USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 837 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 11 LYS NZ :NH3+ 166:sc= 0.524 (180deg=0.424) USER MOD Set 1.2: A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 3 LYS NZ :NH3+ 152:sc= -0.0928 (180deg=-0.654) USER MOD Set 2.2: A 38 GLN : amide:sc= -0.214 X(o=-0.31,f=-0.68) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 13 GLN : amide:sc= -0.642 K(o=-0.64,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.185 K(o=-0.18,f=-2.1!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 144:sc= 0.359 (180deg=-0.915) USER MOD Single : A 28 SER OG : rot 79:sc= 0.181 USER MOD Single : A 29 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.2) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.74 USER MOD Single : A 35 ASN : amide:sc= -0.386 K(o=-0.39,f=-1.1!) USER MOD Single : A 39 CYS SG : rot 70:sc= -6.27! USER MOD Single : A 44 ASN : amide:sc= -10.4! C(o=-10!,f=-2.2!) USER MOD Single : A 45 ASN : amide:sc= -2.99! X(o=-3!,f=-2.8) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4.44 K(o=-4.4,f=-1.3) USER MOD Single : A 53 THR OG1 : rot -25:sc= 0.297! USER MOD Single : A 57 SER OG : rot 180:sc= -0.419 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.2) USER MOD Single : A 67 LYS NZ :NH3+ -153:sc= -0.12 (180deg=-0.922) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 138:sc= -0.0411 (180deg=-0.63) USER MOD Single : A 76 ASN : amide:sc= -1.47 K(o=-1.5,f=-9.8!) USER MOD Single : A 77 LYS NZ :NH3+ 144:sc= -0.151 (180deg=-1.13) USER MOD Single : A 79 SER OG : rot -91:sc= 0.431 USER MOD Single : A 80 LYS NZ :NH3+ -117:sc= -1.36 (180deg=-1.88) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -4.78! K(o=-4.8!,f=-1.7) USER MOD Single : A 86 SER OG : rot 150:sc= -0.638 USER MOD Single : A 88 ASN : amide:sc= -0.0113 K(o=-0.011,f=-0.69) USER MOD Single : A 89 ASN : amide:sc= -8.47! C(o=-8.5!,f=-13!) USER MOD Single : A 92 ASN : amide:sc= -0.528 K(o=-0.53,f=-2.5!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 3 -6.771 8.557 -1.551 1.00 0.00 N ATOM 42 CA LYS A 3 -7.808 9.565 -1.193 1.00 0.00 C ATOM 43 C LYS A 3 -8.380 9.274 0.198 1.00 0.00 C ATOM 44 O LYS A 3 -8.464 10.151 1.035 1.00 0.00 O ATOM 45 CB LYS A 3 -8.938 9.517 -2.225 1.00 0.00 C ATOM 46 CG LYS A 3 -8.414 9.998 -3.579 1.00 0.00 C ATOM 47 CD LYS A 3 -9.539 9.936 -4.613 1.00 0.00 C ATOM 48 CE LYS A 3 -9.081 10.610 -5.908 1.00 0.00 C ATOM 49 NZ LYS A 3 -7.733 10.097 -6.285 1.00 0.00 N ATOM 0 HA LYS A 3 -7.350 10.554 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.322 8.501 -2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.768 10.145 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.039 11.018 -3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.577 9.377 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.812 8.899 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.429 10.433 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.795 10.410 -6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.046 11.691 -5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.617 10.151 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.001 10.674 -5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.639 9.108 -5.977 1.00 0.00 H new ATOM 63 N PHE A 4 -8.788 8.057 0.455 1.00 0.00 N ATOM 64 CA PHE A 4 -9.367 7.732 1.795 1.00 0.00 C ATOM 65 C PHE A 4 -8.248 7.529 2.822 1.00 0.00 C ATOM 66 O PHE A 4 -7.103 7.315 2.481 1.00 0.00 O ATOM 67 CB PHE A 4 -10.252 6.484 1.715 1.00 0.00 C ATOM 68 CG PHE A 4 -9.585 5.387 0.924 1.00 0.00 C ATOM 69 CD1 PHE A 4 -9.735 5.357 -0.461 1.00 0.00 C ATOM 70 CD2 PHE A 4 -8.845 4.387 1.573 1.00 0.00 C ATOM 71 CE1 PHE A 4 -9.148 4.336 -1.210 1.00 0.00 C ATOM 72 CE2 PHE A 4 -8.259 3.359 0.824 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.411 3.336 -0.572 1.00 0.00 C ATOM 0 H PHE A 4 -8.746 7.277 -0.201 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.987 8.570 2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.472 6.127 2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -11.205 6.741 1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -10.308 6.127 -0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.728 4.410 2.646 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.264 4.319 -2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.691 2.585 1.319 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.958 2.545 -1.152 1.00 0.00 H new ATOM 83 N THR A 5 -8.579 7.622 4.088 1.00 0.00 N ATOM 84 CA THR A 5 -7.551 7.464 5.162 1.00 0.00 C ATOM 85 C THR A 5 -7.404 5.998 5.544 1.00 0.00 C ATOM 86 O THR A 5 -8.258 5.176 5.280 1.00 0.00 O ATOM 87 CB THR A 5 -7.953 8.259 6.401 1.00 0.00 C ATOM 88 OG1 THR A 5 -7.088 7.923 7.476 1.00 0.00 O ATOM 89 CG2 THR A 5 -9.392 7.925 6.781 1.00 0.00 C ATOM 0 H THR A 5 -9.525 7.802 4.424 1.00 0.00 H new ATOM 0 HA THR A 5 -6.601 7.838 4.779 1.00 0.00 H new ATOM 0 HB THR A 5 -7.876 9.325 6.189 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.343 8.434 8.273 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.676 8.494 7.666 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.055 8.183 5.955 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.474 6.859 6.993 1.00 0.00 H new ATOM 97 N GLU A 6 -6.316 5.675 6.166 1.00 0.00 N ATOM 98 CA GLU A 6 -6.070 4.267 6.588 1.00 0.00 C ATOM 99 C GLU A 6 -7.305 3.712 7.305 1.00 0.00 C ATOM 100 O GLU A 6 -7.701 2.590 7.086 1.00 0.00 O ATOM 101 CB GLU A 6 -4.870 4.221 7.535 1.00 0.00 C ATOM 102 CG GLU A 6 -3.610 4.661 6.785 1.00 0.00 C ATOM 103 CD GLU A 6 -2.419 4.665 7.745 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.296 5.615 8.501 1.00 0.00 O ATOM 105 OE2 GLU A 6 -1.651 3.717 7.708 1.00 0.00 O ATOM 0 H GLU A 6 -5.573 6.331 6.406 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.865 3.661 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.043 4.874 8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.740 3.212 7.925 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.416 3.986 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.754 5.656 6.363 1.00 0.00 H new ATOM 112 N GLU A 7 -7.918 4.489 8.160 1.00 0.00 N ATOM 113 CA GLU A 7 -9.125 3.993 8.892 1.00 0.00 C ATOM 114 C GLU A 7 -10.117 3.368 7.902 1.00 0.00 C ATOM 115 O GLU A 7 -10.752 2.362 8.178 1.00 0.00 O ATOM 116 CB GLU A 7 -9.800 5.161 9.617 1.00 0.00 C ATOM 117 CG GLU A 7 -8.788 5.851 10.533 1.00 0.00 C ATOM 118 CD GLU A 7 -8.361 4.887 11.642 1.00 0.00 C ATOM 119 OE1 GLU A 7 -9.222 4.203 12.169 1.00 0.00 O ATOM 120 OE2 GLU A 7 -7.179 4.850 11.945 1.00 0.00 O ATOM 0 H GLU A 7 -7.637 5.444 8.384 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.817 3.240 9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.194 5.873 8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.646 4.799 10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.918 6.168 9.958 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.228 6.749 10.967 1.00 0.00 H new ATOM 127 N GLU A 8 -10.252 3.941 6.740 1.00 0.00 N ATOM 128 CA GLU A 8 -11.190 3.366 5.752 1.00 0.00 C ATOM 129 C GLU A 8 -10.615 2.045 5.255 1.00 0.00 C ATOM 130 O GLU A 8 -11.307 1.054 5.168 1.00 0.00 O ATOM 131 CB GLU A 8 -11.344 4.340 4.596 1.00 0.00 C ATOM 132 CG GLU A 8 -12.208 5.533 5.034 1.00 0.00 C ATOM 133 CD GLU A 8 -13.664 5.086 5.178 1.00 0.00 C ATOM 134 OE1 GLU A 8 -14.135 4.380 4.302 1.00 0.00 O ATOM 135 OE2 GLU A 8 -14.283 5.457 6.163 1.00 0.00 O ATOM 0 H GLU A 8 -9.754 4.778 6.437 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.167 3.191 6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.364 4.689 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.804 3.839 3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.844 5.931 5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.134 6.337 4.301 1.00 0.00 H new ATOM 142 N ASP A 9 -9.340 2.017 4.943 1.00 0.00 N ATOM 143 CA ASP A 9 -8.709 0.743 4.466 1.00 0.00 C ATOM 144 C ASP A 9 -9.134 -0.405 5.386 1.00 0.00 C ATOM 145 O ASP A 9 -9.227 -1.550 4.983 1.00 0.00 O ATOM 146 CB ASP A 9 -7.185 0.876 4.494 1.00 0.00 C ATOM 147 CG ASP A 9 -6.554 -0.434 4.022 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.638 -1.407 4.753 1.00 0.00 O ATOM 149 OD2 ASP A 9 -5.999 -0.441 2.939 1.00 0.00 O ATOM 0 H ASP A 9 -8.711 2.818 4.998 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.033 0.540 3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.868 1.698 3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.848 1.112 5.503 1.00 0.00 H new ATOM 154 N LEU A 10 -9.426 -0.098 6.618 1.00 0.00 N ATOM 155 CA LEU A 10 -9.883 -1.157 7.556 1.00 0.00 C ATOM 156 C LEU A 10 -11.320 -1.506 7.174 1.00 0.00 C ATOM 157 O LEU A 10 -11.716 -2.658 7.140 1.00 0.00 O ATOM 158 CB LEU A 10 -9.821 -0.643 9.009 1.00 0.00 C ATOM 159 CG LEU A 10 -8.614 0.281 9.182 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.506 0.716 10.642 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.332 -0.450 8.765 1.00 0.00 C ATOM 0 H LEU A 10 -9.368 0.840 7.015 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.244 -2.037 7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.738 -0.108 9.254 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.748 -1.484 9.699 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.744 1.160 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.646 1.374 10.763 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.413 1.247 10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.383 -0.163 11.275 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.477 0.214 8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.199 -1.335 9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.408 -0.750 7.720 1.00 0.00 H new ATOM 173 N LYS A 11 -12.100 -0.506 6.854 1.00 0.00 N ATOM 174 CA LYS A 11 -13.500 -0.778 6.441 1.00 0.00 C ATOM 175 C LYS A 11 -13.465 -1.667 5.201 1.00 0.00 C ATOM 176 O LYS A 11 -14.264 -2.565 5.050 1.00 0.00 O ATOM 177 CB LYS A 11 -14.221 0.535 6.123 1.00 0.00 C ATOM 178 CG LYS A 11 -14.331 1.379 7.395 1.00 0.00 C ATOM 179 CD LYS A 11 -15.276 2.559 7.148 1.00 0.00 C ATOM 180 CE LYS A 11 -15.187 3.540 8.320 1.00 0.00 C ATOM 181 NZ LYS A 11 -16.185 4.631 8.130 1.00 0.00 N ATOM 0 H LYS A 11 -11.827 0.477 6.862 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.038 -1.276 7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.676 1.085 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.214 0.329 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.703 0.768 8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.346 1.744 7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.011 3.062 6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.300 2.201 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.375 3.020 9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.182 3.958 8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.296 5.159 9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.856 5.276 7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.100 4.220 7.855 1.00 0.00 H new ATOM 195 N LEU A 12 -12.527 -1.440 4.315 1.00 0.00 N ATOM 196 CA LEU A 12 -12.435 -2.293 3.100 1.00 0.00 C ATOM 197 C LEU A 12 -12.333 -3.753 3.540 1.00 0.00 C ATOM 198 O LEU A 12 -13.015 -4.608 3.037 1.00 0.00 O ATOM 199 CB LEU A 12 -11.185 -1.908 2.283 1.00 0.00 C ATOM 200 