USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=26 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 96 MET CE :methyl -117:sc= -3.89 (180deg=-5.96!) USER MOD Set 1.2: A 107 THR OG1 : rot -82:sc= 1.28 USER MOD Set 2.1: A 99 SER OG : rot 87:sc= 1.29 USER MOD Set 2.2: A 105 CYS SG : rot 46:sc= 0.45 USER MOD Set 2.3: A 106 ASN : amide:sc= 1.35 K(o=3.1,f=0.43) USER MOD Single : A 8 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.42) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0.533 (180deg=0.359!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0229 F(o=-1.3!,f=-0.023) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.37) USER MOD Single : A 28 SER OG : rot 174:sc= 0.918 USER MOD Single : A 29 SER OG : rot 25:sc= 0.112 USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 0.54 (180deg=0.524) USER MOD Single : A 34 ASN : amide:sc= -0.496 K(o=-0.5,f=-1.4!) USER MOD Single : A 43 TYR OH : rot -157:sc= -1.43! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -72:sc= 0.933 USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.255 (180deg=-0.834) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot -170:sc= -1.42 USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= -3.85! (180deg=-4.09!) USER MOD Single : A 69 GLN : amide:sc= -0.996 K(o=-1,f=-4.9!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= -0.0092 (180deg=-0.135) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 81 SER OG : rot 180:sc= 0.171 USER MOD Single : A 85 SER OG : rot -82:sc= 0.934 USER MOD Single : A 86 HIS : no HD1:sc= -0.545 K(o=-0.55,f=-1.7) USER MOD Single : A 87 TYR OH : rot 165:sc=-0.00908 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0346 USER MOD Single : A 94 TYR OH : rot -130:sc= 0.113 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0.376 X(o=0.38,f=-0.05) USER MOD Single : A 102 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.39) USER MOD Single : A 112 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 45 N GLU A 4 9.886 13.367 -2.020 1.00 0.00 N ATOM 46 CA GLU A 4 10.102 12.469 -0.884 1.00 0.00 C ATOM 47 C GLU A 4 10.189 11.015 -1.348 1.00 0.00 C ATOM 48 O GLU A 4 10.782 10.172 -0.676 1.00 0.00 O ATOM 49 CB GLU A 4 8.965 12.626 0.137 1.00 0.00 C ATOM 50 CG GLU A 4 8.756 14.060 0.618 1.00 0.00 C ATOM 51 CD GLU A 4 10.004 14.663 1.242 1.00 0.00 C ATOM 52 OE1 GLU A 4 10.291 14.371 2.424 1.00 0.00 O ATOM 53 OE2 GLU A 4 10.706 15.435 0.555 1.00 0.00 O ATOM 0 HA GLU A 4 11.047 12.737 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.038 12.264 -0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.174 11.991 0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.442 14.678 -0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.946 14.079 1.347 1.00 0.00 H new ATOM 60 N LEU A 5 9.591 10.739 -2.501 1.00 0.00 N ATOM 61 CA LEU A 5 9.594 9.401 -3.079 1.00 0.00 C ATOM 62 C LEU A 5 10.806 9.233 -4.001 1.00 0.00 C ATOM 63 O LEU A 5 11.423 8.167 -4.056 1.00 0.00 O ATOM 64 CB LEU A 5 8.293 9.171 -3.866 1.00 0.00 C ATOM 65 CG LEU A 5 7.992 7.710 -4.219 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.669 6.906 -2.963 1.00 0.00 C ATOM 67 CD2 LEU A 5 6.856 7.611 -5.234 1.00 0.00 C ATOM 0 H LEU A 5 9.093 11.433 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 5 9.658 8.665 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.461 9.566 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.339 9.749 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 5 8.886 7.285 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.459 5.872 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.521 6.935 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.797 7.336 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.665 6.563 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.955 8.061 -4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.136 8.139 -6.146 1.00 0.00 H new ATOM 79 N GLU A 6 11.150 10.315 -4.700 1.00 0.00 N ATOM 80 CA GLU A 6 12.257 10.329 -5.654 1.00 0.00 C ATOM 81 C GLU A 6 13.588 10.499 -4.916 1.00 0.00 C ATOM 82 O GLU A 6 14.657 10.576 -5.531 1.00 0.00 O ATOM 83 CB GLU A 6 12.047 11.457 -6.680 1.00 0.00 C ATOM 84 CG GLU A 6 13.050 11.464 -7.832 1.00 0.00 C ATOM 85 CD GLU A 6 12.975 10.215 -8.700 1.00 0.00 C ATOM 86 OE1 GLU A 6 11.999 10.084 -9.471 1.00 0.00 O ATOM 87 OE2 GLU A 6 13.899 9.378 -8.633 1.00 0.00 O ATOM 0 H GLU A 6 10.666 11.209 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 6 12.285 9.379 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.041 11.373 -7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.101 12.415 -6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.873 12.342 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.058 11.557 -7.427 1.00 0.00 H new ATOM 94 N ALA A 7 13.506 10.595 -3.585 1.00 0.00 N ATOM 95 CA ALA A 7 14.690 10.520 -2.728 1.00 0.00 C ATOM 96 C ALA A 7 15.606 9.380 -3.182 1.00 0.00 C ATOM 97 O ALA A 7 16.833 9.484 -3.109 1.00 0.00 O ATOM 98 CB ALA A 7 14.280 10.331 -1.270 1.00 0.00 C ATOM 0 H ALA A 7 12.630 10.725 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 7 15.240 11.457 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.172 10.277 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.665 11.173 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.710 9.407 -1.169 1.00 0.00 H new ATOM 104 N GLN A 8 14.992 8.292 -3.656 1.00 0.00 N ATOM 105 CA GLN A 8 15.718 7.210 -4.316 1.00 0.00 C ATOM 106 C GLN A 8 15.459 7.322 -5.818 1.00 0.00 C ATOM 107 O GLN A 8 14.328 7.579 -6.225 1.00 0.00 O ATOM 108 CB GLN A 8 15.241 5.850 -3.780 1.00 0.00 C ATOM 109 CG GLN A 8 15.230 5.768 -2.255 1.00 0.00 C ATOM 110 CD GLN A 8 16.589 6.052 -1.635 1.00 0.00 C ATOM 111 OE1 GLN A 8 17.633 5.740 -2.213 1.00 0.00 O ATOM 112 NE2 GLN A 8 16.589 6.653 -0.455 1.00 0.00 N ATOM 0 H GLN A 8 13.985 8.140 -3.593 1.00 0.00 H new ATOM 0 HA GLN A 8 16.787 7.287 -4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.236 5.653 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.888 5.066 -4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.502 6.479 -1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.899 4.774 -1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.706 6.896 -0.007 1.00 0.00 H new ATOM 0 HE22 GLN A 8 17.472 6.873 0.005 1.00 0.00 H new ATOM 121 N THR A 9 16.477 7.084 -6.644 1.00 0.00 N ATOM 122 CA THR A 9 16.395 7.465 -8.055 1.00 0.00 C ATOM 123 C THR A 9 16.703 6.309 -9.014 1.00 0.00 C ATOM 124 O THR A 9 17.467 5.395 -8.698 1.00 0.00 O ATOM 125 CB THR A 9 17.337 8.660 -8.338 1.00 0.00 C ATOM 126 OG1 THR A 9 16.994 9.745 -7.464 1.00 0.00 O ATOM 127 CG2 THR A 9 17.238 9.130 -9.788 1.00 0.00 C ATOM 0 H THR A 9 17.352 6.638 -6.369 1.00 0.00 H new ATOM 0 HA THR A 9 15.361 7.754 -8.241 1.00 0.00 H new ATOM 0 HB THR A 9 18.361 8.332 -8.161 1.00 0.00 H new ATOM 0 HG1 THR A 9 17.588 10.505 -7.637 1.00 0.00 H new ATOM 0 HG21 THR A 9 17.915 9.970 -9.945 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.513 8.313 -10.455 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.216 9.443 -10.000 1.00 0.00 H new ATOM 135 N ARG A 10 16.040 6.364 -10.176 1.00 0.00 N ATOM 136 CA ARG A 10 16.207 5.409 -11.282 1.00 0.00 C ATOM 137 C ARG A 10 15.695 4.017 -10.894 1.00 0.00 C ATOM 138 O ARG A 10 15.780 3.064 -11.666 1.00 0.00 O ATOM 139 CB ARG A 10 17.691 5.383 -11.728 1.00 0.00 C ATOM 140 CG ARG A 10 17.931 4.883 -13.158 1.00 0.00 C ATOM 141 CD ARG A 10 18.186 3.381 -13.227 1.00 0.00 C ATOM 142 NE ARG A 10 18.173 2.891 -14.606 1.00 0.00 N ATOM 143 CZ ARG A 10 17.500 1.812 -15.008 1.00 0.00 C ATOM 144 NH1 ARG A 10 16.780 1.113 -14.139 1.00 0.00 N ATOM 145 NH2 ARG A 10 17.536 1.442 -16.281 1.00 0.00 N ATOM 0 H ARG A 10 15.355 7.092 -10.379 1.00 0.00 H new ATOM 0 HA ARG A 10 15.604 5.735 -12.130 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.099 6.390 -11.638 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.250 4.750 -11.039 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.065 5.128 -13.773 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.784 5.411 -13.584 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.149 3.154 -12.770 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.426 2.856 -12.647 1.00 0.00 H new ATOM 0 HE ARG A 10 18.712 3.406 -15.302 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.741 1.401 -13.161 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.266 0.288 -14.449 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.079 1.983 -16.954 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.021 0.617 -16.587 1.00 0.00 H new ATOM 159 N VAL A 11 15.118 3.924 -9.705 1.00 0.00 N ATOM 160 CA VAL A 11 14.337 2.763 -9.307 1.00 0.00 C ATOM 161 C VAL A 11 12.875 3.173 -9.188 1.00 0.00 C ATOM 162 O VAL A 11 11.960 2.374 -9.395 1.00 0.00 O ATOM 163 CB VAL A 11 14.840 2.168 -7.962 1.00 0.00 C ATOM 164 CG1 VAL A 11 14.749 3.197 -6.834 1.00 0.00 C ATOM 165 CG2 VAL A 11 14.072 0.893 -7.607 1.00 0.00 C ATOM 0 H VAL A 11 15.178 4.650 -8.991 1.00 0.00 H new ATOM 0 HA VAL A 11 14.450 1.988 -10.065 1.00 0.00 H new ATOM 0 HB VAL A 11 15.890 1.904 -8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.108 2.752 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.362 4.064 -7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.712 3.510 -6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.443 0.496 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.010 1.122 -7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.215 0.151 -8.393 1.00 0.00 H new ATOM 175 N LYS A 12 12.678 4.449 -8.870 1.00 0.00 N ATOM 176 CA LYS A 12 11.351 5.000 -8.647 1.00 0.00 C ATOM 177 C LYS A 12 10.732 5.460 -9.969 1.00 0.00 C ATOM 178 O LYS A 12 9.517 5.600 -10.075 1.00 0.00 O ATOM 179 CB LYS A 12 11.431 6.169 -7.652 1.00 0.00 C ATOM 180 CG LYS A 12 10.124 6.431 -6.911 1.00 0.00 C ATOM 181 CD LYS A 12 9.790 5.301 -5.930 1.00 0.00 C ATOM 182 CE LYS A 12 10.760 5.258 -4.750 1.00 0.00 C ATOM 183 NZ LYS A 12 10.385 4.217 -3.753 1.00 0.00 N ATOM 0 H LYS A 12 13.433 5.126 -8.761 1.00 0.00 H new ATOM 0 HA LYS A 12 10.713 4.223 -8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.216 5.963 -6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.722 7.072 -8.188 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.196 7.374 -6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.313 6.539 -7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.774 5.433 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.816 4.346 -6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.768 5.062 -5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.782 6.233 -4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.913 4.374 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.365 4.273 -3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.615 3.276 -4.131 1.00 0.00 H new ATOM 197 N LEU A 13 11.582 5.688 -10.975 1.00 0.00 N ATOM 198 CA LEU A 13 11.124 6.108 -12.304 1.00 0.00 C ATOM 199 C LEU A 13 10.265 5.022 -12.946 1.00 0.00 C ATOM 200 O LEU A 13 9.088 5.246 -13.245 1.00 0.00 O ATOM 201 CB LEU A 13 12.315 6.450 -13.222 1.00 0.00 C ATOM 202 CG LEU A 13 12.962 7.831 -12.997 1.00 0.00 C ATOM 203 CD1 LEU A 13 13.500 7.965 -11.577 1.00 0.00 C ATOM 204 CD2 LEU A 13 14.070 8.076 -14.020 1.00 0.00 C ATOM 0 H LEU A 13 12.594 5.589 -10.894 1.00 0.00 H new ATOM 0 HA LEU A 13 10.520 7.006 -12.177 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.081 5.686 -13.091 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.980 6.392 -14.257 1.00 0.00 H new ATOM 0 HG LEU A 13 12.191 8.589 -13.133 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.950 8.950 -11.450 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.683 7.845 -10.866 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.252 7.197 -11.399 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.516 9.055 -13.846 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.835 7.306 -13.919 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.651 8.041 -15.026 1.00 0.00 H new ATOM 216 N ASN A 14 10.856 3.840 -13.145 1.00 0.00 N ATOM 217 CA ASN A 14 10.127 2.707 -13.734 1.00 0.00 C ATOM 218 C ASN A 14 8.875 2.413 -12.917 1.00 0.00 C ATOM 219 O ASN A 14 7.803 2.121 -13.459 1.00 0.00 O ATOM 220 CB ASN A 14 11.011 1.453 -13.794 1.00 0.00 C ATOM 221 CG ASN A 14 12.215 1.626 -14.701 1.00 0.00 C ATOM 222 OD1 ASN A 14 13.289 2.028 -14.254 1.00 0.00 O ATOM 223 ND2 ASN A 14 12.047 1.315 -15.977 1.00 0.00 N ATOM 0 H ASN A 14 11.828 3.641 -12.910 1.00 0.00 H new ATOM 0 HA ASN A 14 9.844 2.978 -14.751 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.352 1.206 -12.789 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.415 0.610 -14.145 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.825 1.405 -16.631 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.140 0.985 -16.306 1.00 0.00 H new ATOM 230 N TYR A 15 9.038 2.503 -11.603 1.00 0.00 N ATOM 231 CA TYR A 15 7.945 2.341 -10.656 1.00 0.00 C ATOM 232 C TYR A 15 6.797 3.285 -10.980 1.00 0.00 C ATOM 233 O TYR A 15 5.684 2.842 -11.243 1.00 0.00 O ATOM 234 CB TYR A 15 8.466 2.607 -9.244 1.00 0.00 C ATOM 235 CG TYR A 15 7.396 2.763 -8.178 1.00 0.00 C ATOM 236 CD1 TYR A 15 6.701 1.664 -7.681 1.00 0.00 C ATOM 237 CD2 TYR A 15 7.110 4.014 -7.645 1.00 0.00 C ATOM 238 CE1 TYR A 15 5.754 1.812 -6.687 1.00 0.00 C ATOM 239 CE2 TYR A 15 6.165 4.168 -6.658 1.00 0.00 C ATOM 240 CZ TYR A 15 5.491 3.069 -6.181 1.00 0.00 C ATOM 241 OH TYR A 15 4.555 3.233 -5.192 1.00 0.00 O ATOM 0 H TYR A 15 9.939 2.692 -11.163 1.00 0.00 H new ATOM 0 HA TYR A 15 7.565 1.321 -10.724 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.125 1.788 -8.957 1.00 0.00 H new ATOM 0 HB3 TYR A 15 9.072 3.513 -9.262 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.906 0.681 -8.079 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.639 4.881 -8.012 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.223 0.951 -6.308 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.953 5.149 -6.259 1.00 0.00 H new ATOM 0 HH TYR A 15 4.496 4.181 -4.951 1.00 0.00 H new ATOM 251 N LEU A 16 7.089 4.585 -10.972 1.00 