO A 33 -2.293 11.780 0.790 1.00 0.00 C ATOM 539 CG PRO A 33 -3.296 10.906 0.119 1.00 0.00 C ATOM 540 CD PRO A 33 -2.511 9.757 -0.440 1.00 0.00 C ATOM 0 HA PRO A 33 -0.807 12.465 -0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.130 11.473 1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.627 12.817 0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.051 10.560 0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.821 11.444 -0.670 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.371 8.966 0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.007 9.308 -1.300 1.00 0.00 H new ATOM 548 N ASN A 34 0.352 12.602 1.697 1.00 0.00 N ATOM 549 CA ASN A 34 1.513 12.776 2.556 1.00 0.00 C ATOM 550 C ASN A 34 1.074 12.937 3.999 1.00 0.00 C ATOM 551 O ASN A 34 0.005 13.486 4.277 1.00 0.00 O ATOM 552 CB ASN A 34 2.310 14.016 2.120 1.00 0.00 C ATOM 553 CG ASN A 34 2.608 14.033 0.628 1.00 0.00 C ATOM 554 OD1 ASN A 34 3.652 13.559 0.183 1.00 0.00 O ATOM 555 ND2 ASN A 34 1.686 14.575 -0.157 1.00 0.00 N ATOM 0 H ASN A 34 -0.348 13.338 1.795 1.00 0.00 H new ATOM 0 HA ASN A 34 2.146 11.893 2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.750 14.913 2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.248 14.052 2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.831 14.608 -1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.832 14.958 0.249 1.00 0.00 H new ATOM 562 N VAL A 35 1.897 12.442 4.907 1.00 0.00 N ATOM 563 CA VAL A 35 1.656 12.588 6.333 1.00 0.00 C ATOM 564 C VAL A 35 2.988 12.721 7.083 1.00 0.00 C ATOM 565 O VAL A 35 3.898 11.909 6.893 1.00 0.00 O ATOM 566 CB VAL A 35 0.818 11.400 6.903 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.359 10.062 6.411 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.773 11.440 8.430 1.00 0.00 C ATOM 0 H VAL A 35 2.749 11.929 4.678 1.00 0.00 H new ATOM 0 HA VAL A 35 1.073 13.497 6.482 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.202 11.507 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.757 9.252 6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.314 10.030 5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.393 9.946 6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.183 10.601 8.799 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.786 11.372 8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.318 12.375 8.756 1.00 0.00 H new ATOM 578 N GLU A 36 3.109 13.781 7.892 1.00 0.00 N ATOM 579 CA GLU A 36 4.309 14.028 8.703 1.00 0.00 C ATOM 580 C GLU A 36 5.535 14.286 7.820 1.00 0.00 C ATOM 581 O GLU A 36 6.677 14.119 8.257 1.00 0.00 O ATOM 582 CB GLU A 36 4.575 12.865 9.667 1.00 0.00 C ATOM 583 CG GLU A 36 3.442 12.602 10.660 1.00 0.00 C ATOM 584 CD GLU A 36 3.088 13.819 11.506 1.00 0.00 C ATOM 585 OE1 GLU A 36 3.772 14.063 12.524 1.00 0.00 O ATOM 586 OE2 GLU A 36 2.121 14.536 11.163 1.00 0.00 O ATOM 0 H GLU A 36 2.382 14.488 8.003 1.00 0.00 H new ATOM 0 HA GLU A 36 4.124 14.925 9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.751 11.960 9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.490 13.071 10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.557 12.278 10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.728 11.781 11.318 1.00 0.00 H new ATOM 593 N ARG A 37 5.268 14.699 6.580 1.00 0.00 N ATOM 594 CA ARG A 37 6.300 14.977 5.566 1.00 0.00 C ATOM 595 C ARG A 37 6.887 13.686 4.999 1.00 0.00 C ATOM 596 O ARG A 37 7.980 13.684 4.432 1.00 0.00 O ATOM 597 CB ARG A 37 7.425 15.900 6.084 1.00 0.00 C ATOM 598 CG ARG A 37 7.000 17.356 6.295 1.00 0.00 C ATOM 599 CD ARG A 37 6.238 17.543 7.597 1.00 0.00 C ATOM 600 NE ARG A 37 7.080 17.253 8.758 1.00 0.00 N ATOM 601 CZ ARG A 37 6.642 17.203 10.013 1.00 0.00 C ATOM 602 NH1 ARG A 37 5.360 17.419 10.283 1.00 0.00 N ATOM 603 NH2 ARG A 37 7.489 16.934 10.995 1.00 0.00 N ATOM 0 H ARG A 37 4.318 14.853 6.242 1.00 0.00 H new ATOM 0 HA ARG A 37 5.793 15.514 4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.799 15.503 7.028 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.254 15.875 5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.883 17.995 6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.376 17.676 5.460 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.870 18.567 7.660 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.366 16.889 7.606 1.00 0.00 H new ATOM 0 HE ARG A 37 8.071 17.077 8.594 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.707 17.624 9.527 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.028 17.380 11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.473 16.766 10.788 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.157 16.895 11.959 1.00 0.00 H new ATOM 617 N ARG A 38 6.156 12.593 5.162 1.00 0.00 N ATOM 618 CA ARG A 38 6.468 11.344 4.478 1.00 0.00 C ATOM 619 C ARG A 38 5.348 11.017 3.500 1.00 0.00 C ATOM 620 O ARG A 38 4.191 10.854 3.898 1.00 0.00 O ATOM 621 CB ARG A 38 6.663 10.193 5.483 1.00 0.00 C ATOM 622 CG ARG A 38 6.574 8.791 4.866 1.00 0.00 C ATOM 623 CD ARG A 38 7.627 8.541 3.789 1.00 0.00 C ATOM 624 NE ARG A 38 8.984 8.502 4.330 1.00 0.00 N ATOM 625 CZ ARG A 38 10.074 8.303 3.591 1.00 0.00 C ATOM 626 NH1 ARG A 38 9.968 8.043 2.291 1.00 0.00 N ATOM 627 NH2 ARG A 38 11.266 8.322 4.168 1.00 0.00 N ATOM 0 H ARG A 38 5.336 12.545 5.767 1.00 0.00 H new ATOM 0 HA ARG A 38 7.404 11.464 3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.636 10.305 5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.911 10.280 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.685 8.046 5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.582 8.653 4.435 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.412 7.597 3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.563 9.325 3.034 1.00 0.00 H new ATOM 0 HE ARG A 38 9.104 8.635 5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.048 7.995 1.854 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.807 7.892 1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.344 8.488 5.171 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.106 8.170 3.609 1.00 0.00 H new ATOM 641 N ILE A 39 5.694 10.960 2.222 1.00 0.00 N ATOM 642 CA ILE A 39 4.756 10.572 1.178 1.00 0.00 C ATOM 643 C ILE A 39 4.360 9.109 1.372 1.00 0.00 C ATOM 644 O ILE A 39 5.115 8.330 1.957 1.00 0.00 O ATOM 645 CB ILE A 39 5.386 10.804 -0.228 1.00 0.00 C ATOM 646 CG1 ILE A 39 4.354 10.639 -1.370 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.589 9.882 -0.440 1.00 0.00 C ATOM 648 CD1 ILE A 39 4.244 9.236 -1.939 1.00 0.00 C ATOM 0 H ILE A 39 6.629 11.181 1.880 1.00 0.00 H new ATOM 0 HA ILE A 39 3.859 11.188 1.244 1.00 0.00 H new ATOM 0 HB ILE A 39 5.729 11.838 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.374 10.943 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.616 11.323 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.014 10.060 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.342 10.086 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.269 8.843 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.496 9.223 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.209 8.931 -2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.948 8.545 -1.149 1.00 0.00 H new ATOM 660 N LEU A 40 3.173 8.740 0.912 1.00 0.00 N ATOM 661 CA LEU A 40 2.707 7.367 1.056 1.00 0.00 C ATOM 662 C LEU A 40 3.553 6.431 0.186 1.00 0.00 C ATOM 663 O LEU A 40 3.279 6.246 -1.004 1.00 0.00 O ATOM 664 CB LEU A 40 1.221 7.260 0.682 1.00 0.00 C ATOM 665 CG LEU A 40 0.577 5.883 0.926 1.00 0.00 C ATOM 666 CD1 LEU A 40 0.619 5.520 2.408 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.859 5.856 0.404 1.00 0.00 C ATOM 0 H LEU A 40 2.520 9.365 0.440 1.00 0.00 H new ATOM 0 HA LEU A 40 2.816 7.067 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.666 8.007 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.110 7.513 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 40 1.153 5.138 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.159 4.543 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.655 5.488 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.074 6.269 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.294 4.874 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.448 6.615 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.861 6.060 -0.667 1.00 0.00 H new ATOM 679 N ASP A 41 4.598 5.865 0.788 1.00 0.00 N ATOM 680 CA ASP A 41 5.496 4.945 0.093 1.00 0.00 C ATOM 681 C ASP A 41 4.790 3.620 -0.183 1.00 0.00 C ATOM 682 O ASP A 41 4.952 2.650 0.561 1.00 0.00 O ATOM 683 CB ASP A 41 6.780 4.696 0.915 1.00 0.00 C ATOM 684 CG ASP A 41 7.909 5.677 0.608 1.00 0.00 C ATOM 685 OD1 ASP A 41 7.808 6.859 0.993 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.916 5.254 -0.009 1.00 0.00 O ATOM 0 H ASP A 41 4.845 6.030 1.764 1.00 0.00 H new ATOM 0 HA ASP A 41 5.778 5.403 -0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.538 4.756 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.131 3.682 0.725 1.00 0.00 H new ATOM 691 N LEU A 42 3.988 3.603 -1.249 1.00 0.00 N ATOM 692 CA LEU A 42 3.273 2.399 -1.680 1.00 0.00 C ATOM 693 C LEU A 42 4.267 1.243 -1.836 1.00 0.00 C ATOM 694 O LEU A 42 3.955 0.096 -1.526 1.00 0.00 O ATOM 695 CB LEU A 42 2.528 2.682 -3.004 1.00 0.00 C ATOM 696 CG LEU A 42 1.308 1.785 -3.322 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.537 2.335 -4.522 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.724 0.337 -3.586 1.00 0.00 C ATOM 0 H LEU A 42 3.816 4.419 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 42 2.534 2.116 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.193 3.719 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.242 2.588 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 42 0.660 1.793 -2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.318 1.692 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.186 3.343 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.192 2.363 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.840 -0.261 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.405 0.303 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.224 -0.064 -2.705 1.00 