CG LEU A 12 -11.504 -0.772 1.306 1.00 0.00 C ATOM 201 CD1 LEU A 12 -12.011 0.445 2.078 1.00 0.00 C ATOM 202 CD2 LEU A 12 -10.231 -0.398 0.545 1.00 0.00 C ATOM 0 H LEU A 12 -11.825 -0.703 4.384 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.318 -2.150 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.385 -1.601 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.823 -2.776 1.733 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.273 -1.097 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.237 1.251 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.914 0.177 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.245 0.776 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.449 0.410 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.467 -0.072 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.868 -1.266 -0.006 1.00 0.00 H new ATOM 214 N GLN A 13 -11.490 -4.052 4.485 1.00 0.00 N ATOM 215 CA GLN A 13 -11.373 -5.472 4.923 1.00 0.00 C ATOM 216 C GLN A 13 -12.767 -6.003 5.279 1.00 0.00 C ATOM 217 O GLN A 13 -13.092 -7.145 5.020 1.00 0.00 O ATOM 218 CB GLN A 13 -10.468 -5.546 6.157 1.00 0.00 C ATOM 219 CG GLN A 13 -10.223 -7.010 6.542 1.00 0.00 C ATOM 220 CD GLN A 13 -9.376 -7.062 7.813 1.00 0.00 C ATOM 221 OE1 GLN A 13 -8.485 -7.879 7.930 1.00 0.00 O ATOM 222 NE2 GLN A 13 -9.621 -6.218 8.778 1.00 0.00 N ATOM 0 H GLN A 13 -10.885 -3.388 4.968 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.945 -6.074 4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.518 -5.052 5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.930 -5.015 6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.173 -7.520 6.703 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.715 -7.531 5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.370 -5.532 8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.064 -6.244 9.632 1.00 0.00 H new ATOM 231 N GLN A 14 -13.598 -5.184 5.861 1.00 0.00 N ATOM 232 CA GLN A 14 -14.973 -5.653 6.231 1.00 0.00 C ATOM 233 C GLN A 14 -15.910 -5.644 5.015 1.00 0.00 C ATOM 234 O GLN A 14 -16.525 -6.640 4.688 1.00 0.00 O ATOM 235 CB GLN A 14 -15.555 -4.725 7.287 1.00 0.00 C ATOM 236 CG GLN A 14 -14.620 -4.667 8.498 1.00 0.00 C ATOM 237 CD GLN A 14 -14.584 -6.034 9.183 1.00 0.00 C ATOM 238 OE1 GLN A 14 -15.466 -6.848 8.990 1.00 0.00 O ATOM 239 NE2 GLN A 14 -13.592 -6.325 9.980 1.00 0.00 N ATOM 0 H GLN A 14 -13.391 -4.214 6.098 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.890 -6.672 6.609 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.690 -3.726 6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.540 -5.079 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.617 -4.380 8.182 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.963 -3.906 9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.851 -5.643 10.143 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.557 -7.235 10.440 1.00 0.00 H new ATOM 248 N LEU A 15 -16.048 -4.528 4.357 1.00 0.00 N ATOM 249 CA LEU A 15 -16.965 -4.464 3.183 1.00 0.00 C ATOM 250 C LEU A 15 -16.468 -5.437 2.114 1.00 0.00 C ATOM 251 O LEU A 15 -17.198 -6.286 1.641 1.00 0.00 O ATOM 252 CB LEU A 15 -16.982 -3.026 2.625 1.00 0.00 C ATOM 253 CG LEU A 15 -17.974 -2.163 3.417 1.00 0.00 C ATOM 254 CD1 LEU A 15 -17.614 -2.189 4.905 1.00 0.00 C ATOM 255 CD2 LEU A 15 -17.913 -0.721 2.904 1.00 0.00 C ATOM 0 H LEU A 15 -15.566 -3.657 4.580 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.977 -4.739 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.983 -2.593 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.261 -3.040 1.571 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.981 -2.559 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.322 -1.575 5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.657 -3.215 5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.606 -1.796 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.617 -0.105 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -16.904 -0.330 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.175 -0.700 1.846 1.00 0.00 H new ATOM 267 N VAL A 16 -15.229 -5.325 1.740 1.00 0.00 N ATOM 268 CA VAL A 16 -14.677 -6.240 0.711 1.00 0.00 C ATOM 269 C VAL A 16 -14.867 -7.681 1.181 1.00 0.00 C ATOM 270 O VAL A 16 -15.051 -8.579 0.384 1.00 0.00 O ATOM 271 CB VAL A 16 -13.188 -5.950 0.500 1.00 0.00 C ATOM 272 CG1 VAL A 16 -12.669 -6.786 -0.670 1.00 0.00 C ATOM 273 CG2 VAL A 16 -12.992 -4.460 0.184 1.00 0.00 C ATOM 0 H VAL A 16 -14.572 -4.636 2.105 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.198 -6.090 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.639 -6.205 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.609 -6.581 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.806 -7.845 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.221 -6.529 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.932 -4.256 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.542 -4.205 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.363 -3.860 1.015 1.00 0.00 H new ATOM 283 N MET A 17 -14.846 -7.918 2.469 1.00 0.00 N ATOM 284 CA MET A 17 -15.053 -9.303 2.955 1.00 0.00 C ATOM 285 C MET A 17 -16.520 -9.678 2.708 1.00 0.00 C ATOM 286 O MET A 17 -16.847 -10.823 2.466 1.00 0.00 O ATOM 287 CB MET A 17 -14.700 -9.362 4.451 1.00 0.00 C ATOM 288 CG MET A 17 -15.312 -10.599 5.112 1.00 0.00 C ATOM 289 SD MET A 17 -14.983 -12.062 4.097 1.00 0.00 S ATOM 290 CE MET A 17 -15.675 -13.287 5.235 1.00 0.00 C ATOM 0 H MET A 17 -14.696 -7.216 3.193 1.00 0.00 H new ATOM 0 HA MET A 17 -14.414 -10.012 2.429 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.617 -9.379 4.572 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.062 -8.463 4.949 1.00 0.00 H new ATOM 0 HG2 MET A 17 -14.893 -10.735 6.109 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.387 -10.464 5.234 1.00 0.00 H new ATOM 0 HE1 MET A 17 -15.576 -14.282 4.802 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.137 -13.248 6.182 1.00 0.00 H new ATOM 0 HE3 MET A 17 -16.729 -13.069 5.407 1.00 0.00 H new ATOM 300 N ARG A 18 -17.406 -8.715 2.760 1.00 0.00 N ATOM 301 CA ARG A 18 -18.849 -9.009 2.519 1.00 0.00 C ATOM 302 C ARG A 18 -19.102 -9.111 1.012 1.00 0.00 C ATOM 303 O ARG A 18 -19.902 -9.905 0.559 1.00 0.00 O ATOM 304 CB ARG A 18 -19.703 -7.882 3.103 1.00 0.00 C ATOM 305 CG ARG A 18 -21.180 -8.280 3.050 1.00 0.00 C ATOM 306 CD ARG A 18 -22.021 -7.212 3.750 1.00 0.00 C ATOM 307 NE ARG A 18 -21.547 -7.044 5.153 1.00 0.00 N ATOM 308 CZ ARG A 18 -22.031 -6.088 5.898 1.00 0.00 C ATOM 309 NH1 ARG A 18 -22.932 -5.277 5.414 1.00 0.00 N ATOM 310 NH2 ARG A 18 -21.616 -5.944 7.126 1.00 0.00 N ATOM 0 H ARG A 18 -17.191 -7.738 2.959 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.114 -9.952 2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.406 -7.683 4.133 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.543 -6.962 2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.501 -8.390 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.325 -9.246 3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -21.945 -6.266 3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -23.072 -7.500 3.742 1.00 0.00 H new ATOM 0 HE ARG A 18 -20.843 -7.677 5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -23.257 -5.391 4.454 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -23.311 -4.530 5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -20.913 -6.579 7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -21.995 -5.197 7.708 1.00 0.00 H new ATOM 324 N TYR A 19 -18.422 -8.311 0.228 1.00 0.00 N ATOM 325 CA TYR A 19 -18.611 -8.354 -1.256 1.00 0.00 C ATOM 326 C TYR A 19 -17.563 -9.285 -1.865 1.00 0.00 C ATOM 327 O TYR A 19 -17.586 -9.581 -3.043 1.00 0.00 O ATOM 328 CB TYR A 19 -18.432 -6.946 -1.831 1.00 0.00 C ATOM 329 CG TYR A 19 -19.418 -6.004 -1.170 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.789 -6.156 -1.410 1.00 0.00 C ATOM 331 CD2 TYR A 19 -18.968 -4.988 -0.312 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.708 -5.298 -0.796 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.889 -4.132 0.302 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.258 -4.286 0.061 1.00 0.00 C ATOM 335 OH TYR A 19 -22.165 -3.442 0.667 1.00 0.00 O ATOM 0 H TYR A 19 -17.740 -7.626 0.554 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.611 -8.719 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.412 -6.599 -1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.591 -6.959 -2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.138 -6.937 -2.070 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.911 -4.867 -0.126 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.765 -5.416 -0.983 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.542 -3.351 0.963 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.687 -2.798 1.230 1.00 0.00 H new ATOM 345 N GLY A 20 -16.639 -9.742 -1.066 1.00 0.00 N ATOM 346 CA GLY A 20 -15.573 -10.648 -1.579 1.00 0.00 C ATOM 347 C GLY A 20 -14.490 -9.808 -2.250 1.00 0.00 C ATOM 348 O GLY A 20 -13.386 -9.710 -1.760 1.00 0.00 O ATOM 0 H GLY A 20 -16.576 -9.525 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.147 -11.229 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.993 -11.359 -2.290 1.00 0.00 H new ATOM 352 N ALA A 21 -14.825 -9.198 -3.363 1.00 0.00 N ATOM 353 CA ALA A 21 -13.860 -8.332 -4.126 1.00 0.00 C ATOM 354 C ALA A 21 -14.309 -8.284 -5.596 1.00 0.00 C ATOM 355 O ALA A 21 -13.535 -8.522 -6.503 1.00 0.00 O ATOM 356 CB ALA A 21 -12.425 -8.897 -4.036 1.00 0.00 C ATOM 0 H ALA A 21 -15.750 -9.265 -3.787 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.855 -7.330 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.745 -8.254 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.113 -8.934 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.403 -9.902 -4.457 1.00 0.00 H new ATOM 362 N LYS A 22 -15.562 -7.992 -5.844 1.00 0.00 N ATOM 363 CA LYS A 22 -16.058 -7.945 -7.261 1.00 0.00 C ATOM 364 C LYS A 22 -17.180 -6.908 -7.425 1.00 0.00 C ATOM 365 O LYS A 22 -17.523 -6.543 -8.532 1.00 0.00 O ATOM 366 CB LYS A 22 -16.589 -9.326 -7.649 1.00 0.00 C ATOM 367 CG LYS A 22 -17.755 -9.704 -6.734 1.00 0.00 C ATOM 368 CD LYS A 22 -18.120 -11.174 -6.951 1.00 0.00 C ATOM 369 CE LYS A 22 -19.319 -11.538 -6.074 1.00 0.00 C ATOM 370 NZ LYS A 22 -20.471 -10.655 -6.414 1.00 0.00 N ATOM 0 H LYS A 22 -16.263 -7.785 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.229 -7.657 -7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.916 -9.322 -8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.795 -10.068 -7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.482 -9.536 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.616 -9.070 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.357 -11.350 -8.000 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.270 -11.811 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.591 -12.583 -6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.060 -11.426 -5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.356 -11.196 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.501 -9.853 -5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.360 -10.298 -7.385 1.00 0.00 H new ATOM 384 N ASP A 23 -17.752 -6.422 -6.344 1.00 0.00 N ATOM 