0.00 N ATOM 252 CA LEU A 16 6.077 5.617 -11.176 1.00 0.00 C ATOM 253 C LEU A 16 5.338 5.358 -12.484 1.00 0.00 C ATOM 254 O LEU A 16 4.109 5.355 -12.520 1.00 0.00 O ATOM 255 CB LEU A 16 6.741 7.011 -11.178 1.00 0.00 C ATOM 256 CG LEU A 16 5.804 8.223 -10.952 1.00 0.00 C ATOM 257 CD1 LEU A 16 6.623 9.475 -10.642 1.00 0.00 C ATOM 258 CD2 LEU A 16 4.904 8.473 -12.163 1.00 0.00 C ATOM 0 H LEU A 16 8.030 4.950 -10.824 1.00 0.00 H new ATOM 0 HA LEU A 16 5.354 5.588 -10.361 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.509 7.024 -10.404 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.249 7.146 -12.133 1.00 0.00 H new ATOM 0 HG LEU A 16 5.164 7.991 -10.101 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.952 10.319 -10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.214 9.309 -9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.288 9.691 -11.478 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.261 9.331 -11.967 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.520 8.674 -13.039 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.288 7.592 -12.347 1.00 0.00 H new ATOM 270 N ASP A 17 6.100 5.111 -13.543 1.00 0.00 N ATOM 271 CA ASP A 17 5.530 4.856 -14.864 1.00 0.00 C ATOM 272 C ASP A 17 4.509 3.715 -14.817 1.00 0.00 C ATOM 273 O ASP A 17 3.339 3.900 -15.162 1.00 0.00 O ATOM 274 CB ASP A 17 6.648 4.525 -15.861 1.00 0.00 C ATOM 275 CG ASP A 17 6.119 4.181 -17.245 1.00 0.00 C ATOM 276 OD1 ASP A 17 5.520 5.066 -17.893 1.00 0.00 O ATOM 277 OD2 ASP A 17 6.299 3.026 -17.693 1.00 0.00 O ATOM 0 H ASP A 17 7.119 5.081 -13.514 1.00 0.00 H new ATOM 0 HA ASP A 17 5.011 5.757 -15.191 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.325 5.376 -15.937 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.231 3.686 -15.481 1.00 0.00 H new ATOM 282 N GLN A 18 4.956 2.547 -14.360 1.00 0.00 N ATOM 283 CA GLN A 18 4.111 1.351 -14.312 1.00 0.00 C ATOM 284 C GLN A 18 2.945 1.525 -13.331 1.00 0.00 C ATOM 285 O GLN A 18 1.769 1.424 -13.710 1.00 0.00 O ATOM 286 CB GLN A 18 4.954 0.137 -13.895 1.00 0.00 C ATOM 287 CG GLN A 18 4.159 -1.160 -13.776 1.00 0.00 C ATOM 288 CD GLN A 18 4.952 -2.287 -13.130 1.00 0.00 C ATOM 289 OE1 GLN A 18 5.836 -1.946 -12.202 1.00 0.00 O flip ATOM 290 NE2 GLN A 18 4.755 -3.459 -13.448 1.00 0.00 N flip ATOM 0 H GLN A 18 5.905 2.401 -14.015 1.00 0.00 H new ATOM 0 HA GLN A 18 3.697 1.193 -15.308 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.753 -0.004 -14.623 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.429 0.349 -12.937 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.258 -0.975 -13.191 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.835 -1.474 -14.768 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.067 -3.684 -14.166 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.280 -4.206 -12.993 1.00 0.00 H new ATOM 299 N ILE A 19 3.294 1.797 -12.075 1.00 0.00 N ATOM 300 CA ILE A 19 2.326 1.859 -10.979 1.00 0.00 C ATOM 301 C ILE A 19 1.237 2.889 -11.278 1.00 0.00 C ATOM 302 O ILE A 19 0.070 2.689 -10.940 1.00 0.00 O ATOM 303 CB ILE A 19 3.030 2.200 -9.628 1.00 0.00 C ATOM 304 CG1 ILE A 19 2.178 1.751 -8.429 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.354 3.691 -9.523 1.00 0.00 C ATOM 306 CD1 ILE A 19 2.160 0.250 -8.230 1.00 0.00 C ATOM 0 H ILE A 19 4.255 1.981 -11.787 1.00 0.00 H new ATOM 0 HA ILE A 19 1.864 0.876 -10.888 1.00 0.00 H new ATOM 0 HB ILE A 19 3.970 1.649 -9.608 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.559 2.225 -7.525 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.156 2.104 -8.567 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.843 3.891 -8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.018 3.977 -10.339 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.432 4.269 -9.586 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.540 0.005 -7.367 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.751 -0.230 -9.119 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.176 -0.107 -8.060 1.00 0.00 H new ATOM 318 N ALA A 20 1.623 3.988 -11.924 1.00 0.00 N ATOM 319 CA ALA A 20 0.672 5.022 -12.291 1.00 0.00 C ATOM 320 C ALA A 20 -0.198 4.547 -13.441 1.00 0.00 C ATOM 321 O ALA A 20 -1.414 4.543 -13.334 1.00 0.00 O ATOM 322 CB ALA A 20 1.384 6.319 -12.658 1.00 0.00 C ATOM 0 H ALA A 20 2.586 4.180 -12.201 1.00 0.00 H new ATOM 0 HA ALA A 20 0.037 5.224 -11.428 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.647 7.075 -12.928 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.966 6.668 -11.805 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.049 6.142 -13.503 1.00 0.00 H new ATOM 328 N LYS A 21 0.438 4.106 -14.522 1.00 0.00 N ATOM 329 CA LYS A 21 -0.277 3.738 -15.744 1.00 0.00 C ATOM 330 C LYS A 21 -1.376 2.712 -15.477 1.00 0.00 C ATOM 331 O LYS A 21 -2.459 2.800 -16.060 1.00 0.00 O ATOM 332 CB LYS A 21 0.710 3.199 -16.793 1.00 0.00 C ATOM 333 CG LYS A 21 0.073 2.803 -18.128 1.00 0.00 C ATOM 334 CD LYS A 21 -0.391 4.015 -18.934 1.00 0.00 C ATOM 335 CE LYS A 21 -0.972 3.604 -20.285 1.00 0.00 C ATOM 336 NZ LYS A 21 -1.280 4.778 -21.143 1.00 0.00 N ATOM 0 H LYS A 21 1.450 3.994 -14.579 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.757 4.638 -16.127 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.470 3.957 -16.980 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.221 2.330 -16.378 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.792 2.233 -18.716 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.777 2.147 -17.941 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.142 4.564 -18.366 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.449 4.692 -19.090 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.265 2.955 -20.801 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.881 3.023 -20.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.672 4.452 -22.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.975 5.386 -20.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.409 5.319 -21.317 1.00 0.00 H new ATOM 350 N PHE A 22 -1.109 1.743 -14.609 1.00 0.00 N ATOM 351 CA PHE A 22 -2.121 0.745 -14.269 1.00 0.00 C ATOM 352 C PHE A 22 -3.358 1.420 -13.668 1.00 0.00 C ATOM 353 O PHE A 22 -4.432 1.425 -14.269 1.00 0.00 O ATOM 354 CB PHE A 22 -1.557 -0.309 -13.297 1.00 0.00 C ATOM 355 CG PHE A 22 -2.601 -1.273 -12.765 1.00 0.00 C ATOM 356 CD1 PHE A 22 -3.128 -2.276 -13.569 1.00 0.00 C ATOM 357 CD2 PHE A 22 -3.066 -1.162 -11.460 1.00 0.00 C ATOM 358 CE1 PHE A 22 -4.092 -3.142 -13.082 1.00 0.00 C ATOM 359 CE2 PHE A 22 -4.025 -2.026 -10.969 1.00 0.00 C ATOM 360 CZ PHE A 22 -4.541 -3.017 -11.781 1.00 0.00 C ATOM 0 H PHE A 22 -0.215 1.626 -14.133 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.413 0.235 -15.187 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.777 -0.877 -13.804 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.085 0.201 -12.457 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.781 -2.381 -14.586 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.671 -0.387 -10.819 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.494 -3.916 -13.719 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.371 -1.927 -9.951 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.293 -3.692 -11.400 1.00 0.00 H new ATOM 370 N TRP A 23 -3.178 2.037 -12.510 1.00 0.00 N ATOM 371 CA TRP A 23 -4.292 2.535 -11.711 1.00 0.00 C ATOM 372 C TRP A 23 -4.843 3.860 -12.247 1.00 0.00 C ATOM 373 O TRP A 23 -5.997 4.207 -11.988 1.00 0.00 O ATOM 374 CB TRP A 23 -3.847 2.685 -10.249 1.00 0.00 C ATOM 375 CG TRP A 23 -4.942 3.112 -9.317 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.935 4.192 -8.488 1.00 0.00 C ATOM 377 CD2 TRP A 23 -6.209 2.470 -9.125 1.00 0.00 C ATOM 378 NE1 TRP A 23 -6.111 4.263 -7.791 1.00 0.00 N ATOM 379 CE2 TRP A 23 -6.909 3.216 -8.160 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.817 1.338 -9.672 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -8.185 2.865 -7.732 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -8.084 0.994 -9.251 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.758 1.755 -8.287 1.00 0.00 C ATOM 0 H TRP A 23 -2.261 2.207 -12.097 1.00 0.00 H new ATOM 0 HA TRP A 23 -5.103 1.809 -11.775 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.441 1.734 -9.904 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -3.038 3.413 -10.200 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.118 4.893 -8.394 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.353 4.980 -7.107 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.304 0.742 -10.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.705 3.449 -6.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.565 0.123 -9.671 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.749 1.459 -7.976 1.00 0.00 H new ATOM 394 N GLU A 24 -4.038 4.585 -13.021 1.00 0.00 N ATOM 395 CA GLU A 24 -4.450 5.892 -13.527 1.00 0.00 C ATOM 396 C GLU A 24 -5.428 5.702 -14.688 1.00 0.00 C ATOM 397 O GLU A 24 -6.183 6.609 -15.043 1.00 0.00 O ATOM 398 CB GLU A 24 -3.212 6.692 -13.981 1.00 0.00 C ATOM 399 CG GLU A 24 -3.471 8.157 -14.328 1.00 0.00 C ATOM 400 CD GLU A 24 -3.848 9.010 -13.123 1.00 0.00 C ATOM 401 OE1 GLU A 24 -3.139 8.950 -12.092 1.00 0.00 O ATOM 402 OE2 GLU A 24 -4.847 9.754 -13.200 1.00 0.00 O ATOM 0 H GLU A 24 -3.104 4.293 -13.309 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.949 6.452 -12.736 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.463 6.650 -13.190 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.782 6.200 -14.853 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.579 8.575 -14.794 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.271 8.211 -15.066 1.00 0.00 H new ATOM 409 N ILE A 25 -5.404 4.503 -15.272 1.00 0.00 N ATOM 410 CA ILE A 25 -6.269 4.168 -16.402 1.00 0.00 C ATOM 411 C ILE A 25 -7.445 3.285 -15.959 1.00 0.00 C ATOM 412 O ILE A 25 -8.455 3.194 -16.660 1.00 0.00 O ATOM 413 CB ILE A 25 -5.461 3.460 -17.527 1.00 0.00 C ATOM 414 CG1 ILE A 25 -4.279 4.343 -17.976 1.00 0.00 C ATOM 415 CG2 ILE A 25 -6.354 3.114 -18.721 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.685 5.708 -18.496 1.00 0.00 C ATOM 0 H ILE A 25 -4.790 3.744 -14.978 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.671 5.101 -16.796 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.069 2.527 -17.122 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.599 4.475 -17.135 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.725 3.820 -18.755 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.759 2.620 -19.489 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.153 2.447 -18.397 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.787 4.028 -19.128 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.795 6.265 -18.790 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.340 5.589 -19.359 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.212 6.254 -17.713 1.00 0.00 H new ATOM 428 N GLN A 26 -7.325 2.649 -14.790 1.00 0.00 N ATOM 429 CA GLN A 26 -8.385 1.769 -14.274 1.00 0.00 C ATOM 430 C GLN A 26 -9.566 2.572 -13.708 1.00 0.00 C ATOM 431 O GLN A 26 -9.973 2.373 -12.561 1.00 0.00 O ATOM 432 CB GLN A 26 -7.826 0.818 -13.202 1.00 0.00 C ATOM 433 CG GLN A 26 -6.878 -0.244 -13.749 1.00 0.00 C ATOM 434 CD GLN A 26 -7.535 -1.151 -14.776 1.00 0.00 C ATOM 435 OE1 GLN A 26 -7.527 -0.865 -15.972 1.00 0.00 O ATOM 436 NE2 GLN A 26 -8.109 -2.252 -14.318 1.00 0.00 N ATOM 0 H GLN A 26 -6.509 2.725 -14.183 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.755 1.179 -15.113 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.302 1.405 -12.448 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.658 0.324 -12.700 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.016 0.245 -14.202 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.504 -0.850 -12.924 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.096 -2.456 -13.319 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.565 -2.896 -14.964 1.00 0.00 H new ATOM 445 N GLY A 27 -10.115 3.474 -14.528 1.00 0.00 N ATOM 446 CA GLY A 27 -11.259 4.284 -14.127 1.00 0.00 C ATOM 447 C GLY A 27 -11.017 5.029 -12.829 1.00 0.00 C ATOM 448 O GLY A 27 -11.953 5.310 -12.076 1.00 0.00 O ATOM 0 H GLY A 27 -9.781 3.658 -15.474 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.487 5.000 -14.916 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.133 3.643 -14.016 1.00 0.00 H new ATOM 452 N SER A 28 -9.753 5.337 -12.570 1.00 0.00 N ATOM 453 CA SER A 28 -9.340 5.972 -11.330 1.00 0.00 C ATOM 454 C SER A 28 -8.121 6.865 -11.573 1.00 0.00 C ATOM 455 O SER A 28 -7.726 7.088 -12.720 1.00 0.00 O ATOM 456 CB SER A 28 -9.028 4.892 -10.287 1.00 0.00 C ATOM 457 OG SER A 28 -10.160 4.064 -10.054 1.00 0.00 O ATOM 0 H SER A 28 -8.986 5.152 -13.216 1.00 0.00 H new ATOM 0 HA SER A 28 -10.147 6.601 -10.955 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.192 4.282 -10.629 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.719 5.362 -9.353 1.00 0.00 H new ATOM 0 HG SER A 28 -9.908 3.325 -9.461 1.00 0.00 H new ATOM 463 N SER A 29 -7.537 7.376 -10.493 1.00 0.00 N ATOM 464 CA SER A 29 -6.353 8.224 -10.575 1.00 0.00 C ATOM 465 C SER A 29 -5.414 7.926 -9.408 1.00 0.00 C ATOM 466 O SER A 29 -5.843 7.916 -8.251 1.00 0.00 O ATOM 467 CB SER A 29 -6.776 9.700 -10.567 1.00 0.00 C ATOM 468 OG SER A 29 -7.636 9.983 -9.471 1.00 0.00 O ATOM 0 H SER A 29 -7.869 7.215 -9.542 1.00 0.00 H new ATOM 0 HA SER A 29 -5.822 8.016 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.891 10.334 -10.511 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.283 9.941 -11.502 1.00 0.00 H new ATOM 0 HG SER A 29 -7.474 9.337 -8.752 1.00 0.00 H new ATOM 474 N LEU A 30 -4.137 7.680 -9.706 1.00 0.00 N ATOM 475 CA LEU A 30 -3.168 7.320 -8.674 1.00 0.00 C ATOM 476 C LEU A 30 -2.422 8.547 -8.159 1.00 0.00 C ATOM 477 O LEU A 30 -1.406 8.955 -8.726 1.00 0.00 O ATOM 478 CB LEU A 30 -2.160 6.284 -9.192 1.00 0.00 C ATOM 479 CG LEU A 30 -1.119 5.827 -8.150 1.00 0.00 C ATOM 480 CD1 LEU A 30 -1.804 5.176 -6.953 1.00 0.00 C ATOM 481 CD2 LEU A 30 -0.106 4.876 -8.773 1.00 0.00 C ATOM 0 H LEU A 30 -3.753 7.724 -10.650 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.731 6.881 -7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.706 5.411 -9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.636 6.704 -10.051 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.583 6.709 -7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.051 4.861 -6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.479 5.893 -6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.372 4.308 -7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.617 4.569 -8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.622 3.997 -9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.413 5.380 -9.588 1.00 0.00 H new ATOM 493 N LYS A 31 -2.957 9.152 -7.109 1.00 0.00 N ATOM 494 CA LYS A 31 -2.266 10.218 -6.388 1.00 0.00 C ATOM 495 C LYS A 31 -2.072 9.791 -4.935 1.00 0.00 C ATOM 496 O LYS A 31 -2.974 9.937 -4.108 1.00 0.00 O ATOM 497 CB LYS A 31 -3.039 11.552 -6.472 1.00 0.00 C ATOM 498 CG LYS A 31 -2.804 12.342 -7.766 1.00 0.00 C ATOM 499 CD LYS A 31 -3.374 11.646 -9.004 1.00 0.00 C ATOM 500 CE LYS A 31 -3.000 12.383 -10.287 1.00 0.00 C ATOM 501 NZ LYS A 31 -3.539 11.708 -11.501 1.00 0.00 N ATOM 0 H LYS A 31 -3.876 8.922 -6.732 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.294 10.385 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.105 11.347 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.756 12.176 -5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.257 13.329 -7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.733 12.495 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.002 10.623 -9.050 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.459 11.587 -8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.380 13.404 -10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.915 12.450 -10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.191 12.194 -12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.225 10.717 -11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.578 11.742 -11.484 1.00 0.00 H new ATOM 515 N ILE A 32 -0.907 9.214 -4.649 1.00 0.00 N ATOM 516 CA ILE A 32 -0.599 8.707 -3.314 1.00 0.00 C ATOM 517 C ILE A 32 -0.318 9.857 -2.337 1.00 0.00 C ATOM 518 O ILE A 32 0.600 10.652 -2.548 1.00 0.00 O ATOM 519 CB ILE A 32 0.600 7.716 -3.336 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.803 8.319 -4.088 1.00 0.00 C ATOM 521 CG2 ILE A 32 0.182 6.386 -3.962 1.00 0.00 C ATOM 522 CD1 ILE A 32 3.008 7.398 -4.164 1.00 0.00 C ATOM 0 H ILE A 32 -0.157 9.086 -5.328 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.478 8.163 -2.969 1.00 0.00 H new ATOM 0 HB ILE A 32 0.907 7.532 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.493 8.579 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.098 9.246 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.032 5.704 -3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.629 5.948 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.156 6.555 -4.984 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.812 7.894 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.346 7.158 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.732 6.480 -4.683 1.00 0.00 H new ATOM 534 N PRO A 33 -1.133 9.974 -1.265 1.00 0.00 N ATOM 535 CA PRO A 33 -1.000 11.050 -0.272 1.00 0.00 C ATOM 536 C PRO A 33 0.241 10.904 0.614 1.00 0.00 C ATOM 537 O PRO A 33 1.035 9.962 0.468 1.00 0.00 O ATOM 538 CB PRO A 33 -2.286 10.932 0.578 1.00 0.00 C ATOM 539 CG PRO A 33 -3.180 10.002 -0.178 1.00 0.00 C ATOM 540 CD PRO A 33 -2.265 9.091 -0.945 1.00 0.00 C ATOM 0 HA PRO A 33 -0.880 12.019 -0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.065 10.543 1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.757 11.905 0.714 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.818 9.435 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.838 10.552 -0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.954 8.232 -0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.742 8.700 -1.844 1.00 0.00 H new ATOM 548 N ASN A 34 0.388 11.843 1.546 1.00 0.00 N ATOM 549 CA ASN A 34 1.513 11.857 2.466 1.00 0.00 C ATOM 550 C ASN A 34 1.061 12.232 3.864 1.00 0.00 C ATOM 551 O ASN A 34 0.041 12.900 4.049 1.00 0.00 O ATOM 552 CB ASN A 34 2.613 12.821 1.975 1.00 0.00 C ATOM 553 CG ASN A 34 2.145 14.260 1.789 1.00 0.00 C ATOM 554 OD1 ASN A 34 1.277 14.754 2.508 1.00 0.00 O ATOM 555 ND2 ASN A 34 2.728 14.946 0.817 1.00 0.00 N ATOM 0 H ASN A 34 -0.269 12.611 1.681 1.00 0.00 H new ATOM 0 HA ASN A 34 1.932 10.851 2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.437 12.808 2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.006 12.453 1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.461 15.915 0.646 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.444 14.505 0.240 1.00 0.00 H new ATOM 562 N VAL A 35 1.816 11.765 4.840 1.00 0.00 N ATOM 563 CA VAL A 35 1.590 12.100 6.233 1.00 0.00 C ATOM 564 C VAL A 35 2.918 12.519 6.857 1.00 0.00 C ATOM 565 O VAL A 35 3.946 11.924 6.551 1.00 0.00 O ATOM 566 CB VAL A 35 0.969 10.913 7.021 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.843 9.665 6.918 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.724 11.298 8.482 1.00 0.00 C ATOM 0 H VAL A 35 2.607 11.139 4.688 1.00 0.00 H new ATOM 0 HA VAL A 35 0.875 12.921 6.284 1.00 0.00 H new ATOM 0 HB VAL A 35 0.005 10.678 6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.383 8.851 7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.941 9.375 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.830 9.877 7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.289 10.451 9.013 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.670 11.573 8.949 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.039 12.144 8.525 1.00 0.00 H new ATOM 578 N GLU A 36 2.890 13.577 7.677 1.00 0.00 N ATOM 579 CA GLU A 36 4.093 14.143 8.321 1.00 0.00 C ATOM 580 C GLU A 36 5.121 14.591 7.276 1.00 0.00 C ATOM 581 O GLU A 36 6.307 14.758 7.573 1.00 0.00 O ATOM 582 CB GLU A 36 4.724 13.183 9.346 1.00 0.00 C ATOM 583 CG GLU A 36 5.595 12.061 8.770 1.00 0.00 C ATOM 584 CD GLU A 36 6.913 11.900 9.512 1.00 0.00 C ATOM 585 OE1 GLU A 36 7.781 12.792 9.385 1.00 0.00 O ATOM 586 OE2 GLU A 36 7.092 10.888 10.217 1.00 0.00 O ATOM 0 H GLU A 36 2.030 14.071 7.917 1.00 0.00 H new ATOM 0 HA GLU A 36 3.766 15.022 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.331 13.769 10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.923 12.730 9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.043 11.122 8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.797 12.267 7.719 1.00 0.00 H new ATOM 593 N ARG A 37 4.616 14.816 6.068 1.00 0.00 N ATOM 594 CA ARG A 37 5.407 15.226 4.890 1.00 0.00 C ATOM 595 C ARG A 37 6.083 14.023 4.228 1.00 0.00 C ATOM 596 O ARG A 37 6.817 14.175 3.253 1.00 0.00 O ATOM 597 CB ARG A 37 6.461 16.316 5.209 1.00 0.00 C ATOM 598 CG ARG A 37 5.889 17.702 5.536 1.00 0.00 C ATOM 599 CD ARG A 37 5.242 17.752 6.914 1.00 0.00 C ATOM 600 NE ARG A 37 4.765 19.089 7.264 1.00 0.00 N ATOM 601 CZ ARG A 37 4.670 19.544 8.513 1.00 0.00 C ATOM 602 NH1 ARG A 37 5.095 18.800 9.528 1.00 0.00 N ATOM 603 NH2 ARG A 37 4.169 20.750 8.746 1.00 0.00 N ATOM 0 H ARG A 37 3.621 14.719 5.865 1.00 0.00 H new ATOM 0 HA ARG A 37 4.692 15.665 4.194 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.063 15.981 6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.133 16.410 4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.687 18.443 5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.152 17.975 4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.406 17.053 6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.962 17.420 7.662 1.00 0.00 H new ATOM 0 HE ARG A 37 4.488 19.712 6.505 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.495 17.878 9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.021 19.150 10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.856 21.331 7.968 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.097 21.096 9.703 1.00 0.00 H new ATOM 617 N ARG A 38 5.823 12.828 4.750 1.00 0.00 N ATOM 618 CA ARG A 38 6.355 11.600 4.168 1.00 0.00 C ATOM 619 C ARG A 38 5.305 10.924 3.300 1.00 0.00 C ATOM 620 O ARG A 38 4.174 10.693 3.732 1.00 0.00 O ATOM 621 CB ARG A 38 6.864 10.650 5.260 1.00 0.00 C ATOM 622 CG ARG A 38 8.268 11.001 5.725 1.00 0.00 C ATOM 623 CD ARG A 38 8.727 10.152 6.906 1.00 0.00 C ATOM 624 NE ARG A 38 10.094 10.494 7.302 1.00 0.00 N ATOM 625 CZ ARG A 38 10.518 10.626 8.561 1.00 0.00 C ATOM 626 NH1 ARG A 38 9.692 10.441 9.584 1.00 0.00 N ATOM 627 NH2 ARG A 38 11.777 10.970 8.794 1.00 0.00 N ATOM 0 H ARG A 38 5.245 12.684 5.578 1.00 0.00 H new ATOM 0 HA ARG A 38 7.203 11.861 3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.184 10.681 6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.854 9.628 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.964 10.870 4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.301 12.054 6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.053 10.302 7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.676 9.096 6.640 1.00 0.00 H new ATOM 0 HE ARG A 38 10.776 10.643 6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.717 10.194 9.414 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.032 10.546 10.540 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.414 11.132 8.014 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.108 11.073 9.753 1.00 0.00 H new ATOM 641 N ILE A 39 5.698 10.615 2.075 1.00 0.00 N ATOM 642 CA ILE A 39 4.781 10.096 1.063 1.00 0.00 C ATOM 643 C ILE A 39 4.582 8.588 1.226 1.00 0.00 C ATOM 644 O ILE A 39 5.488 7.879 1.674 1.00 0.00 O ATOM 645 CB ILE A 39 5.304 10.417 -0.362 1.00 0.00 C ATOM 646 CG1 ILE A 39 4.281 10.006 -1.436 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.651 9.737 -0.607 1.00 0.00 C ATOM 648 CD1 ILE A 39 4.688 10.395 -2.845 1.00 0.00 C ATOM 0 H ILE A 39 6.660 10.715 1.750 1.00 0.00 H new ATOM 0 HA ILE A 39 3.817 10.585 1.201 1.00 0.00 H new ATOM 0 HB ILE A 39 5.446 11.495 -0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.137 8.926 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.320 10.465 -1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.001 9.974 -1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.377 10.094 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.537 8.658 -0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.919 10.073 -3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.804 11.477 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.633 9.914 -3.096 1.00 0.00 H new ATOM 660 N LEU A 40 3.390 8.108 0.877 1.00 0.00 N ATOM 661 CA LEU A 40 3.076 6.686 0.983 1.00 0.00 C ATOM 662 C LEU A 40 3.793 5.885 -0.109 1.00 0.00 C ATOM 663 O LEU A 40 3.316 5.788 -1.242 1.00 0.00 O ATOM 664 CB LEU A 40 1.557 6.462 0.907 1.00 0.00 C ATOM 665 CG LEU A 40 1.099 5.005 1.090 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.567 4.453 2.436 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.420 4.897 0.959 1.00 0.00 C ATOM 0 H LEU A 40 2.627 8.683 0.519 1.00 0.00 H new ATOM 0 HA LEU A 40 3.430 6.332 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.077 7.075 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.201 6.819 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 40 1.553 4.404 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.231 3.422 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.655 4.487 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.149 5.056 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.724 3.859 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.896 5.514 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.725 5.241 -0.029 1.00 0.00 H new ATOM 679 N ASP A 41 4.956 5.339 0.239 1.00 0.00 N ATOM 680 CA ASP A 41 5.736 4.508 -0.681 1.00 0.00 C ATOM 681 C ASP A 41 5.109 3.119 -0.808 1.00 0.00 C ATOM 682 O ASP A 41 5.237 2.278 0.087 1.00 0.00 O ATOM 683 CB ASP A 41 7.195 4.397 -0.205 1.00 0.00 C ATOM 684 CG ASP A 41 8.046 3.497 -1.095 1.00 0.00 C ATOM 685 OD1 ASP A 41 8.155 3.777 -2.311 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.629 2.517 -0.581 1.00 0.00 O ATOM 0 H ASP A 41 5.383 5.457 1.158 1.00 0.00 H new ATOM 0 HA ASP A 41 5.729 4.982 -1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.638 5.392 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.210 4.010 0.814 1.00 0.00 H new ATOM 691 N LEU A 42 4.419 2.895 -1.925 1.00 0.00 N ATOM 692 CA LEU A 42 3.712 1.638 -2.164 1.00 0.00 C ATOM 693 C LEU A 42 4.712 0.481 -2.258 1.00 0.00 C ATOM 694 O LEU A 42 4.370 -0.661 -1.965 1.00 0.00 O ATOM 695 CB LEU A 42 2.859 1.746 -3.446 1.00 0.00 C ATOM 696 CG LEU A 42 1.553 0.920 -3.482 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.682 1.349 -4.663 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.838 -0.580 -3.559 1.00 0.00 C ATOM 0 H LEU A 42 4.334 3.572 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 42 3.042 1.437 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.603 2.795 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.476 1.444 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 42 1.017 1.113 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.234 0.758 -4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.431 2.405 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.227 1.191 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.896 -1.129 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.407 -0.796 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.414 -0.886 -2.686 1.00 0.00 H new ATOM 710 N TYR A 43 5.948 0.787 -2.664 1.00 0.00 N ATOM 711 CA TYR A 43 7.027 -0.210 -2.686 1.00 0.00 C ATOM 712 C TYR A 43 7.116 -0.931 -1.340 1.00 0.00 C ATOM 713 O TYR A 43 6.833 -2.130 -1.232 1.00 0.00 O ATOM 714 CB TYR A 43 8.384 0.456 -2.982 1.00 0.00 C ATOM 715 CG TYR A 43 8.849 0.393 -4.424 1.00 0.00 C ATOM 716 CD1 TYR A 43 8.885 -0.814 -5.113 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.293 1.535 -5.081 1.00 0.00 C ATOM 718 CE1 TYR A 43 9.345 -0.881 -6.414 1.00 0.00 