0.00 H new ATOM 710 N TYR A 43 5.468 1.579 -2.305 1.00 0.00 N ATOM 711 CA TYR A 43 6.567 0.622 -2.440 1.00 0.00 C ATOM 712 C TYR A 43 6.766 -0.165 -1.137 1.00 0.00 C ATOM 713 O TYR A 43 6.585 -1.393 -1.085 1.00 0.00 O ATOM 714 CB TYR A 43 7.861 1.390 -2.778 1.00 0.00 C ATOM 715 CG TYR A 43 8.732 0.744 -3.840 1.00 0.00 C ATOM 716 CD1 TYR A 43 9.014 -0.619 -3.831 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.281 1.516 -4.852 1.00 0.00 C ATOM 718 CE1 TYR A 43 9.815 -1.187 -4.805 1.00 0.00 C ATOM 719 CE2 TYR A 43 10.078 0.960 -5.827 1.00 0.00 C ATOM 720 CZ TYR A 43 10.344 -0.393 -5.804 1.00 0.00 C ATOM 721 OH TYR A 43 11.138 -0.952 -6.781 1.00 0.00 O ATOM 0 H TYR A 43 5.708 2.525 -2.603 1.00 0.00 H new ATOM 0 HA TYR A 43 6.327 -0.083 -3.236 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.594 2.393 -3.110 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.448 1.501 -1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.601 -1.242 -3.052 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.079 2.577 -4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.026 -2.246 -4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.493 1.581 -6.607 1.00 0.00 H new ATOM 0 HH TYR A 43 11.427 -0.255 -7.407 1.00 0.00 H new ATOM 731 N SER A 44 7.119 0.567 -0.083 1.00 0.00 N ATOM 732 CA SER A 44 7.433 -0.028 1.206 1.00 0.00 C ATOM 733 C SER A 44 6.188 -0.690 1.796 1.00 0.00 C ATOM 734 O SER A 44 6.269 -1.747 2.417 1.00 0.00 O ATOM 735 CB SER A 44 7.987 1.042 2.159 1.00 0.00 C ATOM 736 OG SER A 44 8.636 0.460 3.277 1.00 0.00 O ATOM 0 H SER A 44 7.194 1.584 -0.102 1.00 0.00 H new ATOM 0 HA SER A 44 8.196 -0.794 1.069 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.689 1.680 1.622 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.173 1.681 2.502 1.00 0.00 H new ATOM 0 HG SER A 44 9.274 -0.217 2.969 1.00 0.00 H new ATOM 742 N LEU A 45 5.036 -0.072 1.569 1.00 0.00 N ATOM 743 CA LEU A 45 3.763 -0.614 2.028 1.00 0.00 C ATOM 744 C LEU A 45 3.513 -1.984 1.399 1.00 0.00 C ATOM 745 O LEU A 45 3.118 -2.930 2.082 1.00 0.00 O ATOM 746 CB LEU A 45 2.620 0.352 1.673 1.00 0.00 C ATOM 747 CG LEU A 45 1.204 -0.120 2.050 1.00 0.00 C ATOM 748 CD1 LEU A 45 1.090 -0.360 3.554 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.161 0.892 1.580 1.00 0.00 C ATOM 0 H LEU A 45 4.957 0.812 1.066 1.00 0.00 H new ATOM 0 HA LEU A 45 3.801 -0.731 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.808 1.305 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.647 0.538 0.599 1.00 0.00 H new ATOM 0 HG LEU A 45 1.015 -1.068 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.080 -0.693 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.805 -1.125 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.303 0.566 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.834 0.543 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.351 1.856 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.221 1.001 0.497 1.00 0.00 H new ATOM 761 N SER A 46 3.776 -2.083 0.099 1.00 0.00 N ATOM 762 CA SER A 46 3.557 -3.316 -0.643 1.00 0.00 C ATOM 763 C SER A 46 4.462 -4.421 -0.107 1.00 0.00 C ATOM 764 O SER A 46 3.991 -5.515 0.220 1.00 0.00 O ATOM 765 CB SER A 46 3.805 -3.093 -2.144 1.00 0.00 C ATOM 766 OG SER A 46 3.521 -4.263 -2.900 1.00 0.00 O ATOM 0 H SER A 46 4.144 -1.316 -0.464 1.00 0.00 H new ATOM 0 HA SER A 46 2.519 -3.623 -0.511 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.184 -2.270 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.843 -2.800 -2.302 1.00 0.00 H new ATOM 0 HG SER A 46 3.687 -4.087 -3.850 1.00 0.00 H new ATOM 772 N LYS A 47 5.761 -4.128 0.013 1.00 0.00 N ATOM 773 CA LYS A 47 6.708 -5.136 0.490 1.00 0.00 C ATOM 774 C LYS A 47 6.356 -5.562 1.915 1.00 0.00 C ATOM 775 O LYS A 47 6.441 -6.742 2.246 1.00 0.00 O ATOM 776 CB LYS A 47 8.165 -4.645 0.408 1.00 0.00 C ATOM 777 CG LYS A 47 8.483 -3.436 1.282 1.00 0.00 C ATOM 778 CD LYS A 47 9.946 -2.997 1.170 1.00 0.00 C ATOM 779 CE LYS A 47 10.898 -3.874 1.989 1.00 0.00 C ATOM 780 NZ LYS A 47 10.878 -5.304 1.575 1.00 0.00 N ATOM 0 H LYS A 47 6.172 -3.221 -0.209 1.00 0.00 H new ATOM 0 HA LYS A 47 6.626 -6.002 -0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.826 -5.464 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.392 -4.396 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.836 -2.606 0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.258 -3.674 2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.248 -3.022 0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.036 -1.963 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.913 -3.488 1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.631 -3.804 3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.775 -5.756 1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.090 -5.791 2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.754 -5.365 0.544 1.00 0.00 H new ATOM 794 N ILE A 48 5.929 -4.606 2.745 1.00 0.00 N ATOM 795 CA ILE A 48 5.506 -4.911 4.114 1.00 0.00 C ATOM 796 C ILE A 48 4.356 -5.914 4.101 1.00 0.00 C ATOM 797 O ILE A 48 4.414 -6.945 4.772 1.00 0.00 O ATOM 798 CB ILE A 48 5.070 -3.636 4.892 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.288 -2.753 5.216 1.00 0.00 C ATOM 800 CG2 ILE A 48 4.321 -4.005 6.175 1.00 0.00 C ATOM 801 CD1 ILE A 48 5.937 -1.455 5.918 1.00 0.00 C ATOM 0 H ILE A 48 5.867 -3.619 2.494 1.00 0.00 H new ATOM 0 HA ILE A 48 6.368 -5.339 4.626 1.00 0.00 H new ATOM 0 HB ILE A 48 4.392 -3.070 4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.978 -3.318 5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.814 -2.523 4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.028 -3.096 6.699 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.431 -4.582 5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.970 -4.601 6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.848 -0.889 6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.272 -0.867 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.438 -1.675 6.862 1.00 0.00 H new ATOM 813 N VAL A 49 3.323 -5.612 3.320 1.00 0.00 N ATOM 814 CA VAL A 49 2.154 -6.480 3.210 1.00 0.00 C ATOM 815 C VAL A 49 2.568 -7.897 2.798 1.00 0.00 C ATOM 816 O VAL A 49 2.123 -8.884 3.392 1.00 0.00 O ATOM 817 CB VAL A 49 1.135 -5.915 2.184 1.00 0.00 C ATOM 818 CG1 VAL A 49 0.009 -6.913 1.911 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.567 -4.581 2.671 1.00 0.00 C ATOM 0 H VAL A 49 3.272 -4.767 2.750 1.00 0.00 H new ATOM 0 HA VAL A 49 1.679 -6.519 4.190 1.00 0.00 H new ATOM 0 HB VAL A 49 1.664 -5.746 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.687 -6.487 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.429 -7.835 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.519 -7.129 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.145 -4.200 1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.063 -4.727 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.378 -3.864 2.795 1.00 0.00 H new ATOM 829 N VAL A 50 3.435 -7.983 1.791 1.00 0.00 N ATOM 830 CA VAL A 50 3.904 -9.270 1.281 1.00 0.00 C ATOM 831 C VAL A 50 4.715 -10.024 2.340 1.00 0.00 C ATOM 832 O VAL A 50 4.505 -11.218 2.561 1.00 0.00 O ATOM 833 CB VAL A 50 4.764 -9.092 0.002 1.00 0.00 C ATOM 834 CG1 VAL A 50 5.301 -10.436 -0.491 1.00 0.00 C ATOM 835 CG2 VAL A 50 3.961 -8.394 -1.096 1.00 0.00 C ATOM 0 H VAL A 50 3.828 -7.174 1.311 1.00 0.00 H new ATOM 0 HA VAL A 50 3.018 -9.854 1.031 1.00 0.00 H new ATOM 0 HB VAL A 50 5.617 -8.463 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.900 -10.281 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.919 -10.887 0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.467 -11.099 -0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.582 -8.279 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.084 -8.993 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.643 -7.412 -0.746 1.00 0.00 H new ATOM 845 N GLU A 51 5.622 -9.314 3.008 1.00 0.00 N ATOM 846 CA GLU A 51 6.498 -9.924 4.008 1.00 0.00 C ATOM 847 C GLU A 51 5.710 -10.291 5.267 1.00 0.00 C ATOM 848 O GLU A 51 6.127 -11.151 6.050 1.00 0.00 O ATOM 849 CB GLU A 51 7.663 -8.978 4.336 1.00 0.00 C ATOM 850 CG GLU A 51 8.542 -8.684 3.123 1.00 0.00 C ATOM 851 CD GLU A 51 9.645 -7.671 3.396 1.00 0.00 C ATOM 852 OE1 GLU A 51 9.343 -6.462 3.487 1.00 0.00 O ATOM 853 OE2 GLU A 51 10.823 -8.077 3.483 1.00 0.00 O ATOM 0 H GLU A 51 5.770 -8.314 2.875 1.00 0.00 H new ATOM 0 HA GLU A 51 6.911 -10.846 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.266 -8.041 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.274 -9.419 5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.993 -9.615 2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.914 -8.315 2.312 1.00 0.00 H new ATOM 860 N GLU A 52 4.570 -9.632 5.453 1.00 0.00 N ATOM 861 CA GLU A 52 3.643 -9.966 6.531 1.00 0.00 C ATOM 862 C GLU A 52 2.753 -11.137 6.120 1.00 0.00 C ATOM 863 O GLU A 52 2.248 -11.877 6.970 1.00 0.00 O ATOM 864 CB GLU A 52 2.793 -8.742 6.894 1.00 0.00 C ATOM 865 CG GLU A 52 3.540 -7.699 7.719 1.00 0.00 C ATOM 866 CD GLU A 52 3.958 -8.219 9.087 1.00 0.00 C ATOM 867 OE1 GLU A 52 3.138 -8.167 10.024 1.00 0.00 O ATOM 868 OE2 GLU A 52 5.110 -8.681 9.230 1.00 0.00 O ATOM 0 H GLU A 52 4.264 -8.857 4.865 1.00 0.00 H new ATOM 0 HA GLU A 52 4.216 -10.262 7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.432 -8.276 5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.916 -9.072 7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.426 -7.376 7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.906 -6.821 7.847 1.00 0.00 H new ATOM 875 N GLY A 53 2.565 -11.296 4.812 1.00 0.00 N ATOM 876 CA GLY A 53 1.843 -12.441 4.281 1.00 0.00 C ATOM 877 C GLY A 53 0.463 -12.093 3.753 1.00 0.00 C ATOM 878 O GLY A 53 -0.172 -12.917 3.091 1.00 0.00 O ATOM 0 H GLY A 53 2.904 -10.645 4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.428 -12.890 3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.745 -13.194 5.063 1.00 0.00 H new ATOM 882 N GLY A 54 -0.011 -10.881 4.034 1.00 0.00 N ATOM 883 CA GLY A 54 -1.325 -10.478 3.560 1.00 0.00 C ATOM 884 C GLY A 54 -1.817 -9.190 