385 CA ASP A 23 -18.846 -5.399 -6.444 1.00 0.00 C ATOM 386 C ASP A 23 -18.295 -4.052 -5.981 1.00 0.00 C ATOM 387 O ASP A 23 -18.885 -3.368 -5.170 1.00 0.00 O ATOM 388 CB ASP A 23 -20.013 -5.813 -5.542 1.00 0.00 C ATOM 389 CG ASP A 23 -20.337 -7.291 -5.774 1.00 0.00 C ATOM 390 OD1 ASP A 23 -20.995 -7.586 -6.758 1.00 0.00 O ATOM 391 OD2 ASP A 23 -19.920 -8.103 -4.964 1.00 0.00 O ATOM 0 H ASP A 23 -17.506 -6.692 -5.392 1.00 0.00 H new ATOM 0 HA ASP A 23 -19.198 -5.324 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.755 -5.646 -4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.888 -5.200 -5.757 1.00 0.00 H new ATOM 396 N TRP A 24 -17.158 -3.679 -6.492 1.00 0.00 N ATOM 397 CA TRP A 24 -16.541 -2.387 -6.089 1.00 0.00 C ATOM 398 C TRP A 24 -17.446 -1.225 -6.496 1.00 0.00 C ATOM 399 O TRP A 24 -17.279 -0.110 -6.040 1.00 0.00 O ATOM 400 CB TRP A 24 -15.178 -2.255 -6.766 1.00 0.00 C ATOM 401 CG TRP A 24 -14.332 -3.401 -6.341 1.00 0.00 C ATOM 402 CD1 TRP A 24 -14.148 -4.550 -7.029 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.564 -3.521 -5.126 1.00 0.00 C ATOM 404 NE1 TRP A 24 -13.304 -5.371 -6.300 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.916 -4.773 -5.115 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.373 -2.660 -4.042 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -12.099 -5.159 -4.053 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.555 -3.034 -2.973 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.916 -4.283 -2.977 1.00 0.00 C ATOM 0 H TRP A 24 -16.626 -4.217 -7.176 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.414 -2.363 -5.007 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -15.292 -2.249 -7.850 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.707 -1.312 -6.489 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.586 -4.788 -7.987 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.006 -6.300 -6.599 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.862 -1.697 -4.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.613 -6.123 -4.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.414 -2.360 -2.141 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.283 -4.568 -2.150 1.00 0.00 H new ATOM 420 N ILE A 25 -18.411 -1.473 -7.333 1.00 0.00 N ATOM 421 CA ILE A 25 -19.330 -0.383 -7.743 1.00 0.00 C ATOM 422 C ILE A 25 -20.240 -0.060 -6.561 1.00 0.00 C ATOM 423 O ILE A 25 -20.627 1.069 -6.350 1.00 0.00 O ATOM 424 CB ILE A 25 -20.171 -0.834 -8.947 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.630 -2.284 -8.743 1.00 0.00 C ATOM 426 CG2 ILE A 25 -19.335 -0.744 -10.228 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.698 -2.634 -9.780 1.00 0.00 C ATOM 0 H ILE A 25 -18.602 -2.384 -7.750 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.762 0.501 -8.032 1.00 0.00 H new ATOM 0 HB ILE A 25 -21.042 -0.184 -9.035 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.781 -2.962 -8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -21.030 -2.412 -7.737 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.937 -1.065 -11.078 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -19.012 0.286 -10.380 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -18.461 -1.389 -10.138 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -22.023 -3.664 -9.634 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -22.550 -1.965 -9.665 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -21.283 -2.523 -10.782 1.00 0.00 H new ATOM 439 N ARG A 26 -20.575 -1.049 -5.780 1.00 0.00 N ATOM 440 CA ARG A 26 -21.452 -0.810 -4.608 1.00 0.00 C ATOM 441 C ARG A 26 -20.617 -0.193 -3.495 1.00 0.00 C ATOM 442 O ARG A 26 -20.996 0.781 -2.878 1.00 0.00 O ATOM 443 CB ARG A 26 -22.036 -2.138 -4.122 1.00 0.00 C ATOM 444 CG ARG A 26 -23.107 -2.624 -5.099 1.00 0.00 C ATOM 445 CD ARG A 26 -23.672 -3.953 -4.600 1.00 0.00 C ATOM 446 NE ARG A 26 -24.850 -4.336 -5.429 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.400 -5.511 -5.280 1.00 0.00 C ATOM 448 NH1 ARG A 26 -24.918 -6.352 -4.407 1.00 0.00 N ATOM 449 NH2 ARG A 26 -26.431 -5.845 -6.007 1.00 0.00 N ATOM 0 H ARG A 26 -20.276 -2.016 -5.907 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.266 -0.140 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -21.245 -2.883 -4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -22.467 -2.014 -3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.903 -1.884 -5.183 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.680 -2.747 -6.094 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.908 -4.728 -4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -23.963 -3.866 -3.553 1.00 0.00 H new ATOM 0 HE ARG A 26 -25.227 -3.680 -6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -24.111 -6.092 -3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.348 -7.270 -4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.807 -5.188 -6.691 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.861 -6.763 -5.891 1.00 0.00 H new ATOM 463 N ILE A 27 -19.480 -0.762 -3.230 1.00 0.00 N ATOM 464 CA ILE A 27 -18.619 -0.215 -2.155 1.00 0.00 C ATOM 465 C ILE A 27 -18.328 1.257 -2.435 1.00 0.00 C ATOM 466 O ILE A 27 -18.246 2.067 -1.533 1.00 0.00 O ATOM 467 CB ILE A 27 -17.305 -0.991 -2.099 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.613 -2.471 -1.847 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.441 -0.437 -0.962 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.331 -3.305 -1.955 1.00 0.00 C ATOM 0 H ILE A 27 -19.110 -1.582 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.134 -0.310 -1.199 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.767 -0.887 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -18.054 -2.595 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.348 -2.825 -2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.501 -0.988 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.235 0.618 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.971 -0.547 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.563 -4.354 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.908 -3.194 -2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.609 -2.960 -1.215 1.00 0.00 H new ATOM 482 N SER A 28 -18.166 1.612 -3.680 1.00 0.00 N ATOM 483 CA SER A 28 -17.875 3.033 -4.011 1.00 0.00 C ATOM 484 C SER A 28 -19.143 3.873 -3.844 1.00 0.00 C ATOM 485 O SER A 28 -19.083 5.046 -3.537 1.00 0.00 O ATOM 486 CB SER A 28 -17.382 3.128 -5.450 1.00 0.00 C ATOM 487 OG SER A 28 -16.094 2.537 -5.543 1.00 0.00 O ATOM 0 H SER A 28 -18.223 0.981 -4.479 1.00 0.00 H new ATOM 0 HA SER A 28 -17.105 3.411 -3.338 1.00 0.00 H new ATOM 0 HB2 SER A 28 -18.077 2.621 -6.119 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.340 4.171 -5.765 1.00 0.00 H new ATOM 0 HG SER A 28 -16.183 1.562 -5.574 1.00 0.00 H new ATOM 493 N GLN A 29 -20.292 3.286 -4.042 1.00 0.00 N ATOM 494 CA GLN A 29 -21.554 4.068 -3.889 1.00 0.00 C ATOM 495 C GLN A 29 -21.674 4.535 -2.436 1.00 0.00 C ATOM 496 O GLN A 29 -22.003 5.673 -2.165 1.00 0.00 O ATOM 497 CB GLN A 29 -22.758 3.188 -4.267 1.00 0.00 C ATOM 498 CG GLN A 29 -22.888 3.101 -5.801 1.00 0.00 C ATOM 499 CD GLN A 29 -23.597 4.348 -6.341 1.00 0.00 C ATOM 500 OE1 GLN A 29 -22.996 5.394 -6.472 1.00 0.00 O ATOM 501 NE2 GLN A 29 -24.860 4.277 -6.660 1.00 0.00 N ATOM 0 H GLN A 29 -20.412 2.307 -4.301 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.537 4.936 -4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.635 2.190 -3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.671 3.603 -3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.900 3.010 -6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -23.448 2.207 -6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -25.365 3.398 -6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.342 5.101 -7.020 1.00 0.00 H new ATOM 510 N LEU A 30 -21.393 3.671 -1.501 1.00 0.00 N ATOM 511 CA LEU A 30 -21.474 4.076 -0.072 1.00 0.00 C ATOM 512 C LEU A 30 -20.293 4.998 0.234 1.00 0.00 C ATOM 513 O LEU A 30 -20.432 6.014 0.886 1.00 0.00 O ATOM 514 CB LEU A 30 -21.411 2.828 0.823 1.00 0.00 C ATOM 515 CG LEU A 30 -22.262 1.708 0.214 1.00 0.00 C ATOM 516 CD1 LEU A 30 -22.276 0.512 1.168 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.696 2.205 -0.007 1.00 0.00 C ATOM 0 H LEU A 30 -21.111 2.704 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.412 4.596 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.378 2.496 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.772 3.068 1.823 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.837 1.410 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.880 -0.288 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.257 0.156 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.701 0.815 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -24.296 1.405 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.128 2.506 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.685 3.058 -0.686 1.00 0.00 H new ATOM 529 N MET A 31 -19.128 4.642 -0.251 1.00 0.00 N ATOM 530 CA MET A 31 -17.902 5.473 -0.024 1.00 0.00 C ATOM 531 C MET A 31 -17.512 6.157 -1.336 1.00 0.00 C ATOM 532 O MET A 31 -16.507 5.840 -1.938 1.00 0.00 O ATOM 533 CB MET A 31 -16.758 4.564 0.436 1.00 0.00 C ATOM 534 CG MET A 31 -17.028 4.079 1.861 1.00 0.00 C ATOM 535 SD MET A 31 -16.821 5.456 3.018 1.00 0.00 S ATOM 536 CE MET A 31 -17.877 4.807 4.336 1.00 0.00 C ATOM 0 H MET A 31 -18.972 3.798 -0.803 1.00 0.00 H new ATOM 0 HA MET A 31 -18.099 6.227 0.738 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.664 3.712 -0.237 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.813 5.105 0.398 1.00 0.00 H new ATOM 0 HG2 MET A 31 -18.039 3.678 1.934 1.00 0.00 H new ATOM 0 HG3 MET A 31 -16.344 3.270 2.117 1.00 0.00 H new ATOM 0 HE1 MET A 31 -17.895 5.511 5.168 1.00 0.00 H new ATOM 0 HE2 MET A 31 -18.889 4.668 3.956 1.00 0.00 H new ATOM 0 HE3 MET A 31 -17.484 3.850 4.679 1.00 0.00 H new ATOM 546 N ILE A 32 -18.299 7.095 -1.783 1.00 0.00 N ATOM 547 CA ILE A 32 -17.972 7.804 -3.053 1.00 0.00 C ATOM 548 C ILE A 32 -16.630 8.523 -2.896 1.00 0.00 C ATOM 549 O ILE A 32 -16.060 9.017 -3.848 1.00 0.00 O ATOM 550 CB ILE A 32 -19.067 8.833 -3.348 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.356 9.638 -2.075 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.341 8.114 -3.797 1.00 0.00 C ATOM 553 CD1 ILE A 32 -20.237 10.838 -2.418 1.00 0.00 C ATOM 0 H ILE A 32 -19.156 7.402 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.910 7.088 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 32 -18.735 9.503 -4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.854 9.007 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -18.422 9.976 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.119 8.848 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.135 7.537 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.678 7.444 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -20.442 11.410 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -19.722 11.473 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.176 10.489 -2.847 1.00 0.00 H new ATOM 565 N THR A 33 -16.130 8.590 -1.693 1.00 0.00 N ATOM 566 CA THR A 33 -14.831 9.283 -1.448 1.00 0.00 C ATOM 567 C THR A 33 -13.784 8.814 -2.465 1.00 0.00 C