C ATOM 719 CE2 TYR A 43 9.763 1.475 -6.376 1.00 0.00 C ATOM 720 CZ TYR A 43 9.786 0.264 -7.042 1.00 0.00 C ATOM 721 OH TYR A 43 10.251 0.199 -8.338 1.00 0.00 O ATOM 0 H TYR A 43 6.228 1.715 -2.982 1.00 0.00 H new ATOM 0 HA TYR A 43 6.797 -0.927 -3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.326 1.503 -2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.142 -0.013 -2.355 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.547 -1.715 -4.623 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.269 2.485 -4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.359 -1.826 -6.937 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.112 2.371 -6.868 1.00 0.00 H new ATOM 0 HH TYR A 43 10.844 0.960 -8.511 1.00 0.00 H new ATOM 731 N SER A 44 7.502 -0.181 -0.314 1.00 0.00 N ATOM 732 CA SER A 44 7.676 -0.730 1.020 1.00 0.00 C ATOM 733 C SER A 44 6.357 -1.289 1.545 1.00 0.00 C ATOM 734 O SER A 44 6.329 -2.351 2.161 1.00 0.00 O ATOM 735 CB SER A 44 8.224 0.345 1.971 1.00 0.00 C ATOM 736 OG SER A 44 8.486 -0.187 3.261 1.00 0.00 O ATOM 0 H SER A 44 7.701 0.817 -0.385 1.00 0.00 H new ATOM 0 HA SER A 44 8.396 -1.546 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.140 0.766 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.506 1.161 2.052 1.00 0.00 H new ATOM 0 HG SER A 44 8.835 0.521 3.842 1.00 0.00 H new ATOM 742 N LEU A 45 5.269 -0.578 1.279 1.00 0.00 N ATOM 743 CA LEU A 45 3.947 -1.000 1.731 1.00 0.00 C ATOM 744 C LEU A 45 3.608 -2.388 1.188 1.00 0.00 C ATOM 745 O LEU A 45 3.174 -3.266 1.935 1.00 0.00 O ATOM 746 CB LEU A 45 2.880 0.016 1.293 1.00 0.00 C ATOM 747 CG LEU A 45 1.430 -0.345 1.664 1.00 0.00 C ATOM 748 CD1 LEU A 45 1.280 -0.515 3.176 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.463 0.713 1.137 1.00 0.00 C ATOM 0 H LEU A 45 5.275 0.295 0.752 1.00 0.00 H new ATOM 0 HA LEU A 45 3.959 -1.048 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.120 0.983 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.941 0.137 0.211 1.00 0.00 H new ATOM 0 HG LEU A 45 1.184 -1.297 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.247 -0.770 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.938 -1.313 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.548 0.416 3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.557 0.441 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.709 1.681 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.546 0.773 0.052 1.00 0.00 H new ATOM 761 N SER A 46 3.855 -2.592 -0.100 1.00 0.00 N ATOM 762 CA SER A 46 3.466 -3.827 -0.764 1.00 0.00 C ATOM 763 C SER A 46 4.347 -4.969 -0.289 1.00 0.00 C ATOM 764 O SER A 46 3.852 -6.051 0.043 1.00 0.00 O ATOM 765 CB SER A 46 3.553 -3.679 -2.289 1.00 0.00 C ATOM 766 OG SER A 46 4.856 -3.304 -2.695 1.00 0.00 O ATOM 0 H SER A 46 4.323 -1.917 -0.705 1.00 0.00 H new ATOM 0 HA SER A 46 2.430 -4.048 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.278 -4.621 -2.764 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.835 -2.931 -2.626 1.00 0.00 H new ATOM 0 HG SER A 46 5.022 -2.372 -2.442 1.00 0.00 H new ATOM 772 N LYS A 47 5.658 -4.718 -0.220 1.00 0.00 N ATOM 773 CA LYS A 47 6.586 -5.748 0.218 1.00 0.00 C ATOM 774 C LYS A 47 6.258 -6.154 1.652 1.00 0.00 C ATOM 775 O LYS A 47 6.363 -7.322 2.009 1.00 0.00 O ATOM 776 CB LYS A 47 8.050 -5.281 0.129 1.00 0.00 C ATOM 777 CG LYS A 47 8.491 -4.396 1.293 1.00 0.00 C ATOM 778 CD LYS A 47 10.012 -4.299 1.399 1.00 0.00 C ATOM 779 CE LYS A 47 10.452 -3.875 2.797 1.00 0.00 C ATOM 780 NZ LYS A 47 9.996 -4.836 3.846 1.00 0.00 N ATOM 0 H LYS A 47 6.089 -3.825 -0.459 1.00 0.00 H new ATOM 0 HA LYS A 47 6.474 -6.603 -0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.698 -6.156 0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.190 -4.734 -0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.073 -3.397 1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.088 -4.795 2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.457 -5.264 1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.383 -3.582 0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.539 -3.796 2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.055 -2.884 3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.628 -4.776 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.026 -4.599 4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.017 -5.803 3.464 1.00 0.00 H new ATOM 794 N ILE A 48 5.845 -5.175 2.467 1.00 0.00 N ATOM 795 CA ILE A 48 5.506 -5.427 3.866 1.00 0.00 C ATOM 796 C ILE A 48 4.246 -6.280 3.971 1.00 0.00 C ATOM 797 O ILE A 48 4.202 -7.219 4.754 1.00 0.00 O ATOM 798 CB ILE A 48 5.337 -4.110 4.674 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.706 -3.436 4.883 1.00 0.00 C ATOM 800 CG2 ILE A 48 4.657 -4.368 6.021 1.00 0.00 C ATOM 801 CD1 ILE A 48 6.638 -2.106 5.609 1.00 0.00 C ATOM 0 H ILE A 48 5.739 -4.203 2.178 1.00 0.00 H new ATOM 0 HA ILE A 48 6.341 -5.974 4.304 1.00 0.00 H new ATOM 0 HB ILE A 48 4.696 -3.441 4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.350 -4.112 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.176 -3.284 3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.553 -3.428 6.562 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.671 -4.801 5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.262 -5.059 6.608 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.643 -1.698 5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.023 -1.411 5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.199 -2.252 6.596 1.00 0.00 H new ATOM 813 N VAL A 49 3.230 -5.968 3.170 1.00 0.00 N ATOM 814 CA VAL A 49 1.997 -6.757 3.170 1.00 0.00 C ATOM 815 C VAL A 49 2.295 -8.214 2.797 1.00 0.00 C ATOM 816 O VAL A 49 1.822 -9.144 3.456 1.00 0.00 O ATOM 817 CB VAL A 49 0.937 -6.175 2.194 1.00 0.00 C ATOM 818 CG1 VAL A 49 -0.305 -7.068 2.136 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.556 -4.752 2.598 1.00 0.00 C ATOM 0 H VAL A 49 3.233 -5.183 2.518 1.00 0.00 H new ATOM 0 HA VAL A 49 1.586 -6.714 4.179 1.00 0.00 H new ATOM 0 HB VAL A 49 1.378 -6.144 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.031 -6.638 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.022 -8.063 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.748 -7.140 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.187 -4.363 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.141 -4.759 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.442 -4.118 2.575 1.00 0.00 H new ATOM 829 N VAL A 50 3.098 -8.402 1.747 1.00 0.00 N ATOM 830 CA VAL A 50 3.503 -9.739 1.303 1.00 0.00 C ATOM 831 C VAL A 50 4.433 -10.390 2.335 1.00 0.00 C ATOM 832 O VAL A 50 4.433 -11.611 2.516 1.00 0.00 O ATOM 833 CB VAL A 50 4.214 -9.684 -0.077 1.00 0.00 C ATOM 834 CG1 VAL A 50 4.629 -11.081 -0.541 1.00 0.00 C ATOM 835 CG2 VAL A 50 3.317 -9.011 -1.117 1.00 0.00 C ATOM 0 H VAL A 50 3.482 -7.642 1.186 1.00 0.00 H new ATOM 0 HA VAL A 50 2.599 -10.340 1.203 1.00 0.00 H new ATOM 0 HB VAL A 50 5.120 -9.088 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.124 -11.011 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.314 -11.517 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.745 -11.712 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.832 -8.982 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.391 -9.576 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.088 -7.995 -0.797 1.00 0.00 H new ATOM 845 N GLU A 51 5.214 -9.555 3.009 1.00 0.00 N ATOM 846 CA GLU A 51 6.124 -9.998 4.064 1.00 0.00 C ATOM 847 C GLU A 51 5.314 -10.500 5.261 1.00 0.00 C ATOM 848 O GLU A 51 5.659 -11.500 5.899 1.00 0.00 O ATOM 849 CB GLU A 51 7.029 -8.823 4.472 1.00 0.00 C ATOM 850 CG GLU A 51 8.196 -9.184 5.383 1.00 0.00 C ATOM 851 CD GLU A 51 9.075 -7.976 5.685 1.00 0.00 C ATOM 852 OE1 GLU A 51 9.592 -7.352 4.727 1.00 0.00 O ATOM 853 OE2 GLU A 51 9.246 -7.634 6.876 1.00 0.00 O ATOM 0 H GLU A 51 5.236 -8.549 2.841 1.00 0.00 H new ATOM 0 HA GLU A 51 6.748 -10.816 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.425 -8.360 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.418 -8.072 4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.814 -9.597 6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.797 -9.962 4.912 1.00 0.00 H new ATOM 860 N GLU A 52 4.221 -9.798 5.530 1.00 0.00 N ATOM 861 CA GLU A 52 3.305 -10.134 6.613 1.00 0.00 C ATOM 862 C GLU A 52 2.449 -11.346 6.236 1.00 0.00 C ATOM 863 O GLU A 52 2.048 -12.132 7.099 1.00 0.00 O ATOM 864 CB GLU A 52 2.426 -8.919 6.930 1.00 0.00 C ATOM 865 CG GLU A 52 3.186 -7.745 7.554 1.00 0.00 C ATOM 866 CD GLU A 52 3.770 -8.063 8.924 1.00 0.00 C ATOM 867 OE1 GLU A 52 4.871 -8.654 8.989 1.00 0.00 O ATOM 868 OE2 GLU A 52 3.139 -7.711 9.942 1.00 0.00 O ATOM 0 H GLU A 52 3.943 -8.973 4.999 1.00 0.00 H new ATOM 0 HA GLU A 52 3.878 -10.397 7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.947 -8.581 6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.631 -9.226 7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.992 -7.446 6.884 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.513 -6.892 7.643 1.00 0.00 H new ATOM 875 N GLY A 53 2.177 -11.492 4.939 1.00 0.00 N ATOM 876 CA GLY A 53 1.517 -12.687 4.435 1.00 0.00 C ATOM 877 C GLY A 53 0.097 -12.457 3.947 1.00 0.00 C ATOM 878 O GLY A 53 -0.508 -13.364 3.369 1.00 0.00 O ATOM 0 H GLY A 53 2.404 -10.800 4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.108 -13.097 3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.501 -13.439 5.224 1.00 0.00 H new ATOM 882 N GLY A 54 -0.454 -11.268 4.181 1.00 0.00 N ATOM 883 CA GLY A 54 -1.808 -10.987 3.727 1.00 0.00 C ATOM 884 C GLY A 54 -2.376 -9.701 4.295 1.00 0.00 C ATOM 885 O GLY A 54 -2.167 -9.389 5.473 1.00 0.00 O ATOM 0 H GLY A 54 0.006 -10.501 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.814 -10.929 2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.457 -11.817 4.006 1.00 0.00 H new ATOM 889 N TYR A 55 -3.099 -8.962 3.453 1.00 0.00 N ATOM 890 CA TYR A 55 -3.757 -7.719 3.852 1.00 0.00 C ATOM 891 C TYR A 55 -4.640 -7.926 5.084 1.00 0.00 C ATOM 892 O TYR A 55 -4.478 -7.236 6.096 1.00 0.00 O ATOM 893 CB TYR A 55 -4.583 -7.175 2.672 1.00 0.00 C ATOM 894 CG TYR A 55 -5.469 -5.985 3.004 1.00 0.00 C ATOM 895 CD1 TYR A 55 -4.952 -4.864 3.635 1.00 0.00 C ATOM 896 CD2 TYR A 55 -6.824 -5.988 2.686 1.00 0.00 C ATOM 897 CE1 TYR A 55 -5.754 -3.781 3.942 1.00 0.00 C ATOM 898 CE2 TYR A 55 -7.632 -4.906 2.990 1.00 0.00 C ATOM 899 CZ TYR A 55 -7.092 -3.806 3.618 1.00 0.00 C ATOM 900 OH TYR A 55 -7.888 -2.727 3.921 1.00 0.00 O ATOM 0 H TYR A 55 -3.245 -9.209 2.474 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.992 -6.990 4.122 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.901 -6.889 1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.209 -7.979 2.285 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.903 -4.836 3.891 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.252 -6.849 2.194 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.332 -2.917 4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.681 -4.924 2.736 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.805 -2.904 3.625 1.00 0.00 H new ATOM 910 N GLU A 56 -5.564 -8.886 5.002 1.00 0.00 N ATOM 911 CA GLU A 56 -6.484 -9.157 6.107 1.00 0.00 C ATOM 912 C GLU A 56 -5.735 -9.445 7.402 1.00 0.00 C ATOM 913 O GLU A 56 -6.130 -8.970 8.459 1.00 0.00 O ATOM 914 CB GLU A 56 -7.428 -10.325 5.790 1.00 0.00 C ATOM 915 CG GLU A 56 -8.137 -10.871 7.031 1.00 0.00 C ATOM 916 CD GLU A 56 -9.339 -11.743 6.719 1.00 0.00 C ATOM 917 OE1 GLU A 56 -9.163 -12.823 6.119 1.00 0.00 O ATOM 918 OE2 GLU A 56 -10.461 -11.358 7.104 1.00 0.00 O ATOM 0 H GLU A 56 -5.694 -9.485 4.187 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.081 -8.254 6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.174 -9.996 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.860 -11.128 5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.424 -11.449 7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.459 -10.034 7.651 1.00 0.00 H new ATOM 925 N ALA A 57 -4.658 -10.216 7.320 1.00 0.00 N ATOM 926 CA ALA A 57 -3.901 -10.592 8.512 1.00 0.00 C ATOM 927 C ALA A 57 -3.432 -9.351 9.266 1.00 0.00 C ATOM 928 O ALA A 57 -3.630 -9.232 10.482 1.00 0.00 O ATOM 929 CB ALA A 57 -2.717 -11.478 8.136 1.00 0.00 C ATOM 0 H ALA A 57 -4.289 -10.592 6.447 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.557 -11.161 9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.165 -11.748 9.036 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.080 -12.382 7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.059 -10.937 7.455 1.00 0.00 H new ATOM 935 N ILE A 58 -2.848 -8.412 8.528 1.00 0.00 N ATOM 936 CA ILE A 58 -2.351 -7.174 9.116 1.00 0.00 C ATOM 937 C ILE A 58 -3.513 -6.344 9.639 1.00 0.00 C ATOM 938 O ILE A 58 -3.450 -5.774 10.726 1.00 0.00 O ATOM 939 CB ILE A 58 -1.581 -6.324 8.082 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.576 -7.188 7.317 1.00 0.00 C ATOM 941 CG2 ILE A 58 -0.873 -5.155 8.765 1.00 0.00 C ATOM 942 CD1 ILE A 58 0.121 -6.451 6.199 1.00 0.00 C ATOM 0 H ILE A 58 -2.707 -8.486 7.520 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.676 -7.449 9.927 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.299 -5.919 7.369 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.172 -7.566 8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.093 -8.054 6.904 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.336 -4.569 8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.610 -4.524 9.262 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.167 -5.538 9.502 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.819 -7.123 5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.618 -6.096 5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.666 -5.601 6.608 1.00 0.00 H new ATOM 954 N CYS A 59 -4.574 -6.297 8.847 1.00 0.00 N ATOM 955 CA CYS A 59 -5.738 -5.479 9.149 1.00 0.00 C ATOM 956 C CYS A 59 -6.529 -6.055 10.323 1.00 0.00 C ATOM 957 O CYS A 59 -7.139 -5.311 11.095 1.00 0.00 O ATOM 958 CB CYS A 59 -6.626 -5.368 7.908 1.00 0.00 C