4.194 1.00 0.00 C ATOM 885 O GLY A 54 -1.613 -8.963 5.390 1.00 0.00 O ATOM 0 H GLY A 54 0.487 -10.176 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.292 -10.354 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.040 -11.274 3.768 1.00 0.00 H new ATOM 889 N TYR A 55 -2.467 -8.351 3.390 1.00 0.00 N ATOM 890 CA TYR A 55 -3.076 -7.112 3.872 1.00 0.00 C ATOM 891 C TYR A 55 -4.096 -7.407 4.968 1.00 0.00 C ATOM 892 O TYR A 55 -4.046 -6.811 6.047 1.00 0.00 O ATOM 893 CB TYR A 55 -3.728 -6.362 2.695 1.00 0.00 C ATOM 894 CG TYR A 55 -4.940 -5.522 3.056 1.00 0.00 C ATOM 895 CD1 TYR A 55 -4.808 -4.315 3.726 1.00 0.00 C ATOM 896 CD2 TYR A 55 -6.220 -5.946 2.722 1.00 0.00 C ATOM 897 CE1 TYR A 55 -5.912 -3.556 4.055 1.00 0.00 C ATOM 898 CE2 TYR A 55 -7.328 -5.194 3.047 1.00 0.00 C ATOM 899 CZ TYR A 55 -7.172 -4.000 3.713 1.00 0.00 C ATOM 900 OH TYR A 55 -8.277 -3.256 4.040 1.00 0.00 O ATOM 0 H TYR A 55 -2.586 -8.510 2.389 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.302 -6.477 4.303 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.980 -5.714 2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.023 -7.090 1.939 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.823 -3.963 3.995 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.349 -6.882 2.198 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.790 -2.619 4.578 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.315 -5.541 2.780 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.059 -3.843 4.106 1.00 0.00 H new ATOM 910 N GLU A 56 -5.009 -8.336 4.691 1.00 0.00 N ATOM 911 CA GLU A 56 -6.027 -8.733 5.662 1.00 0.00 C ATOM 912 C GLU A 56 -5.399 -9.152 6.984 1.00 0.00 C ATOM 913 O GLU A 56 -5.938 -8.866 8.050 1.00 0.00 O ATOM 914 CB GLU A 56 -6.880 -9.885 5.132 1.00 0.00 C ATOM 915 CG GLU A 56 -7.880 -9.488 4.059 1.00 0.00 C ATOM 916 CD GLU A 56 -8.890 -10.592 3.813 1.00 0.00 C ATOM 917 OE1 GLU A 56 -9.796 -10.765 4.660 1.00 0.00 O ATOM 918 OE2 GLU A 56 -8.744 -11.332 2.817 1.00 0.00 O ATOM 0 H GLU A 56 -5.065 -8.829 3.800 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.661 -7.861 5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.220 -10.653 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.420 -10.334 5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.399 -8.578 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.352 -9.262 3.133 1.00 0.00 H new ATOM 925 N ALA A 57 -4.263 -9.840 6.910 1.00 0.00 N ATOM 926 CA ALA A 57 -3.569 -10.293 8.109 1.00 0.00 C ATOM 927 C ALA A 57 -3.198 -9.097 8.977 1.00 0.00 C ATOM 928 O ALA A 57 -3.572 -9.027 10.148 1.00 0.00 O ATOM 929 CB ALA A 57 -2.330 -11.101 7.739 1.00 0.00 C ATOM 0 H ALA A 57 -3.806 -10.095 6.035 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.235 -10.942 8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.826 -11.430 8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.625 -11.971 7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.653 -10.480 7.153 1.00 0.00 H new ATOM 935 N ILE A 58 -2.500 -8.139 8.376 1.00 0.00 N ATOM 936 CA ILE A 58 -2.080 -6.933 9.083 1.00 0.00 C ATOM 937 C ILE A 58 -3.298 -6.137 9.547 1.00 0.00 C ATOM 938 O ILE A 58 -3.281 -5.512 10.605 1.00 0.00 O ATOM 939 CB ILE A 58 -1.210 -6.019 8.191 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.120 -6.827 7.477 1.00 0.00 C ATOM 941 CG2 ILE A 58 -0.586 -4.901 9.023 1.00 0.00 C ATOM 942 CD1 ILE A 58 0.694 -6.009 6.495 1.00 0.00 C ATOM 0 H ILE A 58 -2.212 -8.174 7.398 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.489 -7.257 9.940 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.853 -5.573 7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.549 -7.257 8.222 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.584 -7.659 6.948 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.024 -4.266 8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.375 -4.304 9.480 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.039 -5.334 9.804 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.446 -6.645 6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.036 -5.601 5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.187 -5.192 7.022 1.00 0.00 H new ATOM 954 N CYS A 59 -4.353 -6.176 8.738 1.00 0.00 N ATOM 955 CA CYS A 59 -5.580 -5.436 9.017 1.00 0.00 C ATOM 956 C CYS A 59 -6.327 -6.057 10.197 1.00 0.00 C ATOM 957 O CYS A 59 -6.885 -5.347 11.035 1.00 0.00 O ATOM 958 CB CYS A 59 -6.469 -5.405 7.764 1.00 0.00 C ATOM 959 SG CYS A 59 -7.906 -4.314 7.893 1.00 0.00 S ATOM 0 H CYS A 59 -4.382 -6.719 7.875 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.320 -4.412 9.286 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.865 -5.091 6.913 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.814 -6.417 7.554 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.229 -4.168 9.144 1.00 0.00 H new ATOM 965 N LYS A 60 -6.303 -7.385 10.273 1.00 0.00 N ATOM 966 CA LYS A 60 -7.002 -8.116 11.329 1.00 0.00 C ATOM 967 C LYS A 60 -6.211 -8.039 12.636 1.00 0.00 C ATOM 968 O LYS A 60 -6.789 -7.967 13.721 1.00 0.00 O ATOM 969 CB LYS A 60 -7.229 -9.584 10.901 1.00 0.00 C ATOM 970 CG LYS A 60 -8.700 -10.011 10.872 1.00 0.00 C ATOM 971 CD LYS A 60 -9.546 -9.132 9.942 1.00 0.00 C ATOM 972 CE LYS A 60 -9.103 -9.221 8.481 1.00 0.00 C ATOM 973 NZ LYS A 60 -9.302 -10.578 7.906 1.00 0.00 N ATOM 0 H LYS A 60 -5.804 -7.981 9.612 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.977 -7.657 11.495 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.800 -9.732 9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.686 -10.238 11.584 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.768 -11.049 10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.109 -9.966 11.881 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.592 -9.430 10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.485 -8.095 10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.662 -8.495 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.050 -8.950 8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.435 -10.503 6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.467 -11.165 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.143 -11.016 8.333 1.00 0.00 H new ATOM 987 N ASP A 61 -4.882 -8.051 12.523 1.00 0.00 N ATOM 988 CA ASP A 61 -4.001 -7.888 13.683 1.00 0.00 C ATOM 989 C ASP A 61 -3.774 -6.410 13.978 1.00 0.00 C ATOM 990 O ASP A 61 -3.138 -6.055 14.975 1.00 0.00 O ATOM 991 CB ASP A 61 -2.652 -8.588 13.454 1.00 0.00 C ATOM 992 CG ASP A 61 -2.765 -10.102 13.520 1.00 0.00 C ATOM 993 OD1 ASP A 61 -2.902 -10.641 14.639 1.00 0.00 O ATOM 994 OD2 ASP A 61 -2.732 -10.761 12.459 1.00 0.00 O ATOM 0 H ASP A 61 -4.390 -8.172 11.638 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.490 -8.351 14.540 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.256 -8.298 12.481 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.937 -8.247 14.203 1.00 0.00 H new ATOM 999 N ARG A 62 -4.257 -5.562 13.068 1.00 0.00 N ATOM 1000 CA ARG A 62 -4.201 -4.109 13.229 1.00 0.00 C ATOM 1001 C ARG A 62 -2.744 -3.649 13.350 1.00 0.00 C ATOM 1002 O ARG A 62 -2.446 -2.618 13.956 1.00 0.00 O ATOM 1003 CB ARG A 62 -5.042 -3.670 14.448 1.00 0.00 C ATOM 1004 CG ARG A 62 -5.968 -2.487 14.163 1.00 0.00 C ATOM 1005 CD ARG A 62 -5.191 -1.244 13.753 1.00 0.00 C ATOM 1006 NE ARG A 62 -6.069 -0.153 13.330 1.00 0.00 N ATOM 1007 CZ ARG A 62 -5.744 1.136 13.411 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -4.616 1.508 14.012 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -6.565 2.054 12.923 1.00 0.00 N ATOM 0 H ARG A 62 -4.698 -5.864 12.199 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.629 -3.633 12.347 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.641 -4.515 14.788 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.371 -3.406 15.265 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.667 -2.756 13.371 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.561 -2.268 15.051 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.578 -0.910 14.590 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.511 -1.496 12.939 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.985 -0.394 12.950 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.996 0.804 14.413 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.372 2.497 14.071 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.443 1.773 12.487 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.319 3.042 12.983 1.00 0.00 H new ATOM 1023 N ARG A 63 -1.844 -4.397 12.714 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.407 -4.197 12.886 1.00 0.00 C ATOM 1025 C ARG A 63 0.074 -2.927 12.170 1.00 0.00 C ATOM 1026 O ARG A 63 1.243 -2.554 12.285 1.00 0.00 O ATOM 1027 CB ARG A 63 0.370 -5.423 12.362 1.00 0.00 C ATOM 1028 CG ARG A 63 1.671 -5.703 13.117 1.00 0.00 C ATOM 1029 CD ARG A 63 1.495 -6.782 14.188 1.00 0.00 C ATOM 1030 NE ARG A 63 0.281 -6.591 14.994 1.00 0.00 N ATOM 1031 CZ ARG A 63 0.119 -7.063 16.232 1.00 0.00 C ATOM 1032 NH1 ARG A 63 1.115 -7.696 16.844 1.00 0.00 N ATOM 1033 NH2 ARG A 63 -1.042 -6.900 16.854 1.00 0.00 N ATOM 0 H ARG A 63 -2.087 -5.151 12.072 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.215 -4.077 13.952 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.272 -6.302 12.426 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.599 -5.272 11.307 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.439 -6.016 12.410 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.024 -4.783 13.584 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.457 -7.760 13.709 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.365 -6.782 14.844 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.488 -6.063 14.580 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.008 -7.823 16.368 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.986 -8.055 17.790 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.808 -6.415 16.386 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.169 -7.260 17.800 1.00 0.00 H new ATOM 1047 N TRP A 64 -0.829 -2.262 11.441 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.473 -1.064 10.673 1.00 0.00 C ATOM 1049 C TRP A 64 0.164 0.001 11.564 1.00 0.00 C ATOM 1050 O TRP A 64 0.969 0.805 11.102 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.693 -0.460 9.972 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.404 -1.397 9.041 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -3.686 -1.843 9.173 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -1.889 -2.001 7.838 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.010 -2.666 8.130 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -2.929 -2.783 7.302 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -0.660 -1.962 7.155 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -2.786 -3.510 6.129 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.525 -2.689 5.988 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -1.584 -3.453 5.485 1.00 0.00 C ATOM 0 H TRP A 64 -1.810 -2.532 11.367 1.00 0.00 H new ATOM 0 HA TRP A 64 0.249 -1.383 9.921 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.398 -0.116 10.729 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.375 0.418 9.410 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.350 -1.584 9.984 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.913 -3.120 7.992 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.163 -1.375 7.