ATOM 568 O THR A 33 -12.758 9.441 -2.642 1.00 0.00 O ATOM 569 CB THR A 33 -14.350 8.973 -0.026 1.00 0.00 C ATOM 570 OG1 THR A 33 -14.450 7.577 0.213 1.00 0.00 O ATOM 571 CG2 THR A 33 -15.218 9.723 0.985 1.00 0.00 C ATOM 0 H THR A 33 -16.568 8.192 -0.862 1.00 0.00 H new ATOM 0 HA THR A 33 -14.971 10.358 -1.559 1.00 0.00 H new ATOM 0 HB THR A 33 -13.312 9.290 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.141 7.378 1.121 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.874 9.501 1.995 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.144 10.795 0.804 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.256 9.408 0.878 1.00 0.00 H new ATOM 579 N ARG A 34 -14.033 7.723 -3.145 1.00 0.00 N ATOM 580 CA ARG A 34 -13.050 7.233 -4.156 1.00 0.00 C ATOM 581 C ARG A 34 -13.768 6.373 -5.196 1.00 0.00 C ATOM 582 O ARG A 34 -14.942 6.086 -5.075 1.00 0.00 O ATOM 583 CB ARG A 34 -11.933 6.425 -3.478 1.00 0.00 C ATOM 584 CG ARG A 34 -12.496 5.249 -2.658 1.00 0.00 C ATOM 585 CD ARG A 34 -13.159 5.733 -1.354 1.00 0.00 C ATOM 586 NE ARG A 34 -13.121 4.634 -0.349 1.00 0.00 N ATOM 587 CZ ARG A 34 -13.879 3.582 -0.506 1.00 0.00 C ATOM 588 NH1 ARG A 34 -14.653 3.484 -1.552 1.00 0.00 N ATOM 589 NH2 ARG A 34 -13.861 2.627 0.383 1.00 0.00 N ATOM 0 H ARG A 34 -14.872 7.153 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.597 8.092 -4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.248 6.045 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.355 7.080 -2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.225 4.703 -3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.692 4.552 -2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.638 6.611 -0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.190 6.032 -1.545 1.00 0.00 H new ATOM 0 HE ARG A 34 -12.504 4.703 0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.666 4.229 -2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -15.244 2.662 -1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.255 2.702 1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.453 1.805 0.261 1.00 0.00 H new ATOM 603 N ASN A 35 -13.076 5.981 -6.236 1.00 0.00 N ATOM 604 CA ASN A 35 -13.718 5.162 -7.313 1.00 0.00 C ATOM 605 C ASN A 35 -13.604 3.666 -6.967 1.00 0.00 C ATOM 606 O ASN A 35 -13.003 3.308 -5.975 1.00 0.00 O ATOM 607 CB ASN A 35 -13.023 5.468 -8.664 1.00 0.00 C ATOM 608 CG ASN A 35 -12.477 6.899 -8.655 1.00 0.00 C ATOM 609 OD1 ASN A 35 -13.131 7.809 -8.186 1.00 0.00 O ATOM 610 ND2 ASN A 35 -11.295 7.137 -9.157 1.00 0.00 N ATOM 0 H ASN A 35 -12.090 6.193 -6.387 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.775 5.415 -7.393 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.211 4.761 -8.834 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.731 5.344 -9.484 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.922 8.086 -9.155 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.745 6.374 -9.551 1.00 0.00 H new ATOM 617 N PRO A 36 -14.173 2.789 -7.771 1.00 0.00 N ATOM 618 CA PRO A 36 -14.105 1.321 -7.510 1.00 0.00 C ATOM 619 C PRO A 36 -12.675 0.793 -7.682 1.00 0.00 C ATOM 620 O PRO A 36 -12.145 0.104 -6.833 1.00 0.00 O ATOM 621 CB PRO A 36 -15.064 0.701 -8.562 1.00 0.00 C ATOM 622 CG PRO A 36 -15.845 1.853 -9.124 1.00 0.00 C ATOM 623 CD PRO A 36 -14.935 3.072 -9.002 1.00 0.00 C ATOM 0 HA PRO A 36 -14.390 1.067 -6.489 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.507 0.186 -9.345 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.725 -0.035 -8.104 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.117 1.671 -10.164 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.774 2.002 -8.573 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.281 3.177 -9.868 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.506 3.997 -8.921 1.00 0.00 H new ATOM 631 N ARG A 37 -12.053 1.118 -8.782 1.00 0.00 N ATOM 632 CA ARG A 37 -10.664 0.650 -9.025 1.00 0.00 C ATOM 633 C ARG A 37 -9.743 1.193 -7.931 1.00 0.00 C ATOM 634 O ARG A 37 -8.727 0.607 -7.613 1.00 0.00 O ATOM 635 CB ARG A 37 -10.191 1.159 -10.388 1.00 0.00 C ATOM 636 CG ARG A 37 -11.160 0.691 -11.475 1.00 0.00 C ATOM 637 CD ARG A 37 -10.743 1.282 -12.822 1.00 0.00 C ATOM 638 NE ARG A 37 -11.814 1.034 -13.828 1.00 0.00 N ATOM 639 CZ ARG A 37 -12.021 -0.174 -14.278 1.00 0.00 C ATOM 640 NH1 ARG A 37 -11.290 -1.166 -13.847 1.00 0.00 N ATOM 641 NH2 ARG A 37 -12.959 -0.390 -15.158 1.00 0.00 N ATOM 0 H ARG A 37 -12.452 1.691 -9.526 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.638 -0.440 -9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.134 2.248 -10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.187 0.789 -10.597 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.163 -0.398 -11.529 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.176 1.001 -11.229 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.565 2.353 -12.722 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.807 0.833 -13.154 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.386 1.808 -14.165 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.557 -0.998 -13.158 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.452 -2.110 -14.199 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.531 0.385 -15.495 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.121 -1.334 -15.510 1.00 0.00 H new ATOM 655 N GLN A 38 -10.084 2.316 -7.359 1.00 0.00 N ATOM 656 CA GLN A 38 -9.221 2.905 -6.295 1.00 0.00 C ATOM 657 C GLN A 38 -9.160 1.971 -5.084 1.00 0.00 C ATOM 658 O GLN A 38 -8.094 1.682 -4.578 1.00 0.00 O ATOM 659 CB GLN A 38 -9.786 4.259 -5.864 1.00 0.00 C ATOM 660 CG GLN A 38 -9.639 5.268 -7.008 1.00 0.00 C ATOM 661 CD GLN A 38 -8.164 5.641 -7.178 1.00 0.00 C ATOM 662 OE1 GLN A 38 -7.454 5.024 -7.946 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.671 6.632 -6.488 1.00 0.00 N ATOM 0 H GLN A 38 -10.923 2.851 -7.583 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.215 3.038 -6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.836 4.155 -5.590 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.260 4.618 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.026 4.842 -7.934 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.228 6.160 -6.797 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.267 7.151 -5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.689 6.888 -6.594 1.00 0.00 H new ATOM 672 N CYS A 39 -10.279 1.490 -4.606 1.00 0.00 N ATOM 673 CA CYS A 39 -10.234 0.583 -3.432 1.00 0.00 C ATOM 674 C CYS A 39 -9.680 -0.769 -3.871 1.00 0.00 C ATOM 675 O CYS A 39 -9.013 -1.452 -3.123 1.00 0.00 O ATOM 676 CB CYS A 39 -11.641 0.392 -2.878 1.00 0.00 C ATOM 677 SG CYS A 39 -12.409 2.000 -2.581 1.00 0.00 S ATOM 0 H CYS A 39 -11.209 1.686 -4.976 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.597 1.015 -2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.243 -0.184 -3.581 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.601 -0.179 -1.950 1.00 0.00 H new ATOM 0 HG CYS A 39 -12.670 2.573 -3.718 1.00 0.00 H new ATOM 683 N ARG A 40 -9.958 -1.164 -5.083 1.00 0.00 N ATOM 684 CA ARG A 40 -9.450 -2.477 -5.563 1.00 0.00 C ATOM 685 C ARG A 40 -7.931 -2.531 -5.388 1.00 0.00 C ATOM 686 O ARG A 40 -7.392 -3.462 -4.822 1.00 0.00 O ATOM 687 CB ARG A 40 -9.799 -2.644 -7.046 1.00 0.00 C ATOM 688 CG ARG A 40 -9.197 -3.947 -7.607 1.00 0.00 C ATOM 689 CD ARG A 40 -9.627 -5.156 -6.763 1.00 0.00 C ATOM 690 NE ARG A 40 -9.522 -6.394 -7.588 1.00 0.00 N ATOM 691 CZ ARG A 40 -8.352 -6.842 -7.954 1.00 0.00 C ATOM 692 NH1 ARG A 40 -7.267 -6.219 -7.584 1.00 0.00 N ATOM 693 NH2 ARG A 40 -8.267 -7.918 -8.687 1.00 0.00 N ATOM 0 H ARG A 40 -10.512 -0.637 -5.758 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.910 -3.279 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.882 -2.655 -7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.422 -1.791 -7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.518 -4.086 -8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.109 -3.875 -7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.996 -5.240 -5.878 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.651 -5.024 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.367 -6.892 -7.867 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.332 -5.380 -7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.354 -6.571 -7.871 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.114 -8.408 -8.973 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.353 -8.269 -8.974 1.00 0.00 H new ATOM 707 N GLU A 41 -7.239 -1.540 -5.877 1.00 0.00 N ATOM 708 CA GLU A 41 -5.755 -1.532 -5.751 1.00 0.00 C ATOM 709 C GLU A 41 -5.369 -1.689 -4.281 1.00 0.00 C ATOM 710 O GLU A 41 -4.330 -2.229 -3.955 1.00 0.00 O ATOM 711 CB GLU A 41 -5.201 -0.209 -6.286 1.00 0.00 C ATOM 712 CG GLU A 41 -5.351 -0.165 -7.809 1.00 0.00 C ATOM 713 CD GLU A 41 -4.363 -1.143 -8.452 1.00 0.00 C ATOM 714 OE1 GLU A 41 -3.190 -1.069 -8.125 1.00 0.00 O ATOM 715 OE2 GLU A 41 -4.798 -1.947 -9.259 1.00 0.00 O ATOM 0 H GLU A 41 -7.638 -0.734 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.338 -2.358 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.733 0.628 -5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.151 -0.105 -6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.371 -0.425 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.167 0.846 -8.173 1.00 0.00 H new ATOM 722 N ARG A 42 -6.195 -1.220 -3.391 1.00 0.00 N ATOM 723 CA ARG A 42 -5.870 -1.342 -1.942 1.00 0.00 C ATOM 724 C ARG A 42 -5.977 -2.812 -1.526 1.00 0.00 C ATOM 725 O ARG A 42 -5.151 -3.327 -0.800 1.00 0.00 O ATOM 726 CB ARG A 42 -6.858 -0.493 -1.134 1.00 0.00 C ATOM 727 CG ARG A 42 -6.370 -0.326 0.316 1.00 0.00 C ATOM 728 CD ARG A 42 -5.045 0.470 0.383 1.00 0.00 C ATOM 729 NE ARG A 42 -4.975 1.463 -0.732 1.00 0.00 N ATOM 730 CZ ARG A 42 -3.820 1.944 -1.116 1.00 0.00 C ATOM 731 NH1 ARG A 42 -2.722 1.557 -0.528 1.00 0.00 N ATOM 732 NH2 ARG A 42 -3.768 2.814 -2.087 1.00 0.00 N ATOM 0 H ARG A 42 -7.080 -0.758 -3.602 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.856 -0.990 -1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.971 0.486 -1.600 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.841 -0.964 -1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.133 0.187 0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.229 -1.308 0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.971 0.984 1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.199 -0.215 0.322 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.831 1.767 -1.196 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.763 0.878 0.232 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.823 1.933 -0.829 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.627 3.118 -2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.869 3.190 -2.387 1.00 0.00 H new ATOM 746 N TRP A 43 -6.995 -3.485 -1.989 1.00 0.00 N ATOM 747 CA TRP A 43 -7.189 -4.924 -1.645 1.00 0.00 C ATOM 748 C TRP A 43 -5.872 -5.681 -1.794 1.00 0.00 C ATOM 749 O TRP A 43 -5.375 -6.270 -0.859 1.00 0.00 O ATOM 750 CB TRP A 43 -8.223 -5.488 -2.635 1.00 0.00 C ATOM 751 CG TRP A 43 -8.741 -6.840 -2.227 1.00 0.00 C ATOM 752 CD1 TRP A 43 -9.091 -7.220 -0.974 1.00 0.00 C ATOM 753 CD2 TRP A 43 -9.003 -7.991 -3.084 1.00 0.00 C ATOM 754 NE1 TRP A 43 -9.539 -8.528 -1.010 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.504 -9.048 -2.287 1.00 0.00 C ATOM 756 CE3 TRP A 43 -8.850 -8.219 -4.463 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -9.843 -10.283 -2.839 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -9.189 -9.462 -5.023 1.00 0.00 C ATOM 759 CH2 TRP A 43 -9.685 -10.492 -4.212 1.00 0.00 C ATOM 0 H TRP A 43 -7.711 -3.093 -2.600 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.529 -5.032 -0.615 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.059 -4.793 -2.716 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.771 -5.560 -3.624 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.030 -6.602 -0.091 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.857 -9.046 -0.191 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.469 -7.432 -5.