ATOM 959 SG CYS A 59 -8.022 -4.244 8.102 1.00 0.00 S ATOM 0 H CYS A 59 -4.652 -6.825 7.978 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.397 -4.485 9.436 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.018 -5.034 7.068 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.003 -6.359 7.654 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.827 -4.373 7.089 1.00 0.00 H new ATOM 965 N LYS A 60 -6.487 -7.375 10.469 1.00 0.00 N ATOM 966 CA LYS A 60 -7.235 -8.060 11.517 1.00 0.00 C ATOM 967 C LYS A 60 -6.487 -7.934 12.841 1.00 0.00 C ATOM 968 O LYS A 60 -7.093 -7.733 13.895 1.00 0.00 O ATOM 969 CB LYS A 60 -7.435 -9.543 11.150 1.00 0.00 C ATOM 970 CG LYS A 60 -8.399 -10.295 12.065 1.00 0.00 C ATOM 971 CD LYS A 60 -9.854 -9.840 11.897 1.00 0.00 C ATOM 972 CE LYS A 60 -10.507 -10.388 10.623 1.00 0.00 C ATOM 973 NZ LYS A 60 -9.942 -9.800 9.379 1.00 0.00 N ATOM 0 H LYS A 60 -5.940 -7.995 9.871 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.217 -7.598 11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.803 -9.605 10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.467 -10.044 11.172 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.331 -11.363 11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.095 -10.151 13.102 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.432 -10.162 12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.889 -8.751 11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.383 -11.471 10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.578 -10.191 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.489 -10.131 8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.991 -8.763 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.950 -10.095 9.275 1.00 0.00 H new ATOM 987 N ASP A 61 -5.159 -8.041 12.769 1.00 0.00 N ATOM 988 CA ASP A 61 -4.304 -7.918 13.953 1.00 0.00 C ATOM 989 C ASP A 61 -3.949 -6.449 14.209 1.00 0.00 C ATOM 990 O ASP A 61 -3.377 -6.105 15.248 1.00 0.00 O ATOM 991 CB ASP A 61 -3.030 -8.761 13.774 1.00 0.00 C ATOM 992 CG ASP A 61 -2.224 -8.897 15.060 1.00 0.00 C ATOM 993 OD1 ASP A 61 -2.591 -9.736 15.910 1.00 0.00 O ATOM 994 OD2 ASP A 61 -1.218 -8.178 15.225 1.00 0.00 O ATOM 0 H ASP A 61 -4.651 -8.213 11.902 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.849 -8.292 14.820 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.304 -9.753 13.416 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.405 -8.307 13.005 1.00 0.00 H new ATOM 999 N ARG A 62 -4.297 -5.590 13.245 1.00 0.00 N ATOM 1000 CA ARG A 62 -4.095 -4.141 13.352 1.00 0.00 C ATOM 1001 C ARG A 62 -2.597 -3.797 13.361 1.00 0.00 C ATOM 1002 O ARG A 62 -2.169 -2.816 13.974 1.00 0.00 O ATOM 1003 CB ARG A 62 -4.803 -3.597 14.613 1.00 0.00 C ATOM 1004 CG ARG A 62 -4.852 -2.072 14.699 1.00 0.00 C ATOM 1005 CD ARG A 62 -5.559 -1.461 13.494 1.00 0.00 C ATOM 1006 NE ARG A 62 -5.587 0.001 13.551 1.00 0.00 N ATOM 1007 CZ ARG A 62 -6.368 0.764 12.785 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -7.164 0.209 11.877 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -6.343 2.081 12.925 1.00 0.00 N ATOM 0 H ARG A 62 -4.727 -5.880 12.367 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.536 -3.661 12.479 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.822 -3.983 14.638 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.294 -3.983 15.496 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.368 -1.776 15.612 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.838 -1.678 14.764 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.055 -1.778 12.581 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.580 -1.840 13.443 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.971 0.465 14.218 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.179 -0.805 11.764 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.760 0.797 11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.728 2.509 13.617 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.939 2.667 12.341 1.00 0.00 H new ATOM 1023 N ARG A 63 -1.804 -4.577 12.627 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.349 -4.406 12.627 1.00 0.00 C ATOM 1025 C ARG A 63 0.064 -3.120 11.910 1.00 0.00 C ATOM 1026 O ARG A 63 1.211 -2.686 12.032 1.00 0.00 O ATOM 1027 CB ARG A 63 0.351 -5.610 11.983 1.00 0.00 C ATOM 1028 CG ARG A 63 0.027 -6.940 12.650 1.00 0.00 C ATOM 1029 CD ARG A 63 0.825 -8.091 12.052 1.00 0.00 C ATOM 1030 NE ARG A 63 0.464 -9.375 12.654 1.00 0.00 N ATOM 1031 CZ ARG A 63 1.253 -10.081 13.464 1.00 0.00 C ATOM 1032 NH1 ARG A 63 2.462 -9.631 13.788 1.00 0.00 N ATOM 1033 NH2 ARG A 63 0.824 -11.239 13.949 1.00 0.00 N ATOM 0 H ARG A 63 -2.141 -5.330 12.027 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.036 -4.335 13.669 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.068 -5.663 10.932 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.429 -5.451 12.015 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.237 -6.870 13.717 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.038 -7.146 12.547 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.652 -8.133 10.977 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.890 -7.909 12.197 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.457 -9.757 12.438 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.791 -8.740 13.416 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.060 -10.177 14.408 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.104 -11.583 13.701 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.422 -11.785 14.569 1.00 0.00 H new ATOM 1047 N TRP A 64 -0.868 -2.508 11.171 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.586 -1.258 10.454 1.00 0.00 C ATOM 1049 C TRP A 64 0.026 -0.225 11.398 1.00 0.00 C ATOM 1050 O TRP A 64 0.873 0.572 10.998 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.857 -0.660 9.836 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.590 -1.570 8.897 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -3.882 -1.994 9.026 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -2.095 -2.159 7.681 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.220 -2.803 7.975 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.144 -2.920 7.138 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -0.870 -2.121 6.996 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -3.010 -3.632 5.953 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.743 -2.828 5.816 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -1.808 -3.574 5.306 1.00 0.00 C ATOM 0 H TRP A 64 -1.820 -2.855 11.054 1.00 0.00 H new ATOM 0 HA TRP A 64 0.116 -1.501 9.657 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.533 -0.371 10.640 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.589 0.251 9.301 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.541 -1.729 9.839 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -5.128 -3.247 7.838 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.041 -1.549 7.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.829 -4.213 5.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.194 -2.804 5.280 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.679 -4.116 4.381 1.00 0.00 H new ATOM 1071 N ALA A 65 -0.416 -0.256 12.653 1.00 0.00 N ATOM 1072 CA ALA A 65 0.051 0.680 13.668 1.00 0.00 C ATOM 1073 C ALA A 65 1.561 0.554 13.874 1.00 0.00 C ATOM 1074 O ALA A 65 2.307 1.532 13.742 1.00 0.00 O ATOM 1075 CB ALA A 65 -0.695 0.441 14.978 1.00 0.00 C ATOM 0 H ALA A 65 -1.105 -0.928 12.992 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.154 1.695 13.327 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.341 1.144 15.732 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.764 0.586 14.820 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.514 -0.578 15.319 1.00 0.00 H new ATOM 1081 N ARG A 66 2.012 -0.666 14.166 1.00 0.00 N ATOM 1082 CA ARG A 66 3.426 -0.910 14.438 1.00 0.00 C ATOM 1083 C ARG A 66 4.255 -0.704 13.171 1.00 0.00 C ATOM 1084 O ARG A 66 5.416 -0.305 13.239 1.00 0.00 O ATOM 1085 CB ARG A 66 3.634 -2.320 15.039 1.00 0.00 C ATOM 1086 CG ARG A 66 3.382 -3.500 14.091 1.00 0.00 C ATOM 1087 CD ARG A 66 4.616 -3.849 13.260 1.00 0.00 C ATOM 1088 NE ARG A 66 4.448 -5.085 12.487 1.00 0.00 N ATOM 1089 CZ ARG A 66 5.283 -6.126 12.561 1.00 0.00 C ATOM 1090 NH1 ARG A 66 6.290 -6.111 13.429 1.00 0.00 N ATOM 1091 NH2 ARG A 66 5.105 -7.185 11.782 1.00 0.00 N ATOM 0 H ARG A 66 1.421 -1.496 14.220 1.00 0.00 H new ATOM 0 HA ARG A 66 3.770 -0.189 15.179 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.657 -2.388 15.408 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.976 -2.426 15.902 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.079 -4.371 14.671 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.554 -3.258 13.424 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.835 -3.026 12.579 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.476 -3.953 13.921 1.00 0.00 H new ATOM 0 HE ARG A 66 3.648 -5.154 11.857 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.426 -5.305 14.039 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.927 -6.906 13.485 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.328 -7.208 11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.746 -7.976 11.843 1.00 0.00 H new ATOM 1105 N VAL A 67 3.643 -0.969 12.016 1.00 0.00 N ATOM 1106 CA VAL A 67 4.291 -0.732 10.729 1.00 0.00 C ATOM 1107 C VAL A 67 4.511 0.766 10.529 1.00 0.00 C ATOM 1108 O VAL A 67 5.597 1.202 10.143 1.00 0.00 O ATOM 1109 CB VAL A 67 3.455 -1.301 9.550 1.00 0.00 C ATOM 1110 CG1 VAL A 67 4.090 -0.951 8.204 1.00 0.00 C ATOM 1111 CG2 VAL A 67 3.289 -2.814 9.687 1.00 0.00 C ATOM 0 H VAL A 67 2.699 -1.348 11.947 1.00 0.00 H new ATOM 0 HA VAL A 67 5.250 -1.250 10.739 1.00 0.00 H new ATOM 0 HB VAL A 67 2.468 -0.840 9.587 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.483 -1.362 7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.147 0.132 8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.094 -1.373 8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.701 -3.193 8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.270 -3.289 9.685 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.778 -3.041 10.623 1.00 0.00 H new ATOM 1121 N ALA A 68 3.475 1.546 10.826 1.00 0.00 N ATOM 1122 CA ALA A 68 3.541 2.997 10.714 1.00 0.00 C ATOM 1123 C ALA A 68 4.679 3.543 11.568 1.00 0.00 C ATOM 1124 O ALA A 68 5.514 4.315 11.092 1.00 0.00 O ATOM 1125 CB ALA A 68 2.211 3.624 11.122 1.00 0.00 C ATOM 0 H ALA A 68 2.574 1.192 11.148 1.00 0.00 H new ATOM 0 HA ALA A 68 3.737 3.258 9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.277 4.708 11.033 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.419 3.254 10.471 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.985 3.358 12.155 1.00 0.00 H new ATOM 1131 N GLN A 69 4.727 3.111 12.824 1.00 0.00 N ATOM 1132 CA GLN A 69 5.787 3.538 13.734 1.00 0.00 C ATOM 1133 C GLN A 69 7.151 3.049 13.236 1.00 0.00 C ATOM 1134 O GLN A 69 8.161 3.736 13.392 1.00 0.00 O ATOM 1135 CB GLN A 69 5.514 3.029 15.158 1.00 0.00 C ATOM 1136 CG GLN A 69 4.168 3.481 15.729 1.00 0.00 C ATOM 1137 CD GLN A 69 3.970 4.993 15.702 1.00 0.00 C ATOM 1138 OE1 GLN A 69 2.846 5.478 15.566 1.00 0.00 O ATOM 1139 NE2 GLN A 69 5.046 5.750 15.859 1.00 0.00 N ATOM 0 H GLN A 69 4.049 2.469 13.234 1.00 0.00 H new ATOM 0 HA GLN A 69 5.802 4.628 13.759 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.550 1.940 15.157 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.311 3.374 15.816 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.365 3.008 15.163 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.083 3.130 16.757 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.963 5.317 15.969 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.958 6.766 15.870 1.00 0.00 H new ATOM 1148 N ARG A 70 7.164 1.867 12.617 1.00 0.00 N ATOM 1149 CA ARG A 70 8.387 1.299 12.045 1.00 0.00 C ATOM 1150 C ARG A 70 8.908 2.191 10.910 1.00 0.00 C ATOM 1151 O ARG A 70 10.117 2.317 10.707 1.00 0.00 O ATOM 1152 CB ARG A 70 8.116 -0.139 11.549 1.00 0.00 C ATOM 1153 CG ARG A 70 9.342 -0.890 11.007 1.00 0.00 C ATOM 1154 CD ARG A 70 9.623 -0.575 9.539 1.00 0.00 C ATOM 1155 NE ARG A 70 10.775 -1.321 9.027 1.00 0.00 N ATOM 1156 CZ ARG A 70 11.227 -1.239 7.774 1.00 0.00 C ATOM 1157 NH1 ARG A 70 10.627 -0.443 6.894 1.00 0.00 N ATOM 1158 NH2 ARG A 70 12.280 -1.951 7.403 1.00 0.00 N ATOM 0 H ARG A 70 6.337 1.282 12.499 1.00 0.00 H new ATOM 0 HA ARG A 70 9.158 1.255 12.815 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.692 -0.715 12.371 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.360 -0.099 10.765 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.216 -0.630 11.604 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.186 -1.963 11.121 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.743 -0.814 8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.804 0.494 9.426 1.00 0.00 H new ATOM 0 HE ARG A 70 11.264 -1.944 9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.817 0.109 7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.977 -0.384 5.938 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.745 -2.562 8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.626 -1.889 6.445 1.00 0.00 H new ATOM 1172 N LEU A 71 7.986 2.817 10.180 1.00 0.00 N ATOM 1173 CA LEU A 71 8.343 3.742 9.100 1.00 0.00 C ATOM 1174 C LEU A 71 8.766 5.110 9.652 1.00 0.00 C ATOM 1175 O LEU A 71 8.915 6.069 8.895 1.00 0.00 O ATOM 1176 CB LEU A 71 7.176 3.895 8.103 1.00 0.00 C ATOM 1177 CG LEU A 71 7.136 2.859 6.959 1.00 0.00 C ATOM 1178 CD1 LEU A 71 7.063 1.432 7.494 1.00 0.00 C ATOM 1179 CD2 LEU A 71 5.961 3.140 6.022 1.00 0.00 C ATOM 0 H LEU A 71 6.982 2.701 10.316 1.00 0.00 H new ATOM 0 HA LEU A 71 9.196 3.318 8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.239 3.835 8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.224 4.892 7.665 1.00 0.00 H new ATOM 0 HG LEU A 71 8.065 2.954 6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.036 0.731 6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.939 