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.600 -4.102 5.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.414 -2.667 5.455 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.447 -4.009 4.569 1.00 0.00 H new ATOM 1071 N ALA A 65 -0.208 0.008 12.838 1.00 0.00 N ATOM 1072 CA ALA A 65 0.370 0.945 13.796 1.00 0.00 C ATOM 1073 C ALA A 65 1.888 0.782 13.835 1.00 0.00 C ATOM 1074 O ALA A 65 2.644 1.756 13.774 1.00 0.00 O ATOM 1075 CB ALA A 65 -0.231 0.718 15.177 1.00 0.00 C ATOM 0 H ALA A 65 -0.906 -0.623 13.232 1.00 0.00 H new ATOM 0 HA ALA A 65 0.139 1.963 13.483 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.207 1.422 15.885 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.309 0.870 15.134 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.021 -0.301 15.502 1.00 0.00 H new ATOM 1081 N ARG A 66 2.318 -0.473 13.894 1.00 0.00 N ATOM 1082 CA ARG A 66 3.733 -0.810 13.959 1.00 0.00 C ATOM 1083 C ARG A 66 4.423 -0.488 12.636 1.00 0.00 C ATOM 1084 O ARG A 66 5.509 0.096 12.617 1.00 0.00 O ATOM 1085 CB ARG A 66 3.898 -2.297 14.298 1.00 0.00 C ATOM 1086 CG ARG A 66 5.348 -2.734 14.465 1.00 0.00 C ATOM 1087 CD ARG A 66 5.452 -4.207 14.838 1.00 0.00 C ATOM 1088 NE ARG A 66 6.816 -4.583 15.200 1.00 0.00 N ATOM 1089 CZ ARG A 66 7.328 -5.801 15.031 1.00 0.00 C ATOM 1090 NH1 ARG A 66 6.641 -6.734 14.382 1.00 0.00 N ATOM 1091 NH2 ARG A 66 8.542 -6.077 15.483 1.00 0.00 N ATOM 0 H ARG A 66 1.697 -1.282 13.898 1.00 0.00 H new ATOM 0 HA ARG A 66 4.200 -0.213 14.742 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.355 -2.512 15.219 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.438 -2.893 13.510 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.892 -2.554 13.538 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.824 -2.129 15.236 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.784 -4.418 15.673 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.117 -4.818 14.000 1.00 0.00 H new ATOM 0 HE ARG A 66 7.416 -3.866 15.609 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.716 -6.520 14.010 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.039 -7.665 14.256 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.084 -5.357 15.960 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.934 -7.010 15.354 1.00 0.00 H new ATOM 1105 N VAL A 67 3.778 -0.860 11.529 1.00 0.00 N ATOM 1106 CA VAL A 67 4.343 -0.624 10.199 1.00 0.00 C ATOM 1107 C VAL A 67 4.515 0.881 9.975 1.00 0.00 C ATOM 1108 O VAL A 67 5.480 1.322 9.350 1.00 0.00 O ATOM 1109 CB VAL A 67 3.465 -1.242 9.066 1.00 0.00 C ATOM 1110 CG1 VAL A 67 2.947 -2.621 9.472 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.326 -0.313 8.665 1.00 0.00 C ATOM 0 H VAL A 67 2.869 -1.323 11.526 1.00 0.00 H new ATOM 0 HA VAL A 67 5.314 -1.118 10.157 1.00 0.00 H new ATOM 0 HB VAL A 67 4.097 -1.367 8.187 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.338 -3.032 8.667 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.790 -3.284 9.664 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.343 -2.531 10.375 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.738 -0.779 7.874 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.688 -0.125 9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.736 0.631 8.305 1.00 0.00 H new ATOM 1121 N ALA A 68 3.582 1.657 10.530 1.00 0.00 N ATOM 1122 CA ALA A 68 3.630 3.111 10.450 1.00 0.00 C ATOM 1123 C ALA A 68 4.829 3.642 11.229 1.00 0.00 C ATOM 1124 O ALA A 68 5.633 4.416 10.705 1.00 0.00 O ATOM 1125 CB ALA A 68 2.331 3.717 10.979 1.00 0.00 C ATOM 0 H ALA A 68 2.779 1.295 11.043 1.00 0.00 H new ATOM 0 HA ALA A 68 3.741 3.401 9.405 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.383 4.804 10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.492 3.357 10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.190 3.424 12.019 1.00 0.00 H new ATOM 1131 N GLN A 69 4.953 3.197 12.476 1.00 0.00 N ATOM 1132 CA GLN A 69 6.074 3.593 13.329 1.00 0.00 C ATOM 1133 C GLN A 69 7.400 3.064 12.767 1.00 0.00 C ATOM 1134 O GLN A 69 8.474 3.549 13.121 1.00 0.00 O ATOM 1135 CB GLN A 69 5.843 3.100 14.765 1.00 0.00 C ATOM 1136 CG GLN A 69 4.641 3.763 15.439 1.00 0.00 C ATOM 1137 CD GLN A 69 4.335 3.222 16.828 1.00 0.00 C ATOM 1138 OE1 GLN A 69 5.358 2.786 17.550 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 3.182 3.213 17.255 1.00 0.00 N flip ATOM 0 H GLN A 69 4.291 2.561 12.921 1.00 0.00 H new ATOM 0 HA GLN A 69 6.135 4.681 13.346 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.696 2.020 14.753 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.737 3.293 15.358 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.823 4.835 15.510 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.763 3.629 14.807 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.419 3.556 16.671 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.988 2.862 18.193 1.00 0.00 H new ATOM 1148 N ARG A 70 7.311 2.070 11.882 1.00 0.00 N ATOM 1149 CA ARG A 70 8.483 1.555 11.174 1.00 0.00 C ATOM 1150 C ARG A 70 8.742 2.400 9.927 1.00 0.00 C ATOM 1151 O ARG A 70 9.882 2.550 9.482 1.00 0.00 O ATOM 1152 CB ARG A 70 8.270 0.067 10.808 1.00 0.00 C ATOM 1153 CG ARG A 70 9.364 -0.537 9.917 1.00 0.00 C ATOM 1154 CD ARG A 70 9.060 -0.372 8.427 1.00 0.00 C ATOM 1155 NE ARG A 70 10.232 -0.645 7.590 1.00 0.00 N ATOM 1156 CZ ARG A 70 10.202 -0.727 6.258 1.00 0.00 C ATOM 1157 NH1 ARG A 70 9.051 -0.603 5.606 1.00 0.00 N ATOM 1158 NH2 ARG A 70 11.325 -0.933 5.581 1.00 0.00 N ATOM 0 H ARG A 70 6.437 1.605 11.638 1.00 0.00 H new ATOM 0 HA ARG A 70 9.358 1.620 11.821 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.208 -0.514 11.728 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.310 -0.035 10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.318 -0.062 10.145 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.473 -1.597 10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.250 -1.045 8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.710 0.643 8.239 1.00 0.00 H new ATOM 0 HE ARG A 70 11.129 -0.781 8.056 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.186 -0.445 6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.032 -0.666 4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.210 -1.029 6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.303 -0.996 4.563 1.00 0.00 H new ATOM 1172 N LEU A 71 7.668 2.964 9.384 1.00 0.00 N ATOM 1173 CA LEU A 71 7.720 3.768 8.161 1.00 0.00 C ATOM 1174 C LEU A 71 8.177 5.203 8.460 1.00 0.00 C ATOM 1175 O LEU A 71 8.008 6.091 7.631 1.00 0.00 O ATOM 1176 CB LEU A 71 6.341 3.765 7.478 1.00 0.00 C ATOM 1177 CG LEU A 71 6.360 3.955 5.951 1.00 0.00 C ATOM 1178 CD1 LEU A 71 7.226 2.883 5.294 1.00 0.00 C ATOM 1179 CD2 LEU A 71 4.942 3.919 5.387 1.00 0.00 C ATOM 0 H LEU A 71 6.732 2.878 9.779 1.00 0.00 H new ATOM 0 HA LEU A 71 8.451 3.325 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.845 2.821 7.703 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.735 4.557 7.918 1.00 0.00 H new ATOM 0 HG LEU A 71 6.790 4.932 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.230 3.030 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.245 2.955 5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.822 1.897 5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.977 4.055 4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.483 2.957 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.352 4.719 5.835 1.00 0.00 H new ATOM 1191 N ASN A 72 8.704 5.400 9.674 1.00 0.00 N ATOM 1192 CA ASN A 72 9.278 6.671 10.163 1.00 0.00 C ATOM 1193 C ASN A 72 8.204 7.620 10.682 1.00 0.00 C ATOM 1194 O ASN A 72 8.485 8.782 10.985 1.00 0.00 O ATOM 1195 CB ASN A 72 10.246 7.366 9.141 1.00 0.00 C ATOM 1196 CG ASN A 72 9.613 8.178 7.991 1.00 0.00 C ATOM 1197 OD1 ASN A 72 10.087 8.107 6.854 1.00 0.00 O ATOM 1198 ND2 ASN A 72 8.614 9.013 8.262 1.00 0.00 N ATOM 0 H ASN A 72 8.747 4.657 10.371 1.00 0.00 H new ATOM 0 HA ASN A 72 9.907 6.400 11.011 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.902 8.033 9.701 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.877 6.595 8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.230 9.605 7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.232 9.061 9.206 1.00 0.00 H new ATOM 1205 N TYR A 73 6.977 7.125 10.813 1.00 0.00 N ATOM 1206 CA TYR A 73 5.902 7.914 11.408 1.00 0.00 C ATOM 1207 C TYR A 73 6.048 7.921 12.931 1.00 0.00 C ATOM 1208 O TYR A 73 6.452 6.917 13.522 1.00 0.00 O ATOM 1209 CB TYR A 73 4.524 7.364 11.014 1.00 0.00 C ATOM 1210 CG TYR A 73 4.244 7.404 9.522 1.00 0.00 C ATOM 1211 CD1 TYR A 73 4.448 8.567 8.787 1.00 0.00 C ATOM 1212 CD2 TYR A 73 3.762 6.285 8.852 1.00 0.00 C ATOM 1213 CE1 TYR A 73 4.180 8.608 7.434 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.496 6.320 7.499 1.00 0.00 C ATOM 1215 CZ TYR A 73 3.705 7.481 6.793 1.00 0.00 C ATOM 1216 