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.225 -11.073 -2.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.067 -9.625 -6.084 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.945 -11.446 -4.647 1.00 0.00 H new ATOM 770 N ASN A 44 -5.305 -5.647 -2.958 1.00 0.00 N ATOM 771 CA ASN A 44 -4.020 -6.364 -3.200 1.00 0.00 C ATOM 772 C ASN A 44 -2.855 -5.670 -2.489 1.00 0.00 C ATOM 773 O ASN A 44 -1.865 -6.294 -2.165 1.00 0.00 O ATOM 774 CB ASN A 44 -3.743 -6.400 -4.704 1.00 0.00 C ATOM 775 CG ASN A 44 -4.952 -6.993 -5.429 1.00 0.00 C ATOM 776 OD1 ASN A 44 -4.847 -8.022 -6.068 1.00 0.00 O ATOM 777 ND2 ASN A 44 -6.105 -6.386 -5.357 1.00 0.00 N ATOM 0 H ASN A 44 -5.677 -5.148 -3.766 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.109 -7.376 -2.804 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.542 -5.394 -5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.854 -6.997 -4.907 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.917 -6.775 -5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.194 -5.523 -4.821 1.00 0.00 H new ATOM 784 N ASN A 45 -2.948 -4.384 -2.261 1.00 0.00 N ATOM 785 CA ASN A 45 -1.821 -3.654 -1.591 1.00 0.00 C ATOM 786 C ASN A 45 -2.055 -3.551 -0.082 1.00 0.00 C ATOM 787 O ASN A 45 -1.356 -2.831 0.602 1.00 0.00 O ATOM 788 CB ASN A 45 -1.718 -2.245 -2.179 1.00 0.00 C ATOM 789 CG ASN A 45 -1.596 -2.334 -3.702 1.00 0.00 C ATOM 790 OD1 ASN A 45 -1.048 -3.284 -4.225 1.00 0.00 O ATOM 791 ND2 ASN A 45 -2.087 -1.376 -4.442 1.00 0.00 N ATOM 0 H ASN A 45 -3.752 -3.807 -2.508 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.898 -4.208 -1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.598 -1.661 -1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.852 -1.729 -1.764 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.010 -1.426 -5.458 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.547 -0.578 -4.004 1.00 0.00 H new ATOM 798 N TYR A 46 -3.018 -4.259 0.462 1.00 0.00 N ATOM 799 CA TYR A 46 -3.247 -4.176 1.944 1.00 0.00 C ATOM 800 C TYR A 46 -3.795 -5.508 2.472 1.00 0.00 C ATOM 801 O TYR A 46 -3.220 -6.100 3.364 1.00 0.00 O ATOM 802 CB TYR A 46 -4.214 -3.008 2.251 1.00 0.00 C ATOM 803 CG TYR A 46 -3.784 -2.293 3.528 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.701 -3.008 4.729 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.465 -0.926 3.509 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.305 -2.363 5.906 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.069 -0.282 4.687 1.00 0.00 C ATOM 808 CZ TYR A 46 -2.990 -1.000 5.885 1.00 0.00 C ATOM 809 OH TYR A 46 -2.600 -0.364 7.046 1.00 0.00 O ATOM 0 H TYR A 46 -3.647 -4.882 -0.045 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.301 -3.984 2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.224 -2.306 1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.230 -3.386 2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.943 -4.060 4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.525 -0.371 2.585 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.243 -2.917 6.831 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.824 0.770 4.671 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.417 0.580 6.856 1.00 0.00 H new ATOM 819 N ILE A 47 -4.892 -5.996 1.937 1.00 0.00 N ATOM 820 CA ILE A 47 -5.452 -7.303 2.426 1.00 0.00 C ATOM 821 C ILE A 47 -6.063 -8.104 1.259 1.00 0.00 C ATOM 822 O ILE A 47 -6.986 -7.685 0.592 1.00 0.00 O ATOM 823 CB ILE A 47 -6.488 -7.072 3.572 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.898 -6.705 3.059 1.00 0.00 C ATOM 825 CG2 ILE A 47 -6.001 -5.949 4.493 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.859 -5.413 2.242 1.00 0.00 C ATOM 0 H ILE A 47 -5.422 -5.550 1.188 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.635 -7.894 2.840 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.567 -8.019 4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.290 -7.517 2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.578 -6.587 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.727 -5.792 5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.040 -6.225 4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.889 -5.030 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.863 -5.174 1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.489 -4.599 2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.197 -5.544 1.386 1.00 0.00 H new ATOM 838 N ASN A 48 -5.522 -9.271 1.024 1.00 0.00 N ATOM 839 CA ASN A 48 -6.022 -10.165 -0.066 1.00 0.00 C ATOM 840 C ASN A 48 -5.188 -11.464 -0.078 1.00 0.00 C ATOM 841 O ASN A 48 -5.738 -12.545 -0.134 1.00 0.00 O ATOM 842 CB ASN A 48 -5.969 -9.429 -1.442 1.00 0.00 C ATOM 843 CG ASN A 48 -5.148 -10.200 -2.494 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.622 -11.162 -3.065 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.933 -9.811 -2.768 1.00 0.00 N ATOM 0 H ASN A 48 -4.737 -9.651 1.553 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.064 -10.426 0.118 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.984 -9.285 -1.812 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.537 -8.438 -1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.381 -10.315 -3.462 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.536 -9.003 -2.288 1.00 0.00 H new ATOM 852 N PRO A 49 -3.872 -11.371 -0.052 1.00 0.00 N ATOM 853 CA PRO A 49 -2.978 -12.550 -0.087 1.00 0.00 C ATOM 854 C PRO A 49 -2.413 -12.905 1.298 1.00 0.00 C ATOM 855 O PRO A 49 -1.737 -13.899 1.456 1.00 0.00 O ATOM 856 CB PRO A 49 -1.866 -12.055 -1.026 1.00 0.00 C ATOM 857 CG PRO A 49 -1.783 -10.555 -0.786 1.00 0.00 C ATOM 858 CD PRO A 49 -3.054 -10.153 0.011 1.00 0.00 C ATOM 0 HA PRO A 49 -3.479 -13.463 -0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.917 -12.543 -0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.102 -12.275 -2.067 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.882 -10.303 -0.228 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.734 -10.015 -1.732 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.817 -9.877 1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.562 -9.300 -0.440 1.00 0.00 H new ATOM 866 N ALA A 50 -2.668 -12.090 2.290 1.00 0.00 N ATOM 867 CA ALA A 50 -2.128 -12.371 3.655 1.00 0.00 C ATOM 868 C ALA A 50 -0.621 -12.103 3.635 1.00 0.00 C ATOM 869 O ALA A 50 0.187 -12.965 3.919 1.00 0.00 O ATOM 870 CB ALA A 50 -2.423 -13.833 4.055 1.00 0.00 C ATOM 0 H ALA A 50 -3.228 -11.241 2.213 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.606 -11.726 4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.025 -14.025 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.500 -13.999 4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.953 -14.508 3.340 1.00 0.00 H new ATOM 876 N LEU A 51 -0.249 -10.904 3.282 1.00 0.00 N ATOM 877 CA LEU A 51 1.198 -10.534 3.212 1.00 0.00 C ATOM 878 C LEU A 51 1.649 -9.987 4.571 1.00 0.00 C ATOM 879 O LEU A 51 2.539 -9.164 4.659 1.00 0.00 O ATOM 880 CB LEU A 51 1.409 -9.476 2.101 1.00 0.00 C ATOM 881 CG LEU A 51 0.190 -8.540 1.994 1.00 0.00 C ATOM 882 CD1 LEU A 51 -0.050 -7.831 3.333 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.443 -7.497 0.896 1.00 0.00 C ATOM 0 H LEU A 51 -0.893 -10.153 3.035 1.00 0.00 H new ATOM 0 HA LEU A 51 1.795 -11.414 2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.304 -8.891 2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.575 -9.974 1.146 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.692 -9.129 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.914 -7.172 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.236 -8.573 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.830 -7.243 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.419 -6.834 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.329 -6.913 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.598 -8.002 -0.057 1.00 0.00 H new ATOM 895 N ARG A 52 1.046 -10.445 5.633 1.00 0.00 N ATOM 896 CA ARG A 52 1.447 -9.959 6.981 1.00 0.00 C ATOM 897 C ARG A 52 2.937 -10.234 7.191 1.00 0.00 C ATOM 898 O ARG A 52 3.520 -9.829 8.177 1.00 0.00 O ATOM 899 CB ARG A 52 0.636 -10.693 8.051 1.00 0.00 C ATOM 900 CG ARG A 52 -0.857 -10.448 7.818 1.00 0.00 C ATOM 901 CD ARG A 52 -1.674 -11.370 8.725 1.00 0.00 C ATOM 902 NE ARG A 52 -1.159 -11.278 10.121 1.00 0.00 N ATOM 903 CZ ARG A 52 -1.670 -12.030 11.057 1.00 0.00 C ATOM 904 NH1 ARG A 52 -2.633 -12.864 10.773 1.00 0.00 N ATOM 905 NH2 ARG A 52 -1.218 -11.948 12.278 1.00 0.00 N ATOM 0 H ARG A 52 0.294 -11.134 5.625 1.00 0.00 H new ATOM 0 HA ARG A 52 1.257 -8.888 7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.850 -11.761 8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.922 -10.343 9.043 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.102 -9.406 8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.108 -10.633 6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.726 -11.088 8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.609 -12.398 8.369 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.407 -10.627 10.345 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.987 -12.928 9.819 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.032 -13.451 11.506 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.466 -11.296 12.501 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.617 -12.536 13.010 1.00 0.00 H new ATOM 919 N THR A 53 3.560 -10.923 6.270 1.00 0.00 N ATOM 920 CA THR A 53 5.016 -11.228 6.414 1.00 0.00 C ATOM 921 C THR A 53 5.624 -11.515 5.037 1.00 0.00 C ATOM 922 O THR A 53 6.026 -12.625 4.746 1.00 0.00 O ATOM 923 CB THR A 53 5.191 -12.455 7.314 1.00 0.00 C ATOM 924 OG1 THR A 53 4.420 -12.286 8.495 1.00 0.00 O ATOM 925 CG2 THR A 53 6.667 -12.615 7.686 1.00 0.00 C ATOM 0 H THR A 53 3.123 -11.288 5.424 1.00 0.00 H new ATOM 0 HA THR A 53 5.522 -10.371 6.859 1.00 0.00 H new ATOM 0 HB THR A 53 4.855 -13.345 6.782 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.290 -11.330 8.667 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.788 -13.489 8.326 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.259 -12.744 6.780 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.007 -11.726 8.217 1.00 0.00 H new ATOM 933 N ASP A 54 5.698 -10.516 4.188 1.00 0.00 N ATOM 934 CA ASP A 54 6.283 -10.698 2.819 1.00 0.00 C ATOM 935 C ASP A 54 7.302 -9.585 2.562 1.00 0.00 C ATOM 936 O ASP A 54 7.068 -8.709 1.758 1.00 0.00 O ATOM 937 CB ASP A 54 5.164 -10.602 1.779 1.00 0.00 