1.229 8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.161 1.314 8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.949 2.400 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.028 3.084 6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.068 4.136 5.593 1.00 0.00 H new ATOM 1191 N ASN A 72 8.959 5.181 10.974 1.00 0.00 N ATOM 1192 CA ASN A 72 9.455 6.391 11.644 1.00 0.00 C ATOM 1193 C ASN A 72 8.408 7.500 11.664 1.00 0.00 C ATOM 1194 O ASN A 72 8.748 8.681 11.786 1.00 0.00 O ATOM 1195 CB ASN A 72 10.762 6.897 11.002 1.00 0.00 C ATOM 1196 CG ASN A 72 11.978 6.091 11.431 1.00 0.00 C ATOM 1197 OD1 ASN A 72 12.647 6.432 12.410 1.00 0.00 O ATOM 1198 ND2 ASN A 72 12.275 5.021 10.709 1.00 0.00 N ATOM 0 H ASN A 72 8.777 4.404 11.609 1.00 0.00 H new ATOM 0 HA ASN A 72 9.667 6.112 12.676 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.668 6.856 9.917 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.912 7.943 11.269 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.081 4.447 10.956 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.698 4.771 9.906 1.00 0.00 H new ATOM 1205 N TYR A 73 7.138 7.122 11.575 1.00 0.00 N ATOM 1206 CA TYR A 73 6.048 8.081 11.712 1.00 0.00 C ATOM 1207 C TYR A 73 5.897 8.493 13.181 1.00 0.00 C ATOM 1208 O TYR A 73 6.314 7.755 14.081 1.00 0.00 O ATOM 1209 CB TYR A 73 4.734 7.493 11.170 1.00 0.00 C ATOM 1210 CG TYR A 73 4.697 7.375 9.655 1.00 0.00 C ATOM 1211 CD1 TYR A 73 5.033 8.456 8.848 1.00 0.00 C ATOM 1212 CD2 TYR A 73 4.316 6.191 9.033 1.00 0.00 C ATOM 1213 CE1 TYR A 73 4.992 8.361 7.472 1.00 0.00 C ATOM 1214 CE2 TYR A 73 4.274 6.089 7.656 1.00 0.00 C ATOM 1215 CZ TYR A 73 4.612 7.176 6.879 1.00 0.00 C ATOM 1216 OH TYR A 73 4.567 7.078 5.507 1.00 0.00 O ATOM 0 H TYR A 73 6.838 6.161 11.409 1.00 0.00 H new ATOM 0 HA TYR A 73 6.284 8.968 11.124 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.581 6.506 11.606 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.904 8.119 11.497 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.332 9.387 9.306 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.048 5.337 9.637 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.257 9.212 6.862 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.977 5.161 7.190 1.00 0.00 H new ATOM 0 HH TYR A 73 4.281 6.176 5.253 1.00 0.00 H new ATOM 1226 N PRO A 74 5.316 9.684 13.446 1.00 0.00 N ATOM 1227 CA PRO A 74 5.162 10.204 14.811 1.00 0.00 C ATOM 1228 C PRO A 74 4.327 9.270 15.694 1.00 0.00 C ATOM 1229 O PRO A 74 3.454 8.553 15.197 1.00 0.00 O ATOM 1230 CB PRO A 74 4.448 11.556 14.614 1.00 0.00 C ATOM 1231 CG PRO A 74 3.834 11.473 13.257 1.00 0.00 C ATOM 1232 CD PRO A 74 4.763 10.615 12.444 1.00 0.00 C ATOM 0 HA PRO A 74 6.121 10.296 15.322 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.691 11.718 15.381 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.151 12.387 14.679 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.837 11.035 13.304 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.727 12.463 12.814 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.234 10.087 11.651 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.545 11.206 11.967 1.00 0.00 H new ATOM 1240 N PRO A 75 4.592 9.261 17.017 1.00 0.00 N ATOM 1241 CA PRO A 75 3.865 8.409 17.964 1.00 0.00 C ATOM 1242 C PRO A 75 2.364 8.705 17.965 1.00 0.00 C ATOM 1243 O PRO A 75 1.934 9.814 17.632 1.00 0.00 O ATOM 1244 CB PRO A 75 4.495 8.748 19.329 1.00 0.00 C ATOM 1245 CG PRO A 75 5.167 10.065 19.129 1.00 0.00 C ATOM 1246 CD PRO A 75 5.615 10.082 17.694 1.00 0.00 C ATOM 0 HA PRO A 75 3.946 7.353 17.708 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.737 8.807 20.110 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.209 7.983 19.635 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.483 10.888 19.335 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.015 10.178 19.805 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.649 11.095 17.294 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.613 9.660 17.578 1.00 0.00 H new ATOM 1254 N GLY A 76 1.573 7.714 18.358 1.00 0.00 N ATOM 1255 CA GLY A 76 0.126 7.851 18.343 1.00 0.00 C ATOM 1256 C GLY A 76 -0.534 6.800 17.475 1.00 0.00 C ATOM 1257 O GLY A 76 -1.709 6.481 17.663 1.00 0.00 O ATOM 0 H GLY A 76 1.910 6.810 18.690 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.256 7.773 19.361 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.141 8.843 17.978 1.00 0.00 H new ATOM 1261 N LYS A 77 0.228 6.269 16.513 1.00 0.00 N ATOM 1262 CA LYS A 77 -0.229 5.176 15.644 1.00 0.00 C ATOM 1263 C LYS A 77 -1.445 5.580 14.799 1.00 0.00 C ATOM 1264 O LYS A 77 -2.106 4.726 14.203 1.00 0.00 O ATOM 1265 CB LYS A 77 -0.550 3.927 16.487 1.00 0.00 C ATOM 1266 CG LYS A 77 0.652 3.374 17.256 1.00 0.00 C ATOM 1267 CD LYS A 77 0.283 2.149 18.096 1.00 0.00 C ATOM 1268 CE LYS A 77 -0.682 2.495 19.226 1.00 0.00 C ATOM 1269 NZ LYS A 77 -0.066 3.414 20.220 1.00 0.00 N ATOM 0 H LYS A 77 1.178 6.583 16.314 1.00 0.00 H new ATOM 0 HA LYS A 77 0.582 4.945 14.953 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.341 4.172 17.196 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.939 3.148 15.831 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.440 3.107 16.552 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.055 4.151 17.906 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.168 1.393 17.454 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.189 1.712 18.515 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.577 2.957 18.810 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.999 1.580 19.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.668 3.464 21.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.875 3.058 20.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.027 4.363 19.805 1.00 0.00 H new ATOM 1283 N ASN A 78 -1.712 6.884 14.722 1.00 0.00 N ATOM 1284 CA ASN A 78 -2.875 7.402 13.989 1.00 0.00 C ATOM 1285 C ASN A 78 -2.798 7.041 12.508 1.00 0.00 C ATOM 1286 O ASN A 78 -3.820 6.806 11.859 1.00 0.00 O ATOM 1287 CB ASN A 78 -2.980 8.930 14.135 1.00 0.00 C ATOM 1288 CG ASN A 78 -3.176 9.383 15.570 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -3.726 8.657 16.400 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -2.744 10.597 15.867 1.00 0.00 N ATOM 0 H ASN A 78 -1.138 7.606 15.159 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.762 6.939 14.421 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.075 9.389 13.737 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.813 9.290 13.531 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.861 10.963 16.812 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.293 11.167 15.151 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.574 6.977 11.990 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.343 6.717 10.567 1.00 0.00 C ATOM 1299 C ILE A 79 -1.923 5.353 10.163 1.00 0.00 C ATOM 1300 O ILE A 79 -2.193 5.110 8.987 1.00 0.00 O ATOM 1301 CB ILE A 79 0.174 6.777 10.196 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.780 8.166 10.499 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.389 6.436 8.720 1.00 0.00 C ATOM 1304 CD1 ILE A 79 1.046 8.440 11.966 1.00 0.00 C ATOM 0 H ILE A 79 -0.721 7.102 12.536 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.854 7.505 10.014 1.00 0.00 H new ATOM 0 HB ILE A 79 0.683 6.036 10.813 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.717 8.265 9.950 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.105 8.932 10.118 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.453 6.485 8.487 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.020 5.430 8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.152 7.150 8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.470 9.438 12.079 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.111 8.378 12.523 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.748 7.701 12.353 1.00 0.00 H new ATOM 1316 N GLY A 80 -2.138 4.482 11.151 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.682 3.158 10.888 1.00 0.00 C ATOM 1318 C GLY A 80 -4.008 3.204 10.142 1.00 0.00 C ATOM 1319 O GLY A 80 -4.180 2.528 9.125 1.00 0.00 O ATOM 0 H GLY A 80 -1.943 4.673 12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.962 2.583 10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.820 2.632 11.833 1.00 0.00 H new ATOM 1323 N SER A 81 -4.941 4.014 10.640 1.00 0.00 N ATOM 1324 CA SER A 81 -6.256 4.158 10.014 1.00 0.00 C ATOM 1325 C SER A 81 -6.128 4.831 8.647 1.00 0.00 C ATOM 1326 O SER A 81 -6.785 4.435 7.678 1.00 0.00 O ATOM 1327 CB SER A 81 -7.178 4.968 10.928 1.00 0.00 C ATOM 1328 OG SER A 81 -7.257 4.375 12.214 1.00 0.00 O ATOM 0 H SER A 81 -4.811 4.582 11.477 1.00 0.00 H new ATOM 0 HA SER A 81 -6.687 3.168 9.865 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.806 5.989 11.015 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.173 5.028 10.488 1.00 0.00 H new ATOM 0 HG SER A 81 -7.849 4.908 12.784 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.266 5.844 8.585 1.00 0.00 N ATOM 1335 CA LEU A 82 -4.971 6.550 7.340 1.00 0.00 C ATOM 1336 C LEU A 82 -4.502 5.556 6.278 1.00 0.00 C ATOM 1337 O LEU A 82 -4.952 5.585 5.130 1.00 0.00 O ATOM 1338 CB LEU A 82 -3.902 7.635 7.609 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.373 8.417 6.383 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -2.926 9.818 6.789 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -2.208 7.684 5.712 1.00 0.00 C ATOM 0 H LEU A 82 -4.754 6.197 9.393 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.871 7.038 6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.318 8.353 8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.053 7.160 8.100 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.193 8.493 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.558 10.351 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.770 10.360 7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.130 9.745 7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.861 8.261 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.392 7.567 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.541 6.701 5.377 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.616 4.661 6.689 1.00 0.00 N ATOM 1354 CA LEU A 83 -3.031 3.673 5.795 1.00 0.00 C ATOM 1355 C LEU A 83 -4.082 2.667 5.326 1.00 0.00 C ATOM 1356 O LEU A 83 -4.189 2.393 4.130 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.874 2.953 6.503 1.00 0.00 C ATOM 1358 CG LEU A 83 -1.194 1.839 5.695 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.670 2.376 4.366 1.00 0.00 C ATOM 1360 CD2 LEU A 83 -0.065 1.202 6.504 1.00 0.00 C ATOM 0 H LEU A 83 -3.283 4.599 7.651 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.646 4.187 4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.121 3.693 6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.250 2.526 7.433 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.937 1.071 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.192 1.569 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.499 2.776 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.056 3.167 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.405 0.415 5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.677 1.961 6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.471 0.776 7.422 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.854 2.129 6.271 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.900 1.152 5.952 1.00 0.00 C ATOM 1374 C ARG A 84 -6.855 1.711 4.897 1.00 0.00 C ATOM 1375 O ARG A 84 -7.082 1.093 3.856 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.695 0.771 7.211 1.00 0.00 C ATOM 1377 CG ARG A 84 -7.698 -0.364 6.981 1.00 0.00 C ATOM 1378 CD ARG A 84 -8.644 -0.545 8.166 1.00 0.00 C ATOM 1379 NE ARG A 84 -9.445 -1.770 8.052 1.00 0.00 N ATOM 1380 CZ ARG A 84 -10.728 -1.816 7.680 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -11.369 -0.705 7.339 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -11.368 -2.984 7.645 1.00 0.00 N ATOM 0 H ARG A 84 -4.776 2.352 7.263 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.413 0.260 5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.998 0.476 7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.229 1.649 7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.279 -0.157 6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.158 -1.294 6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.066 -0.575 9.089 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.308 0.317 8.234 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.987 -2.654 8.274 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.883 0.191 7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.348 -0.747 7.056 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.879 -3.841 7.902 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.347 -3.021 7.361 1.00 0.00 H new ATOM 1396 N SER A 85 -7.390 2.897 5.169 1.00 0.00 N ATOM 1397 CA SER A 85 -8.355 3.530 4.276 1.00 0.00 C ATOM 1398 C SER A 85 -7.717 3.843 2.920 1.00 0.00 C ATOM 1399 O SER A 85 -8.353 3.702 1.871 1.00 0.00 O ATOM 1400 CB SER A 85 -8.919 4.797 4.930 1.00 0.00 C ATOM 1401 OG SER A 85 -7.876 5.651 5.375 1.00 0.00 O ATOM 0 H SER A 85 -7.171 3.441 6.004 1.00 0.00 H new ATOM 0 HA SER A 85 -9.178 2.838 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.549 5.329 4.217 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.553 4.523 5.773 1.00 0.00 H new ATOM 0 HG SER A 85 -7.549 5.341 6.245 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.450 4.259 2.944 1.00 0.00 N ATOM 1408 CA HIS A 86 -5.699 4.497 1.711 1.00 0.00 C ATOM 1409 C HIS A 86 -5.522 3.196 0.934 1.00 0.00 C ATOM 1410 O HIS A 86 -5.563 3.188 -0.298 1.00 0.00 O ATOM 1411 CB HIS A 86 -4.326 5.115 2.008 1.00 0.00 C ATOM 1412 CG HIS A 86 -4.365 6.557 2.424 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -5.524 7.231 2.754 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -3.365 7.457 2.554 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -5.232 