OH TYR A 73 3.432 7.519 5.443 1.00 0.00 O ATOM 0 H TYR A 73 6.703 6.188 10.518 1.00 0.00 H new ATOM 0 HA TYR A 73 5.977 8.934 11.030 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.443 6.334 11.360 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.755 7.936 11.533 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.822 9.451 9.282 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.593 5.371 9.402 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.341 9.520 6.878 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.125 5.439 6.996 1.00 0.00 H new ATOM 0 HH TYR A 73 3.107 6.642 5.150 1.00 0.00 H new ATOM 1226 N PRO A 74 5.746 9.058 13.583 1.00 0.00 N ATOM 1227 CA PRO A 74 5.834 9.175 15.044 1.00 0.00 C ATOM 1228 C PRO A 74 4.806 8.287 15.755 1.00 0.00 C ATOM 1229 O PRO A 74 3.745 7.988 15.196 1.00 0.00 O ATOM 1230 CB PRO A 74 5.549 10.665 15.303 1.00 0.00 C ATOM 1231 CG PRO A 74 4.765 11.108 14.115 1.00 0.00 C ATOM 1232 CD PRO A 74 5.303 10.318 12.955 1.00 0.00 C ATOM 0 HA PRO A 74 6.801 8.848 15.427 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.986 10.807 16.225 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.473 11.234 15.403 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.701 10.921 14.256 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.881 12.179 13.947 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.539 10.144 12.197 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.127 10.835 12.463 1.00 0.00 H new ATOM 1240 N PRO A 75 5.113 7.849 16.994 1.00 0.00 N ATOM 1241 CA PRO A 75 4.214 6.992 17.783 1.00 0.00 C ATOM 1242 C PRO A 75 2.824 7.609 17.977 1.00 0.00 C ATOM 1243 O PRO A 75 2.609 8.794 17.702 1.00 0.00 O ATOM 1244 CB PRO A 75 4.940 6.853 19.130 1.00 0.00 C ATOM 1245 CG PRO A 75 6.374 7.112 18.813 1.00 0.00 C ATOM 1246 CD PRO A 75 6.366 8.143 17.717 1.00 0.00 C ATOM 0 HA PRO A 75 4.026 6.040 17.286 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.560 7.567 19.861 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.801 5.859 19.554 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.910 7.476 19.690 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.875 6.200 18.489 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.373 9.157 18.117 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.237 8.050 17.069 1.00 0.00 H new ATOM 1254 N GLY A 76 1.898 6.804 18.484 1.00 0.00 N ATOM 1255 CA GLY A 76 0.517 7.232 18.642 1.00 0.00 C ATOM 1256 C GLY A 76 -0.434 6.334 17.878 1.00 0.00 C ATOM 1257 O GLY A 76 -1.642 6.356 18.112 1.00 0.00 O ATOM 0 H GLY A 76 2.081 5.849 18.793 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.253 7.228 19.699 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.411 8.258 18.291 1.00 0.00 H new ATOM 1261 N LYS A 77 0.121 5.563 16.938 1.00 0.00 N ATOM 1262 CA LYS A 77 -0.620 4.534 16.189 1.00 0.00 C ATOM 1263 C LYS A 77 -1.645 5.121 15.204 1.00 0.00 C ATOM 1264 O LYS A 77 -1.987 4.474 14.216 1.00 0.00 O ATOM 1265 CB LYS A 77 -1.335 3.553 17.143 1.00 0.00 C ATOM 1266 CG LYS A 77 -0.420 2.873 18.161 1.00 0.00 C ATOM 1267 CD LYS A 77 -1.107 1.685 18.842 1.00 0.00 C ATOM 1268 CE LYS A 77 -2.397 2.079 19.560 1.00 0.00 C ATOM 1269 NZ LYS A 77 -2.145 2.949 20.737 1.00 0.00 N ATOM 0 H LYS A 77 1.103 5.633 16.671 1.00 0.00 H new ATOM 0 HA LYS A 77 0.131 4.001 15.606 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.115 4.093 17.679 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.830 2.785 16.549 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.487 2.531 17.662 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.115 3.598 18.916 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.330 0.923 18.095 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.420 1.236 19.559 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.055 2.597 18.862 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.920 1.179 19.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.049 3.190 21.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.539 2.446 21.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.670 3.821 20.429 1.00 0.00 H new ATOM 1283 N ASN A 78 -2.105 6.347 15.457 1.00 0.00 N ATOM 1284 CA ASN A 78 -3.266 6.915 14.757 1.00 0.00 C ATOM 1285 C ASN A 78 -3.045 7.006 13.240 1.00 0.00 C ATOM 1286 O ASN A 78 -3.992 6.863 12.462 1.00 0.00 O ATOM 1287 CB ASN A 78 -3.596 8.298 15.342 1.00 0.00 C ATOM 1288 CG ASN A 78 -5.058 8.716 15.167 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -5.639 9.327 16.063 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -5.659 8.424 14.022 1.00 0.00 N ATOM 0 H ASN A 78 -1.690 6.973 16.147 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.110 6.243 14.911 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -3.353 8.299 16.405 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.957 9.043 14.869 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.627 8.707 13.867 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.154 7.916 13.296 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.800 7.222 12.816 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.489 7.320 11.384 1.00 0.00 C ATOM 1299 C ILE A 79 -1.828 5.996 10.685 1.00 0.00 C ATOM 1300 O ILE A 79 -2.064 5.955 9.476 1.00 0.00 O ATOM 1301 CB ILE A 79 0.004 7.700 11.111 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.364 9.068 11.734 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.292 7.731 9.604 1.00 0.00 C ATOM 1304 CD1 ILE A 79 0.497 9.064 13.245 1.00 0.00 C ATOM 0 H ILE A 79 -0.996 7.332 13.434 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.101 8.126 10.979 1.00 0.00 H new ATOM 0 HB ILE A 79 0.622 6.933 11.579 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.303 9.412 11.302 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.401 9.792 11.453 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.336 7.997 9.438 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.096 6.748 9.176 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.351 8.470 9.126 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.751 10.066 13.591 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.447 8.754 13.693 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.283 8.369 13.539 1.00 0.00 H new ATOM 1316 N GLY A 80 -1.881 4.920 11.472 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.243 3.613 10.950 1.00 0.00 C ATOM 1318 C GLY A 80 -3.614 3.612 10.297 1.00 0.00 C ATOM 1319 O GLY A 80 -3.814 2.969 9.264 1.00 0.00 O ATOM 0 H GLY A 80 -1.677 4.934 12.471 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.496 3.296 10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.229 2.884 11.760 1.00 0.00 H new ATOM 1323 N SER A 81 -4.560 4.335 10.898 1.00 0.00 N ATOM 1324 CA SER A 81 -5.901 4.476 10.329 1.00 0.00 C ATOM 1325 C SER A 81 -5.822 5.156 8.965 1.00 0.00 C ATOM 1326 O SER A 81 -6.485 4.746 8.013 1.00 0.00 O ATOM 1327 CB SER A 81 -6.801 5.291 11.269 1.00 0.00 C ATOM 1328 OG SER A 81 -6.900 4.682 12.547 1.00 0.00 O ATOM 0 H SER A 81 -4.423 4.832 11.778 1.00 0.00 H new ATOM 0 HA SER A 81 -6.332 3.482 10.208 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.401 6.299 11.375 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.795 5.387 10.832 1.00 0.00 H new ATOM 0 HG SER A 81 -7.478 5.224 13.124 1.00 0.00 H new ATOM 1334 N LEU A 82 -4.988 6.188 8.884 1.00 0.00 N ATOM 1335 CA LEU A 82 -4.778 6.937 7.646 1.00 0.00 C ATOM 1336 C LEU A 82 -4.234 5.999 6.562 1.00 0.00 C ATOM 1337 O LEU A 82 -4.698 6.002 5.410 1.00 0.00 O ATOM 1338 CB LEU A 82 -3.814 8.112 7.936 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.507 9.093 6.781 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -2.448 8.534 5.834 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -4.782 9.453 6.020 1.00 0.00 C ATOM 0 H LEU A 82 -4.439 6.530 9.673 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.718 7.348 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.227 8.688 8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.868 7.693 8.280 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.103 10.004 7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.259 9.251 5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.525 8.354 6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.803 7.597 5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.541 10.144 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.225 8.548 5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.491 9.924 6.701 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.264 5.179 6.954 1.00 0.00 N ATOM 1354 CA LEU A 83 -2.645 4.214 6.054 1.00 0.00 C ATOM 1355 C LEU A 83 -3.673 3.199 5.552 1.00 0.00 C ATOM 1356 O LEU A 83 -3.836 3.016 4.342 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.491 3.498 6.769 1.00 0.00 C ATOM 1358 CG LEU A 83 -0.779 2.406 5.952 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.135 2.999 4.702 1.00 0.00 C ATOM 1360 CD2 LEU A 83 0.260 1.691 6.808 1.00 0.00 C ATOM 0 H LEU A 83 -2.886 5.165 7.901 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.250 4.749 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.753 4.243 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.877 3.049 7.684 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.523 1.675 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.363 2.209 4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.903 3.459 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.596 3.754 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.754 0.922 6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.000 2.410 7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.230 1.229 7.665 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.378 2.559 6.486 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.365 1.539 6.141 1.00 0.00 C ATOM 1374 C ARG A 84 -6.471 2.160 5.289 1.00 0.00 C ATOM 1375 O ARG A 84 -6.971 1.536 4.352 1.00 0.00 O ATOM 1376 CB ARG A 84 -5.937 0.891 7.421 1.00 0.00 C ATOM 1377 CG ARG A 84 -6.706 -0.421 7.198 1.00 0.00 C ATOM 1378 CD ARG A 84 -8.133 -0.199 6.697 1.00 0.00 C ATOM 1379 NE ARG A 84 -8.823 -1.461 6.407 1.00 0.00 