C ATOM 938 CG ASP A 54 5.723 -10.936 0.394 1.00 0.00 C ATOM 939 OD1 ASP A 54 6.777 -10.418 0.062 1.00 0.00 O ATOM 940 OD2 ASP A 54 5.088 -11.703 -0.311 1.00 0.00 O ATOM 0 H ASP A 54 5.374 -9.570 4.388 1.00 0.00 H new ATOM 0 HA ASP A 54 6.769 -11.671 2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.357 -11.290 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.739 -9.598 1.779 1.00 0.00 H new ATOM 945 N PRO A 55 8.419 -9.603 3.248 1.00 0.00 N ATOM 946 CA PRO A 55 9.466 -8.551 3.090 1.00 0.00 C ATOM 947 C PRO A 55 10.253 -8.697 1.784 1.00 0.00 C ATOM 948 O PRO A 55 10.653 -9.776 1.395 1.00 0.00 O ATOM 949 CB PRO A 55 10.372 -8.769 4.310 1.00 0.00 C ATOM 950 CG PRO A 55 10.271 -10.232 4.577 1.00 0.00 C ATOM 951 CD PRO A 55 8.822 -10.618 4.246 1.00 0.00 C ATOM 0 HA PRO A 55 9.038 -7.550 3.039 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.400 -8.471 4.102 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.037 -8.183 5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.975 -10.791 3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.508 -10.457 5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.757 -11.628 3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.186 -10.588 5.130 1.00 0.00 H new ATOM 959 N TRP A 56 10.475 -7.603 1.118 1.00 0.00 N ATOM 960 CA TRP A 56 11.240 -7.628 -0.164 1.00 0.00 C ATOM 961 C TRP A 56 12.743 -7.716 0.147 1.00 0.00 C ATOM 962 O TRP A 56 13.132 -8.001 1.263 1.00 0.00 O ATOM 963 CB TRP A 56 10.914 -6.362 -0.990 1.00 0.00 C ATOM 964 CG TRP A 56 10.561 -5.213 -0.092 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.313 -4.922 0.341 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.432 -4.192 0.465 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.359 -3.791 1.136 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.649 -3.300 1.241 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.814 -3.958 0.376 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.223 -2.212 1.899 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.393 -2.867 1.036 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.600 -1.993 1.795 1.00 0.00 C ATOM 0 H TRP A 56 10.156 -6.678 1.408 1.00 0.00 H new ATOM 0 HA TRP A 56 10.955 -8.499 -0.754 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.771 -6.096 -1.608 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.085 -6.568 -1.667 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.422 -5.484 0.104 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.546 -3.372 1.587 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.434 -4.624 -0.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.608 -1.544 2.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.457 -2.697 0.960 1.00 0.00 H new ATOM 0 HH2 TRP A 56 13.053 -1.152 2.299 1.00 0.00 H new ATOM 983 N SER A 57 13.586 -7.498 -0.841 1.00 0.00 N ATOM 984 CA SER A 57 15.075 -7.594 -0.629 1.00 0.00 C ATOM 985 C SER A 57 15.755 -6.334 -1.194 1.00 0.00 C ATOM 986 O SER A 57 15.108 -5.489 -1.777 1.00 0.00 O ATOM 987 CB SER A 57 15.587 -8.854 -1.366 1.00 0.00 C ATOM 988 OG SER A 57 16.355 -8.481 -2.505 1.00 0.00 O ATOM 0 H SER A 57 13.306 -7.256 -1.792 1.00 0.00 H new ATOM 0 HA SER A 57 15.307 -7.667 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.194 -9.457 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.743 -9.472 -1.674 1.00 0.00 H new ATOM 0 HG SER A 57 16.675 -9.287 -2.962 1.00 0.00 H new ATOM 994 N PRO A 58 17.057 -6.208 -1.027 1.00 0.00 N ATOM 995 CA PRO A 58 17.819 -5.027 -1.538 1.00 0.00 C ATOM 996 C PRO A 58 17.465 -4.694 -2.993 1.00 0.00 C ATOM 997 O PRO A 58 17.725 -3.609 -3.475 1.00 0.00 O ATOM 998 CB PRO A 58 19.286 -5.467 -1.410 1.00 0.00 C ATOM 999 CG PRO A 58 19.285 -6.407 -0.250 1.00 0.00 C ATOM 1000 CD PRO A 58 17.952 -7.162 -0.333 1.00 0.00 C ATOM 0 HA PRO A 58 17.592 -4.117 -0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.636 -5.956 -2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.943 -4.616 -1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.129 -7.095 -0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.372 -5.867 0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.053 -8.094 -0.888 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.574 -7.420 0.656 1.00 0.00 H new ATOM 1008 N GLU A 59 16.860 -5.616 -3.687 1.00 0.00 N ATOM 1009 CA GLU A 59 16.472 -5.362 -5.094 1.00 0.00 C ATOM 1010 C GLU A 59 15.428 -4.259 -5.094 1.00 0.00 C ATOM 1011 O GLU A 59 15.490 -3.333 -5.877 1.00 0.00 O ATOM 1012 CB GLU A 59 15.883 -6.635 -5.707 1.00 0.00 C ATOM 1013 CG GLU A 59 16.941 -7.740 -5.704 1.00 0.00 C ATOM 1014 CD GLU A 59 16.377 -8.990 -6.382 1.00 0.00 C ATOM 1015 OE1 GLU A 59 15.307 -9.422 -5.987 1.00 0.00 O ATOM 1016 OE2 GLU A 59 17.025 -9.493 -7.285 1.00 0.00 O ATOM 0 H GLU A 59 16.617 -6.541 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 59 17.340 -5.065 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.008 -6.953 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.549 -6.440 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.836 -7.402 -6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.238 -7.971 -4.681 1.00 0.00 H new ATOM 1023 N GLU A 60 14.477 -4.333 -4.200 1.00 0.00 N ATOM 1024 CA GLU A 60 13.457 -3.263 -4.145 1.00 0.00 C ATOM 1025 C GLU A 60 14.112 -2.024 -3.548 1.00 0.00 C ATOM 1026 O GLU A 60 13.789 -0.920 -3.899 1.00 0.00 O ATOM 1027 CB GLU A 60 12.288 -3.703 -3.270 1.00 0.00 C ATOM 1028 CG GLU A 60 11.481 -4.783 -3.998 1.00 0.00 C ATOM 1029 CD GLU A 60 12.359 -6.012 -4.250 1.00 0.00 C ATOM 1030 OE1 GLU A 60 13.227 -6.277 -3.435 1.00 0.00 O ATOM 1031 OE2 GLU A 60 12.146 -6.669 -5.256 1.00 0.00 O ATOM 0 H GLU A 60 14.369 -5.082 -3.516 1.00 0.00 H new ATOM 0 HA GLU A 60 13.077 -3.049 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.657 -4.089 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.650 -2.849 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.612 -5.063 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.107 -4.393 -4.945 1.00 0.00 H new ATOM 1038 N ASP A 61 15.045 -2.204 -2.652 1.00 0.00 N ATOM 1039 CA ASP A 61 15.727 -1.024 -2.046 1.00 0.00 C ATOM 1040 C ASP A 61 16.433 -0.231 -3.148 1.00 0.00 C ATOM 1041 O ASP A 61 16.180 0.941 -3.345 1.00 0.00 O ATOM 1042 CB ASP A 61 16.765 -1.499 -1.020 1.00 0.00 C ATOM 1043 CG ASP A 61 17.206 -0.320 -0.147 1.00 0.00 C ATOM 1044 OD1 ASP A 61 17.903 0.540 -0.657 1.00 0.00 O ATOM 1045 OD2 ASP A 61 16.838 -0.299 1.017 1.00 0.00 O ATOM 0 H ASP A 61 15.363 -3.112 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 61 14.990 -0.393 -1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.341 -2.286 -0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.627 -1.927 -1.532 1.00 0.00 H new ATOM 1050 N MET A 62 17.319 -0.866 -3.866 1.00 0.00 N ATOM 1051 CA MET A 62 18.044 -0.159 -4.954 1.00 0.00 C ATOM 1052 C MET A 62 17.045 0.312 -6.008 1.00 0.00 C ATOM 1053 O MET A 62 17.184 1.377 -6.576 1.00 0.00 O ATOM 1054 CB MET A 62 19.056 -1.111 -5.596 1.00 0.00 C ATOM 1055 CG MET A 62 20.152 -1.450 -4.585 1.00 0.00 C ATOM 1056 SD MET A 62 21.218 -2.746 -5.264 1.00 0.00 S ATOM 1057 CE MET A 62 22.235 -3.000 -3.788 1.00 0.00 C ATOM 0 H MET A 62 17.571 -1.847 -3.744 1.00 0.00 H new ATOM 0 HA MET A 62 18.569 0.703 -4.541 1.00 0.00 H new ATOM 0 HB2 MET A 62 18.556 -2.022 -5.925 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.494 -0.650 -6.481 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.741 -0.561 -4.359 1.00 0.00 H new ATOM 0 HG3 MET A 62 19.707 -1.784 -3.648 1.00 0.00 H new ATOM 0 HE1 MET A 62 22.976 -3.774 -3.986 1.00 0.00 H new ATOM 0 HE2 MET A 62 22.742 -2.070 -3.531 1.00 0.00 H new ATOM 0 HE3 MET A 62 21.600 -3.309 -2.958 1.00 0.00 H new ATOM 1067 N LEU A 63 16.032 -0.470 -6.274 1.00 0.00 N ATOM 1068 CA LEU A 63 15.022 -0.053 -7.293 1.00 0.00 C ATOM 1069 C LEU A 63 14.095 0.992 -6.669 1.00 0.00 C ATOM 1070 O LEU A 63 13.525 1.821 -7.349 1.00 0.00 O ATOM 1071 CB LEU A 63 14.202 -1.273 -7.737 1.00 0.00 C ATOM 1072 CG LEU A 63 13.334 -0.926 -8.971 1.00 0.00 C ATOM 1073 CD1 LEU A 63 14.164 -1.009 -10.264 1.00 0.00 C ATOM 1074 CD2 LEU A 63 12.166 -1.917 -9.072 1.00 0.00 C ATOM 0 H LEU A 63 15.860 -1.374 -5.833 1.00 0.00 H new ATOM 0 HA LEU A 63 15.525 0.371 -8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.871 -2.100 -7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.564 -1.606 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 63 12.960 0.091 -8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.533 -0.761 -11.118 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.994 -0.305 -10.209 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.554 -2.020 -10.382 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.555 -1.672 -9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.556 -2.930 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.556 -1.854 -8.171 1.00 0.00 H new ATOM 1086 N LEU A 64 13.952 0.960 -5.374 1.00 0.00 N ATOM 1087 CA LEU A 64 13.076 1.946 -4.683 1.00 0.00 C ATOM 1088 C LEU A 64 13.802 3.287 -4.645 1.00 0.00 C ATOM 1089 O LEU A 64 13.214 4.322 -4.850 1.00 0.00 O ATOM 1090 CB LEU A 64 12.786 1.451 -3.255 1.00 0.00 C ATOM 1091 CG LEU A 64 12.083 2.531 -2.415 1.00 0.00 C ATOM 1092 CD1 LEU A 64 10.754 2.929 -3.085 1.00 0.00 C ATOM 1093 CD2 LEU A 64 11.813 1.972 -1.003 1.00 0.00 C ATOM 0 H LEU A 64 14.409 0.287 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 64 12.129 2.059 -5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.162 0.559 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.720 1.164 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 64 12.719 3.414 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.260 3.694 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.952 3.321 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.108 2.054 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.315 2.731 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.176 1.091 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.758 1.698 -0.533 1.00 0.00 H new ATOM 1105 N ASP A 65 15.082 3.278 -4.396 1.00 0.00 N ATOM 1106 CA ASP A 65 15.840 4.564 -4.358 1.00 0.00 C ATOM 1107 C ASP A 65 15.509 5.375 -5.613 1.00 0.00 C ATOM 1108 O ASP A 65 15.543 6.589 -5.611 1.00 0.00 O ATOM 1109 CB ASP A 65 17.340 4.269 -4.325 1.00 0.00 C ATOM 1110 CG ASP A 65 17.717 3.683 -2.964 1.00 0.00 C ATOM 1111 OD1 ASP A 65 17.177 4.144 -1.972 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.540 2.782 -2.937 1.00 0.00 O ATOM 0 H ASP A 65 15.636 2.440 -4.218 1.00 0.00 H new ATOM 0 HA ASP A 65 15.562 5.130 -3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.601 3.569 -5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.905 5.183 -4.508 1.00 0.00 H new ATOM 1117 N GLN A 66 15.183 4.702 -6.681 1.00 0.00 N ATOM 1118 CA GLN A 66 14.839 5.418 -7.945 1.00 0.00 C ATOM 1119 C GLN A 66 13.403 5.948 -7.871 1.00 0.00 C ATOM 1120 O GLN A 66 13.134 7.083 -8.207 1.00 0.00 O ATOM 1121 CB GLN A 66 14.970 4.453 -9.127 1.00 0.00 C ATOM 1122 CG GLN A 66 14.907 5.234 -10.445 1.00 0.00 C ATOM 1123 CD GLN A 66 16.194 6.041 -10.626 1.00 0.00 C ATOM 1124 OE1 GLN A 66 16.160 7.255 -10.693 1.00 0.00 O ATOM 1125 NE2 GLN A 66 17.337 5.415 -10.706 1.00 0.00 N ATOM 0 H GLN A 66 15.139 3.684 -6.735 1.00 0.00 H new ATOM 0 HA GLN A 66 15.521 6.257 -8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 66 15.912 3.909 -9.061 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.171 3.712 -9.094 1.00 0.00 H new ATOM 0 HG2 GLN A 66 14.776 4.547 -11.281 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.045 5.901 -10.443 1.00 0.00 H new ATOM 0 HE21 GLN A 66 17.366 4.397 -10.650 1.00 0.00 H new ATOM 0 HE22 GLN A 66 18.201 5.944 -10.825 1.00 0.00 H new ATOM 1134 N LYS A 67 12.478 5.133 -7.439 1.00 0.00 N ATOM 1135 CA LYS A 67 11.058 5.593 -7.353 1.00 0.00 C ATOM 1136 C LYS A 67 10.895 6.503 -6.129 1.00 0.00 C ATOM 1137 O LYS A 67 10.425 7.617 -6.232 1.00 0.00 O ATOM 1138 CB LYS A 67 10.132 4.369 -7.228 1.00 0.00 C ATOM 1139 CG LYS A 67 9.874 3.752 -8.611 1.00 0.00 C ATOM 1140 CD LYS A 67 11.207 3.450 -9.306 1.00 0.00 C ATOM 1141 CE LYS A 67 10.959 2.569 -10.534 1.00 0.00 C ATOM 1142 NZ LYS A 67 10.427 1.247 -10.097 1.00 0.00 N ATOM 0 H LYS A 67 12.642 4.171 -7.142 1.00 0.00 H new ATOM 0 HA LYS A 67 10.793 6.150 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.585 3.627 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.187 4.664 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.293 2.836 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.284 4.437 -9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.691 4.380 -9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.883 2.946 -8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.251 3.054 -11.206 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.886 2.434 -11.