8.480 3.062 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -3.928 8.643 2.952 1.00 0.00 N ATOM 0 H HIS A 86 -5.924 4.437 3.800 1.00 0.00 H new ATOM 0 HA HIS A 86 -6.270 5.201 1.106 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.845 4.536 2.796 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.702 5.024 1.119 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.315 7.276 2.377 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.941 9.240 3.355 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.421 9.509 3.133 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.328 2.097 1.660 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.153 0.791 1.038 1.00 0.00 C ATOM 1427 C TYR A 87 -6.422 0.425 0.275 1.00 0.00 C ATOM 1428 O TYR A 87 -6.372 0.124 -0.916 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.830 -0.281 2.098 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.313 -1.593 1.521 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.150 -2.446 0.804 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -2.984 -1.977 1.689 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.680 -3.633 0.276 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.509 -3.164 1.159 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.361 -3.989 0.455 1.00 0.00 C ATOM 1436 OH TYR A 87 -2.893 -5.165 -0.085 1.00 0.00 O ATOM 0 H TYR A 87 -5.288 2.087 2.679 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.314 0.835 0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.086 0.118 2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.729 -0.482 2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.185 -2.174 0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.313 -1.337 2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.345 -4.281 -0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.475 -3.443 1.296 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.913 -5.159 -0.082 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.557 0.501 0.968 1.00 0.00 N ATOM 1447 CA GLU A 88 -8.860 0.156 0.391 1.00 0.00 C ATOM 1448 C GLU A 88 -9.120 0.908 -0.916 1.00 0.00 C ATOM 1449 O GLU A 88 -9.723 0.367 -1.846 1.00 0.00 O ATOM 1450 CB GLU A 88 -9.982 0.461 1.395 1.00 0.00 C ATOM 1451 CG GLU A 88 -9.892 -0.340 2.691 1.00 0.00 C ATOM 1452 CD GLU A 88 -10.994 0.019 3.678 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -12.134 -0.478 3.517 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -10.737 0.814 4.607 1.00 0.00 O ATOM 0 H GLU A 88 -7.602 0.802 1.942 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.847 -0.911 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.961 1.524 1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.943 0.260 0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.948 -1.404 2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.922 -0.165 3.156 1.00 0.00 H new ATOM 1461 N ARG A 89 -8.658 2.153 -0.984 1.00 0.00 N ATOM 1462 CA ARG A 89 -8.899 3.005 -2.148 1.00 0.00 C ATOM 1463 C ARG A 89 -7.870 2.772 -3.255 1.00 0.00 C ATOM 1464 O ARG A 89 -8.211 2.796 -4.440 1.00 0.00 O ATOM 1465 CB ARG A 89 -8.892 4.484 -1.729 1.00 0.00 C ATOM 1466 CG ARG A 89 -10.132 4.915 -0.945 1.00 0.00 C ATOM 1467 CD ARG A 89 -11.304 5.280 -1.859 1.00 0.00 C ATOM 1468 NE ARG A 89 -11.659 4.205 -2.795 1.00 0.00 N ATOM 1469 CZ ARG A 89 -12.857 3.624 -2.858 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -13.826 3.977 -2.025 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -13.088 2.686 -3.764 1.00 0.00 N ATOM 0 H ARG A 89 -8.113 2.597 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.878 2.741 -2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.007 4.675 -1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.806 5.103 -2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -10.434 4.109 -0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.883 5.772 -0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.173 5.523 -1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.051 6.177 -2.424 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.939 3.881 -3.441 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.659 4.701 -1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.738 3.525 -2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.350 2.410 -4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.004 2.240 -3.814 1.00 0.00 H new ATOM 1485 N ILE A 90 -6.616 2.551 -2.873 1.00 0.00 N ATOM 1486 CA ILE A 90 -5.519 2.501 -3.840 1.00 0.00 C ATOM 1487 C ILE A 90 -4.960 1.087 -4.018 1.00 0.00 C ATOM 1488 O ILE A 90 -4.932 0.555 -5.128 1.00 0.00 O ATOM 1489 CB ILE A 90 -4.364 3.447 -3.410 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -4.853 4.908 -3.340 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -3.170 3.321 -4.358 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -5.328 5.468 -4.667 1.00 0.00 C ATOM 0 H ILE A 90 -6.332 2.404 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.935 2.827 -4.793 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.037 3.147 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.667 4.973 -2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.043 5.533 -2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.376 3.994 -4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.803 2.295 -4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.479 3.585 -5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.655 6.499 -4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.511 5.438 -5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.160 4.870 -5.037 1.00 0.00 H new ATOM 1504 N VAL A 91 -4.528 0.479 -2.921 1.00 0.00 N ATOM 1505 CA VAL A 91 -3.734 -0.748 -2.990 1.00 0.00 C ATOM 1506 C VAL A 91 -4.612 -2.005 -2.942 1.00 0.00 C ATOM 1507 O VAL A 91 -4.144 -3.103 -3.233 1.00 0.00 O ATOM 1508 CB VAL A 91 -2.687 -0.792 -1.846 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.674 -1.918 -2.065 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -1.980 0.558 -1.706 1.00 0.00 C ATOM 0 H VAL A 91 -4.711 0.811 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.216 -0.737 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.216 -0.998 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.953 -1.923 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.195 -2.875 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.151 -1.759 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.250 0.504 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.471 0.801 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.714 1.332 -1.481 1.00 0.00 H new ATOM 1520 N TYR A 92 -5.887 -1.843 -2.602 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.795 -2.986 -2.476 1.00 0.00 C ATOM 1522 C TYR A 92 -6.962 -3.698 -3.829 1.00 0.00 C ATOM 1523 O TYR A 92 -6.920 -4.927 -3.890 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.158 -2.550 -1.902 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.848 -3.600 -1.036 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -8.291 -4.862 -0.836 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -10.054 -3.316 -0.404 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.919 -5.801 -0.040 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.684 -4.248 0.395 1.00 0.00 C ATOM 1530 CZ TYR A 92 -10.113 -5.489 0.574 1.00 0.00 C ATOM 1531 OH TYR A 92 -10.742 -6.421 1.367 1.00 0.00 O ATOM 0 H TYR A 92 -6.316 -0.938 -2.409 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.354 -3.695 -1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.016 -1.646 -1.310 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.819 -2.289 -2.729 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.353 -5.110 -1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.507 -2.345 -0.542 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.476 -6.776 0.101 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.619 -4.006 0.877 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.571 -6.040 1.724 1.00 0.00 H new ATOM 1541 N PRO A 93 -7.161 -2.949 -4.942 1.00 0.00 N ATOM 1542 CA PRO A 93 -7.125 -3.541 -6.287 1.00 0.00 C ATOM 1543 C PRO A 93 -5.765 -4.183 -6.570 1.00 0.00 C ATOM 1544 O PRO A 93 -5.673 -5.217 -7.238 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.366 -2.346 -7.224 1.00 0.00 C ATOM 1546 CG PRO A 93 -8.048 -1.328 -6.373 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.478 -1.504 -4.993 1.00 0.00 C ATOM 0 HA PRO A 93 -7.863 -4.334 -6.413 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.428 -1.962 -7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.985 -2.629 -8.075 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.866 -0.320 -6.746 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.128 -1.478 -6.373 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.589 -0.891 -4.843 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.195 -1.221 -4.222 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.711 -3.565 -6.034 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.352 -4.066 -6.201 1.00 0.00 C ATOM 1557 C TYR A 94 -3.145 -5.372 -5.436 1.00 0.00 C ATOM 1558 O TYR A 94 -2.293 -6.173 -5.812 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.313 -3.017 -5.773 1.00 0.00 C ATOM 1560 CG TYR A 94 -1.906 -2.089 -6.899 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -0.947 -2.486 -7.823 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -2.480 -0.830 -7.048 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -0.569 -1.661 -8.858 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -2.104 0.004 -8.084 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.148 -0.418 -8.984 1.00 0.00 C ATOM 1566 OH TYR A 94 -0.774 0.403 -10.023 1.00 0.00 O ATOM 0 H TYR A 94 -4.777 -2.712 -5.478 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.209 -4.269 -7.262 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.719 -2.426 -4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.428 -3.526 -5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.490 -3.460 -7.727 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.230 -0.500 -6.344 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.177 -1.987 -9.567 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.556 0.979 -8.188 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.551 1.291 -9.674 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.915 -5.584 -4.369 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.902 -6.867 -3.668 1.00 0.00 C ATOM 1578 C GLU A 95 -4.260 -7.977 -4.658 1.00 0.00 C ATOM 1579 O GLU A 95 -3.555 -8.978 -4.777 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.886 -6.857 -2.477 1.00 0.00 C ATOM 1581 CG GLU A 95 -5.038 -8.206 -1.768 1.00 0.00 C ATOM 1582 CD GLU A 95 -3.731 -8.733 -1.181 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -2.964 -9.382 -1.925 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -3.481 -8.517 0.027 1.00 0.00 O ATOM 0 H GLU A 95 -4.550 -4.891 -3.974 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.905 -7.046 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.551 -6.115 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.865 -6.536 -2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.773 -8.107 -0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.431 -8.937 -2.474 1.00 0.00 H new ATOM 1591 N MET A 96 -5.340 -7.763 -5.407 1.00 0.00 N ATOM 1592 CA MET A 96 -5.792 -8.732 -6.405 1.00 0.00 C ATOM 1593 C MET A 96 -4.849 -8.764 -7.606 1.00 0.00 C ATOM 1594 O MET A 96 -4.691 -9.799 -8.253 1.00 0.00 O ATOM 1595 CB MET A 96 -7.224 -8.416 -6.857 1.00 0.00 C ATOM 1596 CG MET A 96 -8.279 -8.537 -5.756 1.00 0.00 C ATOM 1597 SD MET A 96 -8.521 -10.232 -5.161 1.00 0.00 S ATOM 1598 CE MET A 96 -7.160 -10.435 -4.009 1.00 0.00 C ATOM 0 H MET A 96 -5.919 -6.926 -5.342 1.00 0.00 H new ATOM 0 HA MET A 96 -5.784 -9.718 -5.941 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.250 -7.402 -7.257 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.490 -9.088 -7.673 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.989 -7.905 -4.917 1.00 0.00 H new ATOM 0 HG3 MET A 96 -9.228 -8.154 -6.131 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.498 -11.225 -4.364 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.603 -9.501 -3.935 1.00 0.00 H new ATOM 0 HE3 MET A 96 -7.551 -10.703 -3.027 1.00 0.00 H new ATOM 1608 N TYR A 97 -4.228 -7.627 -7.900 1.00 0.00 N ATOM 1609 CA TYR A 97 -3.244 -7.542 -8.978 1.00 0.00 C ATOM 1610 C TYR A 97 -2.033 -8.427 -8.656 1.00 0.00 C ATOM 1611 O TYR A 97 -1.701 -9.353 -9.407 1.00 0.00 O ATOM 1612 CB TYR A 97 -2.812 -6.078 -9.186 1.00 0.00 C ATOM 1613 CG TYR A 97 -1.813 -5.862 -10.313 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -2.238 -5.701 -11.630 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.445 -5.812 -10.059 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -1.333 -5.501 -12.654 1.00 0.00 C ATOM 1617 CE2 TYR A 97 0.466 -5.612 -11.080 1.00 0.00 C ATOM 1618 CZ TYR A 97 0.016 -5.459 -12.376 1.00 0.00 C ATOM 1619 OH TYR A 97 0.918 -5.258 -13.398 1.00 0.00 O ATOM 0 H TYR A 97 -4.388 -6.749 -7.407 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.696 -7.901 -9.903 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.699 -5.477 -9.385 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.377 -5.707 -8.258 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.294 -5.733 -11.854 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.089 -5.932 -9.046 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.681 -5.378 -13.669 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.524 -5.576 -10.865 1.00 0.00 H new ATOM 0 HH TYR A 97 1.828 -5.254 -13.035 1.00 0.00 H new ATOM 1629 N GLN A 98 -1.405 -8.150 -7.514 1.00 0.00 N ATOM 1630 CA GLN A 98 -0.218 -8.878 -7.071 1.00 0.00 C ATOM 1631 C GLN A 98 -0.551 -10.346 -6.814 1.00 0.00 C ATOM 1632 O GLN A 98 0.196 -11.241 -7.224 1.00 0.00 O ATOM 1633 CB GLN A 98 0.360 -8.232 -5.800 1.00 0.00 C ATOM 1634 CG GLN A 98 1.618 -8.917 -5.265 1.00 0.00 C ATOM 1635 CD GLN A 98 2.766 -8.919 -6.266 1.00 0.00 C ATOM 1636 OE1 GLN A 98 3.575 -7.992 -6.307 