N ATOM 1380 CZ ARG A 84 -10.048 -1.537 5.878 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -10.735 -0.431 5.624 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -10.589 -2.717 5.606 1.00 0.00 N ATOM 0 H ARG A 84 -4.283 2.730 7.487 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.885 0.753 5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.116 0.700 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.602 1.606 7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.165 -1.035 6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.738 -0.980 8.133 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.697 0.357 7.446 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.108 0.415 5.796 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.339 -2.333 6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.329 0.481 5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.670 -0.493 5.220 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.070 -3.573 5.801 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.524 -2.768 5.202 1.00 0.00 H new ATOM 1396 N SER A 85 -6.824 3.402 5.609 1.00 0.00 N ATOM 1397 CA SER A 85 -7.843 4.133 4.867 1.00 0.00 C ATOM 1398 C SER A 85 -7.444 4.255 3.397 1.00 0.00 C ATOM 1399 O SER A 85 -8.241 3.968 2.501 1.00 0.00 O ATOM 1400 CB SER A 85 -8.050 5.525 5.483 1.00 0.00 C ATOM 1401 OG SER A 85 -9.066 6.245 4.808 1.00 0.00 O ATOM 0 H SER A 85 -6.415 3.925 6.383 1.00 0.00 H new ATOM 0 HA SER A 85 -8.782 3.582 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.313 5.423 6.536 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.116 6.085 5.441 1.00 0.00 H new ATOM 0 HG SER A 85 -9.175 7.125 5.224 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.201 4.662 3.151 1.00 0.00 N ATOM 1408 CA HIS A 86 -5.711 4.807 1.781 1.00 0.00 C ATOM 1409 C HIS A 86 -5.637 3.455 1.079 1.00 0.00 C ATOM 1410 O HIS A 86 -6.007 3.338 -0.090 1.00 0.00 O ATOM 1411 CB HIS A 86 -4.339 5.489 1.752 1.00 0.00 C ATOM 1412 CG HIS A 86 -4.359 6.927 2.177 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -5.466 7.745 2.054 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -3.389 7.695 2.720 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -5.171 8.949 2.503 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -3.918 8.946 2.913 1.00 0.00 N ATOM 0 H HIS A 86 -5.520 4.895 3.874 1.00 0.00 H new ATOM 0 HA HIS A 86 -6.421 5.438 1.247 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.658 4.939 2.402 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.935 5.426 0.741 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.383 7.382 2.958 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.842 9.795 2.530 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.422 9.744 3.309 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.170 2.435 1.795 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.066 1.093 1.226 1.00 0.00 C ATOM 1427 C TYR A 87 -6.438 0.647 0.725 1.00 0.00 C ATOM 1428 O TYR A 87 -6.586 0.216 -0.415 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.531 0.097 2.272 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.006 -1.205 1.676 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -4.859 -2.109 1.043 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -2.651 -1.520 1.732 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.374 -3.282 0.491 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.163 -2.688 1.178 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.028 -3.565 0.560 1.00 0.00 C ATOM 1436 OH TYR A 87 -2.543 -4.725 -0.001 1.00 0.00 O ATOM 0 H TYR A 87 -4.859 2.510 2.764 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.365 1.116 0.392 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.731 0.575 2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.327 -0.134 2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.915 -1.890 0.983 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.968 -0.838 2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.049 -3.973 0.008 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.108 -2.913 1.229 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.573 -4.773 0.134 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.433 0.816 1.587 1.00 0.00 N ATOM 1447 CA GLU A 88 -8.807 0.386 1.331 1.00 0.00 C ATOM 1448 C GLU A 88 -9.337 0.865 -0.027 1.00 0.00 C ATOM 1449 O GLU A 88 -10.059 0.135 -0.709 1.00 0.00 O ATOM 1450 CB GLU A 88 -9.703 0.912 2.462 1.00 0.00 C ATOM 1451 CG GLU A 88 -11.196 0.674 2.262 1.00 0.00 C ATOM 1452 CD GLU A 88 -12.027 1.244 3.399 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -11.932 2.466 3.659 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -12.756 0.477 4.065 1.00 0.00 O ATOM 0 H GLU A 88 -7.309 1.261 2.496 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.819 -0.704 1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.397 0.442 3.397 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.532 1.983 2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.511 1.127 1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.383 -0.397 2.179 1.00 0.00 H new ATOM 1461 N ARG A 89 -8.971 2.082 -0.426 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.556 2.698 -1.624 1.00 0.00 C ATOM 1463 C ARG A 89 -8.544 2.869 -2.759 1.00 0.00 C ATOM 1464 O ARG A 89 -8.922 3.233 -3.872 1.00 0.00 O ATOM 1465 CB ARG A 89 -10.190 4.048 -1.255 1.00 0.00 C ATOM 1466 CG ARG A 89 -9.325 4.898 -0.329 1.00 0.00 C ATOM 1467 CD ARG A 89 -10.039 6.169 0.128 1.00 0.00 C ATOM 1468 NE ARG A 89 -11.406 5.917 0.614 1.00 0.00 N ATOM 1469 CZ ARG A 89 -11.715 5.187 1.693 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -10.771 4.593 2.408 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -12.985 5.054 2.056 1.00 0.00 N ATOM 0 H ARG A 89 -8.280 2.659 0.054 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.324 2.020 -1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.388 4.608 -2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.152 3.869 -0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.043 4.309 0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.402 5.167 -0.843 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.458 6.640 0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.078 6.875 -0.701 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.176 6.330 0.088 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.792 4.688 2.139 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.024 4.040 3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.721 5.507 1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -13.225 4.499 2.877 1.00 0.00 H new ATOM 1485 N ILE A 90 -7.266 2.613 -2.488 1.00 0.00 N ATOM 1486 CA ILE A 90 -6.224 2.777 -3.508 1.00 0.00 C ATOM 1487 C ILE A 90 -5.433 1.485 -3.721 1.00 0.00 C ATOM 1488 O ILE A 90 -5.363 0.964 -4.834 1.00 0.00 O ATOM 1489 CB ILE A 90 -5.245 3.927 -3.141 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -5.990 5.275 -3.053 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -4.098 4.014 -4.150 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -6.624 5.719 -4.358 1.00 0.00 C ATOM 0 H ILE A 90 -6.926 2.294 -1.581 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.736 3.031 -4.436 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.821 3.704 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.766 5.200 -2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.291 6.043 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.428 4.827 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.546 3.074 -4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.502 4.203 -5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.128 6.675 -4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.851 5.829 -5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.349 4.973 -4.683 1.00 0.00 H new ATOM 1504 N VAL A 91 -4.854 0.959 -2.646 1.00 0.00 N ATOM 1505 CA VAL A 91 -3.902 -0.150 -2.751 1.00 0.00 C ATOM 1506 C VAL A 91 -4.597 -1.514 -2.638 1.00 0.00 C ATOM 1507 O VAL A 91 -3.992 -2.552 -2.909 1.00 0.00 O ATOM 1508 CB VAL A 91 -2.794 -0.030 -1.668 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.656 -1.018 -1.929 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.263 1.403 -1.592 1.00 0.00 C ATOM 0 H VAL A 91 -5.025 1.279 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.445 -0.086 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.239 -0.281 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.896 -0.910 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.047 -2.035 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.213 -0.813 -2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.488 1.464 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.844 1.687 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.078 2.080 -1.337 1.00 0.00 H new ATOM 1520 N TYR A 92 -5.871 -1.517 -2.256 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.620 -2.767 -2.105 1.00 0.00 C ATOM 1522 C TYR A 92 -6.735 -3.488 -3.461 1.00 0.00 C ATOM 1523 O TYR A 92 -6.455 -4.686 -3.548 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.007 -2.509 -1.487 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.609 -3.695 -0.739 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -7.993 -4.948 -0.728 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.796 -3.549 -0.028 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.545 -6.009 -0.034 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.348 -4.605 0.668 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.723 -5.832 0.663 1.00 0.00 C ATOM 1531 OH TYR A 92 -10.278 -6.884 1.358 1.00 0.00 O ATOM 0 H TYR A 92 -6.406 -0.675 -2.046 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.075 -3.417 -1.420 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.931 -1.666 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.693 -2.213 -2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.070 -5.091 -1.271 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.295 -2.591 -0.021 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.056 -6.972 -0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.269 -4.469 1.216 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.947 -7.330 0.797 1.00 0.00 H new ATOM 1541 N PRO A 93 -7.127 -2.774 -4.550 1.00 0.00 N ATOM 1542 CA PRO A 93 -7.125 -3.354 -5.901 1.00 0.00 C ATOM 1543 C PRO A 93 -5.738 -3.870 -6.290 1.00 0.00 C ATOM 1544 O PRO A 93 -5.607 -4.755 -7.141 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.540 -2.182 -6.806 1.00 0.00 C ATOM 1546 CG PRO A 93 -8.285 -1.256 -5.907 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.626 -1.380 -4.560 1.00 0.00 C ATOM 0 HA PRO A 93 -7.791 -4.213 -5.981 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.670 -1.693 -7.245 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.166 -2.521 -7.632 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.237 -0.231 -6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.340 -1.526 -5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.815 -0.662 -4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.332 -1.200 -3.749 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.707 -3.313 -5.652 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.329 -3.723 -5.904 1.00 0.00 C ATOM 1557 C TYR A 94 -3.033 -5.082 -5.279 1.00 0.00 C ATOM 1558 O TYR A 94 -2.249 -5.848 -5.832 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.330 -2.677 -5.394 1.00 0.00 C ATOM 1560 CG TYR A 94 -2.062 -1.551 -6.373 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -2.861 -0.413 -6.408 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -0.995 -1.627 -7.259 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -2.602 0.612 -7.292 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -0.729 -0.604 -8.142 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.533 0.514 -8.153 1.00 0.00 C ATOM 1566 OH TYR A 94 -1.266 1.540 -9.026 1.00 0.00 O ATOM 0 H TYR A 94 -4.803 -2.574 -4.955 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.213 -3.808 -6.984 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.707 -2.253 -4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.388 -3.173 -5.160 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.698 -0.331 -5.731 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.363 -2.503 -7.255 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.234 1.487 -7.309 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.106 -0.678 -8.823 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.539 1.276 -9.628 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.638 -5.384 -4.128 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.496 -6.722 -3.559 1.00 0.00 C ATOM 1578 C GLU A 95 -4.145 -7.729 -4.499 1.00 0.00 C ATOM 1579 O GLU A 95 -3.549 -8.748 -4.842 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.098 -6.841 -2.149 1.00 0.00 C ATOM 1581 CG GLU A 95 -4.042 -8.276 -1.610 1.00 0.00 C ATOM 1582 CD GLU A 95 -4.249 -8.384 -0.108 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -5.404 -8.273 0.351 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -3.253 -8.617 0.618 1.00 0.00 O ATOM 0 H GLU A 95 -4.214 -4.740 -3.586 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.431 -6.928 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.560 -6.179 -1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.134 -6.503 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.803 -8.872 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.076 -8.711 -1.865 1.00 0.00 H new ATOM 1591 N MET A 96 -5.358 -7.412 -4.942 1.00 0.00 N ATOM 1592 CA MET A 96 -6.070 -8.241 -5.913 1.00 0.00 C ATOM 1593 C MET A 96 -5.194 -8.479 -7.147 1.00 0.00 C ATOM 1594 O MET A 96 -5.068 -9.605 -7.630 1.00 0.00 O ATOM 1595 CB MET A 96 -7.387 -7.561 -6.322 1.00 0.00 C ATOM 1596 CG MET A 96 -8.257 -8.367 -7.291 1.00 0.00 C ATOM 1597 SD MET A 96 -9.219 -9.678 -6.489 1.00 0.00 S ATOM 1598 CE MET A 96 -7.980 -10.942 -6.198 1.00 0.00 C ATOM 0 H MET A 96 -5.872 -6.583 -4.643 1.00 0.00 H new ATOM 0 HA MET A 96 -6.298 -9.203 -5.454 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.967 -7.355 -5.422 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.155 -6.599 -6.779 1.00 0.00 H new ATOM 0 HG2 MET A 96 -8.940 -7.689 -7.802 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.619 -8.812 -8.054 1.00 0.00 H new ATOM 0 HE1 MET A 96 -8.412 -11.925 -6.384 1.00 0.00 H new ATOM 0 HE2 MET A 96 -7.135 -10.784 -6.868 1.00 0.00 H new ATOM 0 HE3 MET A 96 -7.639 -10.886 -5.164 1.00 0.00 H new ATOM 1608 N TYR A 97 -4.571 -7.406 -7.623 1.00 0.00 N ATOM 1609 CA TYR A 97 -3.691 -7.454 -8.790 1.00 0.00 C ATOM 1610 C TYR A 97 -2.442 -8.297 -8.512 1.00 0.00 C ATOM 1611 O TYR A 97 -2.254 -9.359 -9.103 1.00 0.00 O ATOM 1612 CB TYR A 97 -3.308 -6.018 -9.191 1.00 0.00 C ATOM 1613 CG TYR A 97 -2.152 -5.903 -10.175 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -2.152 -6.601 -11.381 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -1.060 -5.085 -9.894 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -1.099 -6.488 -12.270 1.00 0.00 C ATOM 1617 CE2 TYR A 97 -0.006 -4.966 -10.777 1.00 0.00 C ATOM 1618 CZ TYR A 97 -0.028 -5.670 -11.965 1.00 0.00 C ATOM 1619 OH TYR A 97 1.022 -5.558 -12.850 1.00 0.00 O ATOM 0 H TYR A 97 -4.661 -6.477 -7.212 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.221 -7.931 -9.615 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.183 -5.534 -9.626 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.052 -5.463 -8.289 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.988 -7.240 -11.625 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.038 -4.533 -8.966 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.114 -7.037 -13.200 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.831 -4.326 -10.540 1.00 0.00 H new ATOM 0 HH TYR A 97 1.693 -4.943 -12.486 1.00 0.00 H new ATOM 1629 N GLN A 98 -1.603 -7.817 -7.602 1.00 0.00 N ATOM 1630 CA GLN A 98 -0.329 -8.463 -7.287 1.00 0.00 C ATOM 1631 C GLN A 98 -0.543 -9.909 -6.827 1.00 0.00 C ATOM 1632 O GLN A 98 0.025 -10.846 -7.402 1.00 0.00 O ATOM 1633 CB GLN A 98 0.410 -7.652 -6.207 1.00 0.00 C ATOM 1634 CG GLN A 98 1.769 -8.220 -5.808 1.00 0.00 C ATOM 1635 CD GLN A 98 2.548 -7.308 -4.864 1.00 0.00 C ATOM 1636 OE1 GLN A 98 3.779 -7.292 -4.877 1.00 0.00 O ATOM 1637 NE2 GLN A 98 1.843 -6.544 -4.037 1.00 0.00 N ATOM 0 H GLN A 98 -1.783 -6.971 -7.061 1.00 0.00 H new ATOM 0 HA GLN A 98 0.280 -8.491 -8.190 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.548 -6.633 -6.567 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.220 -7.594 -5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.624 -9.189 -5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.361 -8.393 -6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.824 -6.582 -4.052 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.321 -5.920 -3.387 1.00 0.00 H new ATOM 1646 N SER A 99 -1.374 -10.086 -5.806 1.00 0.00 N ATOM 1647 CA SER A 99 -1.644 -11.413 -5.266 1.00 0.00 C ATOM 1648 C SER A 99 -2.357 -12.272 -6.310 1.00 0.00 C ATOM 1649 O SER A 99 -1.999 -13.427 -6.515 1.00 0.00 O ATOM 1650 CB SER A 99 -2.481 -11.306 -3.978 1.00 0.00 C ATOM 1651 OG SER A 99 -2.676 -12.571 -3.368 1.00 0.00 O ATOM 0 H SER A 99 -1.871 -9.329 -5.337 1.00 0.00 H new ATOM 0 HA SER A 99 -0.697 -11.892 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.983 -10.637 -3.276 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.449 -10.862 -4.210 1.00 0.00 H new ATOM 0 HG SER A 99 -2.056 -13.222 -3.759 1.00 0.00 H new ATOM 1657 N GLY A 100 -3.332 -11.687 -7.005 1.00 0.00 N ATOM 1658 CA GLY A 100 -4.073 -12.426 -8.015 1.00 0.00 C ATOM 1659 C GLY A 100 -3.189 -12.904 -9.153 1.00 0.00 C ATOM 1660 O GLY A 100 -3.418 -13.974 -9.722 1.00 0.00 O ATOM 0 H GLY A 100 -3.621 -10.716 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.557 -13.285 -7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.865 -11.793 -8.416 1.00 0.00 H new ATOM 1664 N ALA A 101 -2.176 -12.106 -9.482 1.00 0.00 N ATOM 1665 CA ALA A 101 -1.258 -12.423 -10.572 1.00 0.00 C ATOM 1666 C ALA A 101 -0.258 -13.503 -10.164 1.00 0.00 C ATOM 1667 O ALA A 101 0.064 -14.396 -10.956 1.00 0.00 O ATOM 1668 CB ALA A 101 -0.524 -11.167 -11.028 1.00 0.00 C ATOM 0 H ALA A 101 -1.970 -11.228 -9.005 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.848 -12.811 -11.403 1.00 0.00 H new ATOM 0 HB1 ALA A 101 0.157 -11.419 -11.841 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.247 -10.429 -11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 101 0.044 -10.754 -10.194 1.00 0.00 H new ATOM 1674 N ASN A 102 0.238 -13.420 -8.931 1.00 0.00 N ATOM 1675 CA ASN A 102 1.254 -14.362 -8.447 1.00 0.00 C ATOM 1676 C ASN A 102 0.613 -15.571 -7.761 1.00 0.00 C ATOM 1677 O ASN A 102 0.768 -16.707 -8.216 1.00 0.00 O ATOM 1678 CB ASN A 102 2.225 -13.657 -7.484 1.00 0.00 C ATOM 1679 CG ASN A 102 3.121 -12.642 -8.185 1.00 0.00 C ATOM 1680 OD1 ASN A 102 4.218 -12.972 -8.638 1.00 0.00 O ATOM 1681 ND2 ASN A 102 2.665 -11.401 -8.277 1.00 0.00 N ATOM 0 H ASN A 102 -0.043 -12.715 -8.249 1.00 0.00 H new ATOM 0 HA ASN A 102 1.811 -14.722 -9.312 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.654 -13.153 -6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.847 -14.404 -6.991 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.228 -10.684 -8.734 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.752 -11.163 -7.890 1.00 0.00 H new ATOM 1688 N LEU A 103 -0.121 -15.314 -6.683 1.00 0.00 N ATOM 1689 CA LEU A 103 -0.775 -16.358 -5.891 1.00 0.00 C ATOM 1690 C LEU A 103 -1.672 -15.696 -4.846 1.00 0.00 C ATOM 1691 O LEU A 103 -1.241 -14.770 -4.155 1.00 0.00 O ATOM 1692 CB LEU A 103 0.271 -17.295 -5.240 1.00 0.00 C ATOM 1693 CG LEU A 103 1.419 -16.612 -4.455 1.00 0.00 C ATOM 1694 CD1 LEU A 103 1.029 -16.338 -3.002 1.00 0.00 C ATOM 1695 CD2 LEU A 103 2.694 -17.452 -4.520 1.00 0.00 C ATOM 0 H LEU A 103 -0.282 -14.371 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.391 -16.980 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.251 -17.970 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.713 -17.910 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 103 1.611 -15.650 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.861 -15.859 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.159 -15.681 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.788 -17.278 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.487 -16.954 -3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.506 -18.433 -4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.000 -17.569 -5.560 1.00 0.00 H new ATOM 1707 N VAL A 104 -2.923 -16.140 -4.748 1.00 0.00 N ATOM 1708 CA VAL A 104 -3.910 -15.439 -3.935 1.00 0.00 C ATOM 1709 C VAL A 104 -4.734 -16.392 -3.072 1.00 0.00 C ATOM 1710 O VAL A 104 -5.126 -17.479 -3.504 1.00 0.00 O ATOM 1711 CB VAL A 104 -4.865 -14.595 -4.824 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -5.646 -15.483 -5.793 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -5.814 -13.752 -3.968 1.00 0.00 C ATOM 0 H VAL A 104 -3.274 -16.975 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.350 -14.780 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.252 -13.914 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.306 -14.865 -6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.949 -16.016 -6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.240 -16.202 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.471 -13.172 -4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.414 -14.408 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.234 -13.076 -3.340 1.00 0.00 H new ATOM 1723 N CYS A 105 -4.963 -15.972 -1.836 1.00 0.00 N ATOM 1724 CA CYS A 105 -5.879 -16.649 -0.924 1.00 0.00 C ATOM 1725 C CYS A 105 -6.915 -15.653 -0.402 1.00 0.00 C ATOM 1726 O CYS A 105 -8.046 -16.019 -0.083 1.00 0.00 O ATOM 1727 CB CYS A 105 -5.097 -17.265 0.242 1.00 0.00 C ATOM 1728 SG CYS A 105 -4.008 -16.095 1.093 1.00 0.00 S ATOM 0 H CYS A 105 -4.517 -15.148 -1.434 1.00 0.00 H new ATOM 0 HA CYS A 105 -6.394 -17.448 -1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.803 -17.679 0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.500 -18.096 -0.133 1.00 0.00 H new ATOM 0 HG CYS A 105 -4.541 -14.909 1.068 1.00 0.00 H new ATOM 1734 N ASN A 106 -6.516 -14.379 -0.364 1.00 0.00 N ATOM 1735 CA ASN A 106 -7.346 -13.296 0.177 1.00 0.00 C ATOM 1736 C ASN A 106 -8.637 -13.115 -0.615 1.00 0.00 C ATOM 1737 O ASN A 106 -9.584 -12.511 -0.124 1.00 0.00 O ATOM 1738 CB ASN A 106 -6.557 -11.977 0.180 1.00 0.00 C ATOM 1739 CG ASN A 106 -5.340 -12.017 1.090 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -4.779 -13.083 1.351 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -4.915 -10.857 1.564 1.00 0.00 N ATOM 0 H ASN A 106 -5.608 -14.068 -0.708 1.00 0.00 H new ATOM 0 HA ASN A 106 -7.614 -13.571 1.197 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.237 -11.749 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.214 -11.167 0.496 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.095 -10.823 2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.408 -9.997 1.324 1.00 0.00 H new ATOM 1748 N THR A 107 -8.680 -13.657 -1.828 1.00 0.00 N ATOM 1749 CA THR A 107 -9.842 -13.501 -2.702 1.00 0.00 C ATOM 1750 C THR A 107 -11.139 -13.937 -2.004 1.00 0.00 C ATOM 1751 O THR A 107 -12.214 -13.404 -2.289 1.00 0.00 O ATOM 1752 CB THR A 107 -9.662 -14.293 -4.024 1.00 0.00 C ATOM 1753 OG1 THR A 107 -10.781 -14.067 -4.893 1.00 0.00 O ATOM 1754 CG2 THR A 107 -9.510 -15.790 -3.760 1.00 0.00 C ATOM 0 H THR A 107 -7.923 -14.210 -2.230 1.00 0.00 H new ATOM 0 HA THR A 107 -9.920 -12.440 -2.938 1.00 0.00 H new ATOM 0 HB THR A 107 -8.751 -13.936 -4.504 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.656 -14.570 -5.725 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.386 -16.316 -4.707 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.636 -15.962 -3.132 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.400 -16.162 -3.252 1.00 0.00 H new ATOM 1762 N ARG A 108 -11.033 -14.888 -1.073 1.00 0.00 N ATOM 1763 CA ARG A 108 -12.210 -15.407 -0.376 1.00 0.00 C ATOM 1764 C ARG A 108 -12.553 -14.568 0.868 1.00 0.00 C ATOM 1765 O ARG A 108 -13.664 -14.035 0.951 1.00 0.00 O ATOM 1766 CB ARG A 108 -12.026 -16.893 -0.014 1.00 0.00 C ATOM 1767 CG ARG A 108 -11.929 -17.814 -1.226 1.00 0.00 C ATOM 1768 CD ARG A 108 -11.716 -19.270 -0.822 1.00 0.00 C ATOM 1769 NE ARG A 108 -12.757 -19.758 0.092 1.00 0.00 N ATOM 1770 CZ ARG A 108 -13.087 -21.043 0.232 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -12.511 -21.972 -0.518 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -14.003 -21.402 1.121 1.00 0.00 N ATOM 0 H ARG A 108 -10.150 -15.311 -0.786 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.055 -15.329 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.123 -17.002 0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.863 -17.212 0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.841 -17.732 -1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -11.105 -17.490 -1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.701 -19.893 -1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.741 -19.373 -0.345 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.259 -19.071 0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.809 -21.707 -1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.770 -22.952 -0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -14.457 -20.695 1.699 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.254 -22.385 1.226 1.00 0.00 H new ATOM 1786 N PRO A 109 -11.626 -14.417 1.850 1.00 0.00 N ATOM 1787 CA PRO A 109 -11.892 -13.613 3.056 1.00 0.00 C ATOM 1788 C PRO A 109 -12.120 -12.135 2.724 1.00 0.00 C ATOM 1789 O PRO A 109 -12.623 -11.374 3.555 1.00 0.00 O ATOM 1790 CB PRO A 109 -10.632 -13.805 3.918 1.00 0.00 C ATOM 1791 CG PRO A 109 -9.956 -15.010 3.356 1.00 0.00 C ATOM 1792 CD PRO A 109 -10.271 -15.000 1.888 1.00 0.00 C ATOM 0 HA PRO A 109 -12.803 -13.928 3.565 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -9.984 -12.930 3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -10.890 -13.951 4.967 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.880 -14.972 3.527 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.321 -15.921 3.829 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.556 -14.400 1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.250 -16.003 1.463 1.00 0.00 H new ATOM 1800 N PHE A 110 -11.743 -11.748 1.502 1.00 0.00 N ATOM 1801 CA PHE A 110 -12.037 -10.418 0.957 1.00 0.00 C ATOM 1802 C PHE A 110 -13.504 -10.068 1.219 1.00 0.00 C ATOM 1803 O PHE A 110 -13.827 -9.025 1.797 1.00 0.00 O ATOM 1804 CB PHE A 110 -11.768 -10.431 -0.560 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.568 -9.079 -1.207 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -12.455 -8.030 -0.996 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -10.487 -8.871 -2.051 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -12.263 -6.806 -1.612 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -10.290 -7.652 -2.667 1.00 0.00 C ATOM 1810 CZ PHE A 110 -11.179 -6.618 -2.448 1.00 0.00 C ATOM 0 H PHE A 110 -11.224 -12.349 0.861 1.00 0.00 H new ATOM 0 HA PHE A 110 -11.403 -9.672 1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.881 -11.036 -0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -12.603 -10.928 -1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -13.304 -8.172 -0.344 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -9.789 -9.676 -2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -12.959 -5.999 -1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -9.442 -7.507 -3.320 1.00 0.00 H new ATOM 0 HZ PHE A 110 -11.027 -5.663 -2.930 1.00 0.00 H new ATOM 1820 N ASP A 111 -14.380 -10.985 0.807 1.00 0.00 N ATOM 1821 CA ASP A 111 -15.827 -10.828 0.959 1.00 0.00 C ATOM 1822 C ASP A 111 -16.203 -10.694 2.431 1.00 0.00 C ATOM 1823 O ASP A 111 -17.177 -10.025 2.778 1.00 0.00 O ATOM 1824 CB ASP A 111 -16.551 -12.033 0.336 1.00 0.00 C ATOM 1825 CG ASP A 111 -18.057 -12.020 0.576 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -18.788 -11.379 -0.208 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -18.519 -12.669 1.541 1.00 0.00 O ATOM 0 H ASP A 111 -14.106 -11.859 0.358 1.00 0.00 H new ATOM 0 HA ASP A 111 -16.134 -9.919 0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -16.361 -12.048 -0.737 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.132 -12.952 0.746 1.00 0.00 H new ATOM 1832 N ASN A 112 -15.415 -11.330 3.291 1.00 0.00 N ATOM 1833 CA ASN A 112 -15.666 -11.301 4.727 1.00 0.00 C ATOM 1834 C ASN A 112 -15.396 -9.906 5.284 1.00 0.00 C ATOM 1835 O ASN A 112 -16.310 -9.257 5.777 1.00 0.00 O ATOM 1836 CB ASN A 112 -14.814 -12.353 5.456 1.00 0.00 C ATOM 1837 CG ASN A 112 -15.007 -12.334 6.966 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -14.266 -11.670 7.694 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -16.007 -13.057 7.449 1.00 0.00 N ATOM 0 H ASN A 112 -14.596 -11.873 3.018 1.00 0.00 H new ATOM 0 HA ASN A 112 -16.715 -11.545 4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -15.066 -13.343 5.076 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -13.762 -12.182 5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -16.184 -13.076 8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -16.600 -13.594 6.816 1.00 0.00 H new ATOM 1846 N GLU A 113 -14.156 -9.426 5.161 1.00 0.00 N ATOM 1847 CA GLU A 113 -13.786 -8.125 5.729 1.00 0.00 C ATOM 1848 C GLU A 113 -14.636 -7.009 5.114 1.00 0.00 C ATOM 1849 O GLU A 113 -15.055 -6.072 5.806 1.00 0.00 O ATOM 1850 CB GLU A 113 -12.291 -7.826 5.522 1.00 0.00 C ATOM 1851 CG GLU A 113 -11.822 -6.563 6.246 1.00 0.00 C ATOM 1852 CD GLU A 113 -10.371 -6.195 5.961 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -9.470 -6.754 6.617 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -10.133 -5.326 5.094 1.00 0.00 O ATOM 0 H GLU A 113 -13.399 -9.911 4.680 1.00 0.00 H new ATOM 0 HA GLU A 113 -13.977 -8.167 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.705 -8.676 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.093 -7.720 4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.462 -5.730 5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.948 -6.703 7.320 1.00 0.00 H new