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.679 0.522 -10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.839 0.994 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.392 1.301 -10.010 1.00 0.00 H new ATOM 1156 N TYR A 68 11.289 6.039 -4.975 1.00 0.00 N ATOM 1157 CA TYR A 68 11.169 6.875 -3.739 1.00 0.00 C ATOM 1158 C TYR A 68 11.749 8.265 -4.026 1.00 0.00 C ATOM 1159 O TYR A 68 11.189 9.277 -3.655 1.00 0.00 O ATOM 1160 CB TYR A 68 11.951 6.190 -2.597 1.00 0.00 C ATOM 1161 CG TYR A 68 12.308 7.184 -1.510 1.00 0.00 C ATOM 1162 CD1 TYR A 68 13.434 8.003 -1.665 1.00 0.00 C ATOM 1163 CD2 TYR A 68 11.520 7.289 -0.357 1.00 0.00 C ATOM 1164 CE1 TYR A 68 13.772 8.924 -0.670 1.00 0.00 C ATOM 1165 CE2 TYR A 68 11.860 8.211 0.639 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.985 9.029 0.484 1.00 0.00 C ATOM 1167 OH TYR A 68 13.318 9.938 1.466 1.00 0.00 O ATOM 0 H TYR A 68 11.691 5.113 -4.831 1.00 0.00 H new ATOM 0 HA TYR A 68 10.125 6.978 -3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 68 11.352 5.383 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.860 5.738 -2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 68 14.041 7.922 -2.554 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.651 6.659 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 68 14.640 9.555 -0.791 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.253 8.292 1.529 1.00 0.00 H new ATOM 0 HH TYR A 68 12.668 9.882 2.197 1.00 0.00 H new ATOM 1177 N ALA A 69 12.862 8.313 -4.694 1.00 0.00 N ATOM 1178 CA ALA A 69 13.485 9.620 -5.021 1.00 0.00 C ATOM 1179 C ALA A 69 12.441 10.510 -5.703 1.00 0.00 C ATOM 1180 O ALA A 69 12.401 11.709 -5.503 1.00 0.00 O ATOM 1181 CB ALA A 69 14.665 9.377 -5.969 1.00 0.00 C ATOM 0 H ALA A 69 13.371 7.496 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 69 13.841 10.112 -4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.133 10.329 -6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.395 8.730 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.307 8.899 -6.881 1.00 0.00 H new ATOM 1187 N GLU A 70 11.594 9.923 -6.506 1.00 0.00 N ATOM 1188 CA GLU A 70 10.537 10.700 -7.214 1.00 0.00 C ATOM 1189 C GLU A 70 9.240 10.681 -6.396 1.00 0.00 C ATOM 1190 O GLU A 70 8.689 11.711 -6.059 1.00 0.00 O ATOM 1191 CB GLU A 70 10.288 10.049 -8.578 1.00 0.00 C ATOM 1192 CG GLU A 70 11.463 10.348 -9.514 1.00 0.00 C ATOM 1193 CD GLU A 70 11.312 9.532 -10.799 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.198 9.131 -11.096 1.00 0.00 O ATOM 1195 OE2 GLU A 70 12.312 9.322 -11.465 1.00 0.00 O ATOM 0 H GLU A 70 11.591 8.922 -6.704 1.00 0.00 H new ATOM 0 HA GLU A 70 10.860 11.733 -7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.168 8.972 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.361 10.428 -9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.494 11.412 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.405 10.102 -9.023 1.00 0.00 H new ATOM 1202 N TYR A 71 8.735 9.511 -6.106 1.00 0.00 N ATOM 1203 CA TYR A 71 7.457 9.404 -5.345 1.00 0.00 C ATOM 1204 C TYR A 71 7.667 9.690 -3.855 1.00 0.00 C ATOM 1205 O TYR A 71 6.876 10.371 -3.234 1.00 0.00 O ATOM 1206 CB TYR A 71 6.894 7.995 -5.528 1.00 0.00 C ATOM 1207 CG TYR A 71 6.595 7.763 -6.992 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.362 8.159 -7.524 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.549 7.154 -7.818 1.00 0.00 C ATOM 1210 CE1 TYR A 71 5.083 7.947 -8.879 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.270 6.942 -9.172 1.00 0.00 C ATOM 1212 CZ TYR A 71 6.037 7.338 -9.704 1.00 0.00 C ATOM 1213 OH TYR A 71 5.762 7.128 -11.040 1.00 0.00 O ATOM 0 H TYR A 71 9.157 8.619 -6.366 1.00 0.00 H new ATOM 0 HA TYR A 71 6.757 10.146 -5.728 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.610 7.255 -5.170 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.987 7.874 -4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.626 8.628 -6.888 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.501 6.848 -7.409 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.132 8.253 -9.289 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.006 6.473 -9.808 1.00 0.00 H new ATOM 0 HH TYR A 71 6.531 6.696 -11.468 1.00 0.00 H new ATOM 1223 N GLY A 72 8.714 9.177 -3.268 1.00 0.00 N ATOM 1224 CA GLY A 72 8.949 9.424 -1.809 1.00 0.00 C ATOM 1225 C GLY A 72 8.234 8.338 -1.000 1.00 0.00 C ATOM 1226 O GLY A 72 7.903 7.293 -1.523 1.00 0.00 O ATOM 0 H GLY A 72 9.416 8.599 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.017 9.414 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.577 10.409 -1.529 1.00 0.00 H new ATOM 1230 N PRO A 73 7.995 8.572 0.267 1.00 0.00 N ATOM 1231 CA PRO A 73 7.309 7.578 1.145 1.00 0.00 C ATOM 1232 C PRO A 73 5.876 7.268 0.686 1.00 0.00 C ATOM 1233 O PRO A 73 5.051 6.830 1.464 1.00 0.00 O ATOM 1234 CB PRO A 73 7.315 8.236 2.548 1.00 0.00 C ATOM 1235 CG PRO A 73 8.346 9.327 2.466 1.00 0.00 C ATOM 1236 CD PRO A 73 8.353 9.791 1.007 1.00 0.00 C ATOM 0 HA PRO A 73 7.818 6.614 1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.334 8.639 2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.569 7.512 3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.098 10.150 3.136 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.328 8.959 2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.634 10.592 0.836 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.330 10.171 0.710 1.00 0.00 H new ATOM 1244 N LYS A 74 5.571 7.474 -0.568 1.00 0.00 N ATOM 1245 CA LYS A 74 4.195 7.172 -1.058 1.00 0.00 C ATOM 1246 C LYS A 74 4.124 5.684 -1.389 1.00 0.00 C ATOM 1247 O LYS A 74 4.046 5.295 -2.537 1.00 0.00 O ATOM 1248 CB LYS A 74 3.921 7.996 -2.317 1.00 0.00 C ATOM 1249 CG LYS A 74 3.643 9.453 -1.933 1.00 0.00 C ATOM 1250 CD LYS A 74 3.502 10.297 -3.201 1.00 0.00 C ATOM 1251 CE LYS A 74 3.189 11.745 -2.819 1.00 0.00 C ATOM 1252 NZ LYS A 74 4.302 12.291 -1.993 1.00 0.00 N ATOM 0 H LYS A 74 6.213 7.837 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 74 3.453 7.421 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.777 7.945 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.068 7.583 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.732 9.516 -1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.454 9.838 -1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.423 10.254 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.708 9.896 -3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.058 12.349 -3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.252 11.792 -2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.513 13.264 -2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.023 12.291 -0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.148 11.699 -2.116 1.00 0.00 H new ATOM 1266 N TRP A 75 4.158 4.850 -0.388 1.00 0.00 N ATOM 1267 CA TRP A 75 4.109 3.386 -0.627 1.00 0.00 C ATOM 1268 C TRP A 75 2.845 3.044 -1.405 1.00 0.00 C ATOM 1269 O TRP A 75 2.641 1.925 -1.832 1.00 0.00 O ATOM 1270 CB TRP A 75 4.125 2.655 0.722 1.00 0.00 C ATOM 1271 CG TRP A 75 5.045 3.363 1.674 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.672 3.874 2.868 1.00 0.00 C ATOM 1273 CD2 TRP A 75 6.470 3.652 1.536 1.00 0.00 C ATOM 1274 NE1 TRP A 75 5.777 4.431 3.485 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.906 4.326 2.704 1.00 0.00 C ATOM 1276 CE3 TRP A 75 7.419 3.394 0.532 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 8.232 4.725 2.868 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.752 3.800 0.693 1.00 0.00 C ATOM 1279 CH2 TRP A 75 9.159 4.462 1.857 1.00 0.00 C ATOM 0 H TRP A 75 4.218 5.125 0.592 1.00 0.00 H new ATOM 0 HA TRP A 75 4.975 3.072 -1.210 1.00 0.00 H new ATOM 0 HB2 TRP A 75 3.118 2.616 1.137 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.453 1.625 0.584 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.672 3.851 3.275 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.758 4.867 4.407 1.00 0.00 H new ATOM 0 HE3 TRP A 75 7.120 2.880 -0.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.540 5.233 3.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.471 3.600 -0.088 1.00 0.00 H new ATOM 0 HH2 TRP A 75 10.188 4.769 1.973 1.00 0.00 H new ATOM 1290 N ASN A 76 2.004 4.010 -1.599 1.00 0.00 N ATOM 1291 CA ASN A 76 0.755 3.773 -2.358 1.00 0.00 C ATOM 1292 C ASN A 76 1.111 3.623 -3.836 1.00 0.00 C ATOM 1293 O ASN A 76 0.519 2.843 -4.554 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.183 4.964 -2.155 1.00 0.00 C ATOM 1295 CG ASN A 76 0.603 6.267 -2.309 1.00 0.00 C ATOM 1296 OD1 ASN A 76 1.392 6.617 -1.454 1.00 0.00 O ATOM 1297 ND2 ASN A 76 0.417 7.005 -3.367 1.00 0.00 N ATOM 0 H ASN A 76 2.129 4.964 -1.261 1.00 0.00 H new ATOM 0 HA ASN A 76 0.256 2.868 -2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.995 4.929 -2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.639 4.917 -1.166 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.934 7.877 -3.478 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.246 6.710 -4.084 1.00 0.00 H new ATOM 1304 N LYS A 77 2.094 4.357 -4.291 1.00 0.00 N ATOM 1305 CA LYS A 77 2.521 4.255 -5.716 1.00 0.00 C ATOM 1306 C LYS A 77 3.528 3.112 -5.843 1.00 0.00 C ATOM 1307 O LYS A 77 3.564 2.408 -6.832 1.00 0.00 O ATOM 1308 CB LYS A 77 3.187 5.573 -6.139 1.00 0.00 C ATOM 1309 CG LYS A 77 2.123 6.683 -6.315 1.00 0.00 C ATOM 1310 CD LYS A 77 1.507 6.627 -7.722 1.00 0.00 C ATOM 1311 CE LYS A 77 0.561 7.815 -7.909 1.00 0.00 C ATOM 1312 NZ LYS A 77 1.308 9.084 -7.686 1.00 0.00 N ATOM 0 H LYS A 77 2.622 5.027 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 77 1.659 4.064 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.917 5.876 -5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.730 5.430 -7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.341 