1.00 0.00 O ATOM 1637 NE2 GLN A 98 2.849 -9.967 -7.072 1.00 0.00 N ATOM 0 H GLN A 98 -1.704 -7.416 -6.872 1.00 0.00 H new ATOM 0 HA GLN A 98 0.531 -8.829 -7.862 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.590 -7.187 -6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.404 -8.241 -5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.939 -8.414 -4.353 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.378 -9.945 -4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.159 -10.716 -7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.603 -10.025 -7.757 1.00 0.00 H new ATOM 1646 N SER A 99 -1.676 -10.592 -6.146 1.00 0.00 N ATOM 1647 CA SER A 99 -2.127 -11.955 -5.895 1.00 0.00 C ATOM 1648 C SER A 99 -2.384 -12.679 -7.216 1.00 0.00 C ATOM 1649 O SER A 99 -1.978 -13.825 -7.396 1.00 0.00 O ATOM 1650 CB SER A 99 -3.399 -11.961 -5.033 1.00 0.00 C ATOM 1651 OG SER A 99 -3.132 -11.516 -3.714 1.00 0.00 O ATOM 0 H SER A 99 -2.288 -9.867 -5.771 1.00 0.00 H new ATOM 0 HA SER A 99 -1.341 -12.479 -5.351 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.153 -11.319 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.814 -12.968 -5.002 1.00 0.00 H new ATOM 0 HG SER A 99 -3.196 -10.539 -3.679 1.00 0.00 H new ATOM 1657 N GLY A 100 -3.020 -11.988 -8.152 1.00 0.00 N ATOM 1658 CA GLY A 100 -3.309 -12.579 -9.446 1.00 0.00 C ATOM 1659 C GLY A 100 -2.045 -12.965 -10.187 1.00 0.00 C ATOM 1660 O GLY A 100 -2.002 -13.991 -10.872 1.00 0.00 O ATOM 0 H GLY A 100 -3.342 -11.027 -8.039 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.934 -13.462 -9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.881 -11.873 -10.048 1.00 0.00 H new ATOM 1664 N ALA A 101 -1.008 -12.147 -10.035 1.00 0.00 N ATOM 1665 CA ALA A 101 0.277 -12.395 -10.680 1.00 0.00 C ATOM 1666 C ALA A 101 1.049 -13.525 -9.989 1.00 0.00 C ATOM 1667 O ALA A 101 1.675 -14.356 -10.652 1.00 0.00 O ATOM 1668 CB ALA A 101 1.107 -11.115 -10.692 1.00 0.00 C ATOM 0 H ALA A 101 -1.034 -11.301 -9.466 1.00 0.00 H new ATOM 0 HA ALA A 101 0.084 -12.710 -11.705 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.065 -11.307 -11.175 1.00 0.00 H new ATOM 0 HB2 ALA A 101 0.573 -10.340 -11.241 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.277 -10.782 -9.668 1.00 0.00 H new ATOM 1674 N ASN A 102 0.990 -13.557 -8.658 1.00 0.00 N ATOM 1675 CA ASN A 102 1.789 -14.503 -7.866 1.00 0.00 C ATOM 1676 C ASN A 102 0.960 -15.713 -7.424 1.00 0.00 C ATOM 1677 O ASN A 102 1.244 -16.850 -7.816 1.00 0.00 O ATOM 1678 CB ASN A 102 2.365 -13.786 -6.635 1.00 0.00 C ATOM 1679 CG ASN A 102 3.175 -14.702 -5.727 1.00 0.00 C ATOM 1680 OD1 ASN A 102 3.790 -15.670 -6.180 1.00 0.00 O ATOM 1681 ND2 ASN A 102 3.184 -14.400 -4.434 1.00 0.00 N ATOM 0 H ASN A 102 0.398 -12.940 -8.102 1.00 0.00 H new ATOM 0 HA ASN A 102 2.600 -14.869 -8.495 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.998 -12.963 -6.966 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.547 -13.349 -6.062 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.712 -14.977 -3.779 1.00 0.00 H new ATOM 0 HD22 ASN A 102 2.663 -13.591 -4.096 1.00 0.00 H new ATOM 1688 N LEU A 103 -0.079 -15.455 -6.636 1.00 0.00 N ATOM 1689 CA LEU A 103 -0.943 -16.501 -6.089 1.00 0.00 C ATOM 1690 C LEU A 103 -2.163 -15.848 -5.448 1.00 0.00 C ATOM 1691 O LEU A 103 -2.031 -14.904 -4.670 1.00 0.00 O ATOM 1692 CB LEU A 103 -0.173 -17.405 -5.093 1.00 0.00 C ATOM 1693 CG LEU A 103 0.598 -16.696 -3.953 1.00 0.00 C ATOM 1694 CD1 LEU A 103 -0.311 -16.372 -2.768 1.00 0.00 C ATOM 1695 CD2 LEU A 103 1.785 -17.547 -3.500 1.00 0.00 C ATOM 0 H LEU A 103 -0.348 -14.512 -6.357 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.279 -17.155 -6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.885 -18.096 -4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.538 -18.006 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 103 0.971 -15.751 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.269 -15.875 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.116 -15.715 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.735 -17.295 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.316 -17.034 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.425 -18.510 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.461 -17.705 -4.340 1.00 0.00 H new ATOM 1707 N VAL A 104 -3.353 -16.309 -5.812 1.00 0.00 N ATOM 1708 CA VAL A 104 -4.577 -15.632 -5.409 1.00 0.00 C ATOM 1709 C VAL A 104 -5.368 -16.440 -4.378 1.00 0.00 C ATOM 1710 O VAL A 104 -6.025 -17.435 -4.691 1.00 0.00 O ATOM 1711 CB VAL A 104 -5.463 -15.282 -6.637 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -5.859 -16.532 -7.422 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -6.692 -14.486 -6.199 1.00 0.00 C ATOM 0 H VAL A 104 -3.496 -17.143 -6.382 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.278 -14.699 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.874 -14.658 -7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.478 -16.247 -8.273 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.961 -17.037 -7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.421 -17.205 -6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -7.302 -14.249 -7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.278 -15.079 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -6.374 -13.562 -5.717 1.00 0.00 H new ATOM 1723 N CYS A 105 -5.258 -16.015 -3.129 1.00 0.00 N ATOM 1724 CA CYS A 105 -6.058 -16.558 -2.038 1.00 0.00 C ATOM 1725 C CYS A 105 -6.712 -15.417 -1.267 1.00 0.00 C ATOM 1726 O CYS A 105 -7.671 -15.614 -0.519 1.00 0.00 O ATOM 1727 CB CYS A 105 -5.168 -17.384 -1.104 1.00 0.00 C ATOM 1728 SG CYS A 105 -3.697 -16.500 -0.531 1.00 0.00 S ATOM 0 H CYS A 105 -4.610 -15.282 -2.841 1.00 0.00 H new ATOM 0 HA CYS A 105 -6.836 -17.204 -2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.754 -17.695 -0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.857 -18.292 -1.621 1.00 0.00 H new ATOM 0 HG CYS A 105 -4.030 -15.300 -0.158 1.00 0.00 H new ATOM 1734 N ASN A 106 -6.207 -14.209 -1.501 1.00 0.00 N ATOM 1735 CA ASN A 106 -6.578 -13.033 -0.717 1.00 0.00 C ATOM 1736 C ASN A 106 -7.916 -12.445 -1.168 1.00 0.00 C ATOM 1737 O ASN A 106 -8.379 -11.451 -0.614 1.00 0.00 O ATOM 1738 CB ASN A 106 -5.465 -11.981 -0.814 1.00 0.00 C ATOM 1739 CG ASN A 106 -4.122 -12.524 -0.351 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -4.057 -13.384 0.530 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -3.048 -12.052 -0.958 1.00 0.00 N ATOM 0 H ASN A 106 -5.529 -14.017 -2.239 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.699 -13.341 0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.381 -11.637 -1.845 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.733 -11.114 -0.210 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.124 -12.399 -0.702 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.143 -11.340 -1.682 1.00 0.00 H new ATOM 1748 N THR A 107 -8.542 -13.075 -2.157 1.00 0.00 N ATOM 1749 CA THR A 107 -9.848 -12.637 -2.647 1.00 0.00 C ATOM 1750 C THR A 107 -10.951 -12.981 -1.639 1.00 0.00 C ATOM 1751 O THR A 107 -12.000 -12.334 -1.597 1.00 0.00 O ATOM 1752 CB THR A 107 -10.170 -13.296 -4.005 1.00 0.00 C ATOM 1753 OG1 THR A 107 -9.054 -13.136 -4.886 1.00 0.00 O ATOM 1754 CG2 THR A 107 -11.413 -12.680 -4.644 1.00 0.00 C ATOM 0 H THR A 107 -8.166 -13.893 -2.637 1.00 0.00 H new ATOM 0 HA THR A 107 -9.809 -11.555 -2.775 1.00 0.00 H new ATOM 0 HB THR A 107 -10.366 -14.354 -3.832 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.086 -12.247 -5.297 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.611 -13.167 -5.599 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.268 -12.817 -3.982 1.00 0.00 H new ATOM 0 HG23 THR A 107 -11.248 -11.615 -4.808 1.00 0.00 H new ATOM 1762 N ARG A 108 -10.694 -13.997 -0.820 1.00 0.00 N ATOM 1763 CA ARG A 108 -11.668 -14.470 0.165 1.00 0.00 C ATOM 1764 C ARG A 108 -11.680 -13.572 1.416 1.00 0.00 C ATOM 1765 O ARG A 108 -12.753 -13.212 1.902 1.00 0.00 O ATOM 1766 CB ARG A 108 -11.374 -15.937 0.526 1.00 0.00 C ATOM 1767 CG ARG A 108 -11.465 -16.877 -0.676 1.00 0.00 C ATOM 1768 CD ARG A 108 -10.937 -18.273 -0.364 1.00 0.00 C ATOM 1769 NE ARG A 108 -11.619 -18.880 0.778 1.00 0.00 N ATOM 1770 CZ ARG A 108 -12.454 -19.916 0.696 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -12.780 -20.433 -0.486 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -12.975 -20.424 1.803 1.00 0.00 N ATOM 0 H ARG A 108 -9.814 -14.513 -0.818 1.00 0.00 H new ATOM 0 HA ARG A 108 -12.664 -14.415 -0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.376 -16.006 0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.077 -16.265 1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.503 -16.948 -1.000 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.900 -16.455 -1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.061 -18.910 -1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.868 -18.218 -0.159 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.444 -18.483 1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.390 -20.037 -1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.420 -21.226 -0.537 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -12.737 -20.022 2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.615 -21.217 1.749 1.00 0.00 H new ATOM 1786 N PRO A 109 -10.494 -13.217 1.977 1.00 0.00 N ATOM 1787 CA PRO A 109 -10.373 -12.229 3.063 1.00 0.00 C ATOM 1788 C PRO A 109 -11.299 -11.015 2.922 1.00 0.00 C ATOM 1789 O PRO A 109 -11.741 -10.456 3.924 1.00 0.00 O ATOM 1790 CB PRO A 109 -8.912 -11.802 2.947 1.00 0.00 C ATOM 1791 CG PRO A 109 -8.209 -13.051 2.552 1.00 0.00 C ATOM 1792 CD PRO A 109 -9.170 -13.805 1.661 1.00 0.00 C ATOM 0 HA PRO A 109 -10.661 -12.655 4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.782 -11.017 2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.533 -11.411 3.891 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.282 -12.827 2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -7.943 -13.643 3.428 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -8.919 -13.679 0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.149 -14.875 1.868 1.00 0.00 H new ATOM 1800 N PHE A 110 -11.584 -10.615 1.681 1.00 0.00 N ATOM 1801 CA PHE A 110 -12.503 -9.499 1.416 1.00 0.00 C ATOM 1802 C PHE A 110 -13.775 -9.633 2.254 1.00 0.00 C ATOM 1803 O PHE A 110 -14.218 -8.676 2.898 1.00 0.00 O ATOM 1804 CB PHE A 110 -12.882 -9.442 -0.077 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.850 -8.793 -0.971 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -10.602 -9.369 -1.162 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -12.138 -7.602 -1.629 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -9.666 -8.773 -1.987 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -11.206 -7.004 -2.455 1.00 0.00 C ATOM 1810 CZ PHE A 110 -9.969 -7.591 -2.636 1.00 0.00 C ATOM 0 H PHE A 110 -11.194 -11.045 0.842 1.00 0.00 H new ATOM 0 HA PHE A 110 -11.988 -8.578 1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -13.061 -10.457 -0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -13.822 -8.899 -0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -10.359 -10.294 -0.660 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -13.104 -7.138 -1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -8.698 -9.231 -2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -11.444 -6.079 -2.959 1.00 0.00 H new ATOM 0 HZ PHE A 110 -9.240 -7.127 -3.284 1.00 0.00 H new ATOM 1820 N ASP A 111 -14.337 -10.836 2.253 1.00 0.00 N ATOM 1821 CA ASP A 111 -15.578 -11.119 2.964 1.00 0.00 C ATOM 1822 C ASP A 111 -15.419 -10.897 4.467 1.00 0.00 C ATOM 1823 O ASP A 111 -16.086 -10.045 5.052 1.00 0.00 O ATOM 1824 CB ASP A 111 -16.020 -12.565 2.697 1.00 0.00 C ATOM 1825 CG ASP A 111 -16.394 -12.818 1.243 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -15.481 -12.969 0.403 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -17.604 -12.868 0.930 1.00 0.00 O ATOM 0 H ASP A 111 -13.947 -11.640 1.761 1.00 0.00 H new ATOM 0 HA ASP A 111 -16.340 -10.432 2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.215 -13.243 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.874 -12.800 3.332 1.00 0.00 H new ATOM 1832 N ASN A 112 -14.513 -11.654 5.073 1.00 0.00 N ATOM 1833 CA ASN A 112 -14.338 -11.654 6.529 1.00 0.00 C ATOM 1834 C ASN A 112 -13.879 -10.282 7.030 1.00 0.00 C ATOM 1835 O ASN A 112 -14.427 -9.746 7.994 1.00 0.00 O ATOM 1836 CB ASN A 112 -13.318 -12.729 6.938 1.00 0.00 C ATOM 1837 CG ASN A 112 -13.237 -12.951 8.445 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -13.548 -12.068 9.247 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -12.795 -14.133 8.843 1.00 0.00 N ATOM 0 H ASN A 112 -13.881 -12.283 4.578 1.00 0.00 H new ATOM 0 HA ASN A 112 -15.302 -11.879 6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.580 -13.670 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -12.333 -12.444 6.568 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -12.704 -14.334 9.839 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -12.546 -14.843 8.154 1.00 0.00 H new ATOM 1846 N GLU A 113 -12.878 -9.722 6.367 1.00 0.00 N ATOM 1847 CA GLU A 113 -12.295 -8.447 6.774 1.00 0.00 C ATOM 1848 C GLU A 113 -13.269 -7.291 6.568 1.00 0.00 C ATOM 1849 O GLU A 113 -13.614 -6.583 7.517 1.00 0.00 O ATOM 1850 CB GLU A 113 -10.990 -8.190 6.006 1.00 0.00 C ATOM 1851 CG GLU A 113 -10.330 -6.845 6.311 1.00 0.00 C ATOM 1852 CD GLU A 113 -10.110 -6.613 7.801 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -9.394 -7.418 8.435 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -10.641 -5.616 8.338 1.00 0.00 O ATOM 0 H GLU A 113 -12.448 -10.133 5.538 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.076 -8.507 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.284 -8.988 6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.195 -8.246 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.371 -6.792 5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.951 -6.043 5.912 1.00 0.00 H new