6.566 -5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.578 7.660 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.293 6.651 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.965 5.691 -7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.137 7.802 -8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.272 7.743 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.956 9.813 -8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.169 9.401 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.321 8.925 -7.858 1.00 0.00 H new ATOM 1326 N ILE A 78 4.351 2.929 -4.847 1.00 0.00 N ATOM 1327 CA ILE A 78 5.361 1.838 -4.903 1.00 0.00 C ATOM 1328 C ILE A 78 4.651 0.485 -4.832 1.00 0.00 C ATOM 1329 O ILE A 78 4.843 -0.371 -5.664 1.00 0.00 O ATOM 1330 CB ILE A 78 6.323 1.977 -3.715 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.739 3.447 -3.547 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.568 1.117 -3.950 1.00 0.00 C ATOM 1333 CD1 ILE A 78 7.211 4.033 -4.882 1.00 0.00 C ATOM 0 H ILE A 78 4.366 3.490 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 78 5.922 1.904 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 78 5.817 1.640 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.898 4.027 -3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.537 3.522 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.247 1.220 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.274 0.073 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.071 1.445 -4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.501 5.074 -4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.067 3.465 -5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.402 3.977 -5.610 1.00 0.00 H new ATOM 1345 N SER A 79 3.832 0.293 -3.838 1.00 0.00 N ATOM 1346 CA SER A 79 3.102 -1.002 -3.699 1.00 0.00 C ATOM 1347 C SER A 79 2.444 -1.398 -5.025 1.00 0.00 C ATOM 1348 O SER A 79 2.172 -2.557 -5.267 1.00 0.00 O ATOM 1349 CB SER A 79 2.027 -0.869 -2.619 1.00 0.00 C ATOM 1350 OG SER A 79 0.990 -0.019 -3.092 1.00 0.00 O ATOM 0 H SER A 79 3.634 0.980 -3.110 1.00 0.00 H new ATOM 0 HA SER A 79 3.817 -1.775 -3.418 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.623 -1.850 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.460 -0.460 -1.706 1.00 0.00 H new ATOM 0 HG SER A 79 1.183 0.907 -2.836 1.00 0.00 H new ATOM 1356 N LYS A 80 2.177 -0.453 -5.881 1.00 0.00 N ATOM 1357 CA LYS A 80 1.528 -0.788 -7.180 1.00 0.00 C ATOM 1358 C LYS A 80 2.566 -1.409 -8.106 1.00 0.00 C ATOM 1359 O LYS A 80 2.240 -2.075 -9.069 1.00 0.00 O ATOM 1360 CB LYS A 80 0.965 0.484 -7.822 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.289 0.931 -7.066 1.00 0.00 C ATOM 1362 CD LYS A 80 -0.785 2.259 -7.642 1.00 0.00 C ATOM 1363 CE LYS A 80 -1.902 2.818 -6.757 1.00 0.00 C ATOM 1364 NZ LYS A 80 -3.089 1.921 -6.832 1.00 0.00 N ATOM 0 H LYS A 80 2.379 0.536 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 80 0.713 -1.492 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.715 1.275 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.724 0.299 -8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.067 0.172 -7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.066 1.043 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.038 2.972 -7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.151 2.112 -8.658 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.558 2.899 -5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.171 3.823 -7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.890 2.439 -7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.865 1.098 -7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.341 1.599 -5.876 1.00 0.00 H new ATOM 1378 N PHE A 81 3.821 -1.196 -7.822 1.00 0.00 N ATOM 1379 CA PHE A 81 4.896 -1.766 -8.678 1.00 0.00 C ATOM 1380 C PHE A 81 5.260 -3.147 -8.131 1.00 0.00 C ATOM 1381 O PHE A 81 5.936 -3.928 -8.770 1.00 0.00 O ATOM 1382 CB PHE A 81 6.119 -0.832 -8.623 1.00 0.00 C ATOM 1383 CG PHE A 81 5.959 0.295 -9.627 1.00 0.00 C ATOM 1384 CD1 PHE A 81 6.167 0.047 -10.990 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.606 1.582 -9.197 1.00 0.00 C ATOM 1386 CE1 PHE A 81 6.022 1.083 -11.921 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.460 2.617 -10.130 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.668 2.367 -11.491 1.00 0.00 C ATOM 0 H PHE A 81 4.149 -0.647 -7.027 1.00 0.00 H new ATOM 0 HA PHE A 81 4.565 -1.859 -9.712 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.229 -0.422 -7.619 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.027 -1.395 -8.838 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.439 -0.944 -11.323 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.447 1.776 -8.147 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.183 0.891 -12.971 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.187 3.608 -9.799 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.555 3.165 -12.210 1.00 0.00 H new ATOM 1398 N LEU A 82 4.814 -3.440 -6.941 1.00 0.00 N ATOM 1399 CA LEU A 82 5.117 -4.759 -6.304 1.00 0.00 C ATOM 1400 C LEU A 82 3.923 -5.697 -6.501 1.00 0.00 C ATOM 1401 O LEU A 82 4.060 -6.787 -7.017 1.00 0.00 O ATOM 1402 CB LEU A 82 5.357 -4.528 -4.803 1.00 0.00 C ATOM 1403 CG LEU A 82 6.782 -3.978 -4.543 1.00 0.00 C ATOM 1404 CD1 LEU A 82 7.152 -2.879 -5.548 1.00 0.00 C ATOM 1405 CD2 LEU A 82 6.848 -3.386 -3.131 1.00 0.00 C ATOM 0 H LEU A 82 4.244 -2.814 -6.372 1.00 0.00 H new ATOM 0 HA LEU A 82 6.002 -5.208 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.617 -3.826 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.221 -5.464 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 82 7.484 -4.804 -4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.158 -2.516 -5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.118 -3.284 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.444 -2.055 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.850 -2.998 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.123 -2.577 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.618 -4.161 -2.400 1.00 0.00 H new ATOM 1417 N LYS A 83 2.758 -5.283 -6.079 1.00 0.00 N ATOM 1418 CA LYS A 83 1.555 -6.139 -6.220 1.00 0.00 C ATOM 1419 C LYS A 83 1.805 -7.420 -5.449 1.00 0.00 C ATOM 1420 O LYS A 83 1.046 -8.367 -5.522 1.00 0.00 O ATOM 1421 CB LYS A 83 1.295 -6.447 -7.699 1.00 0.00 C ATOM 1422 CG LYS A 83 1.495 -5.171 -8.524 1.00 0.00 C ATOM 1423 CD LYS A 83 0.909 -5.355 -9.924 1.00 0.00 C ATOM 1424 CE LYS A 83 1.027 -4.037 -10.685 1.00 0.00 C ATOM 1425 NZ LYS A 83 0.462 -4.197 -12.055 1.00 0.00 N ATOM 0 H LYS A 83 2.592 -4.378 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 83 0.676 -5.628 -5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.973 -7.227 -8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.281 -6.824 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.014 -4.328 -8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.557 -4.936 -8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.440 -6.146 -10.454 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.135 -5.661 -9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.496 -3.249 -10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.072 -3.733 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.544 -3.298 -12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.987 -4.937 -12.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.540 -4.468 -11.988 1.00 0.00 H new ATOM 1439 N ASN A 84 2.882 -7.441 -4.706 1.00 0.00 N ATOM 1440 CA ASN A 84 3.243 -8.638 -3.898 1.00 0.00 C ATOM 1441 C ASN A 84 3.311 -8.242 -2.423 1.00 0.00 C ATOM 1442 O ASN A 84 3.280 -9.083 -1.545 1.00 0.00 O ATOM 1443 CB ASN A 84 4.603 -9.164 -4.363 1.00 0.00 C ATOM 1444 CG ASN A 84 4.453 -9.820 -5.738 1.00 0.00 C ATOM 1445 OD1 ASN A 84 4.943 -10.910 -5.961 1.00 0.00 O ATOM 1446 ND2 ASN A 84 3.792 -9.197 -6.675 1.00 0.00 N ATOM 0 H ASN A 84 3.537 -6.663 -4.626 1.00 0.00 H new ATOM 0 HA ASN A 84 2.493 -9.419 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.323 -8.347 -4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.991 -9.886 -3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.686 -9.625 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.381 -8.282 -6.487 1.00 0.00 H new ATOM 1453 N ARG A 85 3.391 -6.961 -2.145 1.00 0.00 N ATOM 1454 CA ARG A 85 3.447 -6.481 -0.725 1.00 0.00 C ATOM 1455 C ARG A 85 2.415 -5.382 -0.525 1.00 0.00 C ATOM 1456 O ARG A 85 1.625 -5.087 -1.401 1.00 0.00 O ATOM 1457 CB ARG A 85 4.841 -5.933 -0.415 1.00 0.00 C ATOM 1458 CG ARG A 85 5.895 -7.077 -0.428 1.00 0.00 C ATOM 1459 CD ARG A 85 6.585 -7.162 -1.800 1.00 0.00 C ATOM 1460 NE ARG A 85 7.202 -8.509 -1.961 1.00 0.00 N ATOM 1461 CZ ARG A 85 7.745 -8.847 -3.098 1.00 0.00 C ATOM 1462 NH1 ARG A 85 7.749 -8.005 -4.096 1.00 0.00 N ATOM 1463 NH2 ARG A 85 8.286 -10.027 -3.239 1.00 0.00 N ATOM 0 H ARG A 85 3.420 -6.221 -2.847 1.00 0.00 H new ATOM 0 HA ARG A 85 3.233 -7.314 -0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.111 -5.174 -1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.837 -5.446 0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.639 -6.902 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.412 -8.027 -0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.861 -6.984 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.348 -6.388 -1.884 1.00 0.00 H new ATOM 0 HE ARG A 85 7.200 -9.167 -1.182 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.327 -7.083 -3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.174 -8.270 -4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.284 -10.685 -2.460 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.710 -10.291 -4.128 1.00 0.00 H new ATOM 1477 N SER A 86 2.406 -4.795 0.642 1.00 0.00 N ATOM 1478 CA SER A 86 1.423 -3.726 0.963 1.00 0.00 C ATOM 1479 C SER A 86 2.160 -2.531 1.543 1.00 0.00 C ATOM 1480 O SER A 86 3.279 -2.626 1.999 1.00 0.00 O ATOM 1481 CB SER A 86 0.430 -4.261 1.999 1.00 0.00 C ATOM 1482 OG SER A 86 1.130 -5.051 2.952 1.00 0.00 O ATOM 0 H SER A 86 3.052 -5.018 1.399 1.00 0.00 H new ATOM 0 HA SER A 86 0.890 -3.425 0.061 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.077 -3.434 2.496 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.339 -4.858 1.509 1.00 0.00 H new ATOM 0 HG SER A 86 0.675 -4.997 3.818 1.00 0.00 H new ATOM 1488 N ASP A 87 1.519 -1.413 1.542 1.00 0.00 N ATOM 1489 CA ASP A 87 2.150 -0.192 2.097 1.00 0.00 C ATOM 1490 C ASP A 87 2.479 -0.445 3.564 1.00 0.00 C ATOM 1491 O ASP A 87 3.439 0.070 4.100 1.00 0.00 O ATOM 1492 CB ASP A 87 1.177 0.987 1.973 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.226 0.536 2.380 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.376 0.074 3.500 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -1.126 0.659 1.566 1.00 0.00 O ATOM 0 H ASP A 87 0.575 -1.285 1.178 1.00 0.00 H new ATOM 0 HA ASP A 87 3.062 0.047 1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.504 1.810 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.168 1.359 0.948 1.00 0.00 H new ATOM 1500 N ASN A 88 1.688 -1.252 4.207 1.00 0.00 N ATOM 1501 CA ASN A 88 1.943 -1.566 5.635 1.00 0.00 C ATOM 1502 C ASN A 88 3.235 -2.374 5.739 1.00 0.00 C ATOM 1503 O ASN A 88 3.948 -2.296 6.719 1.00 0.00 O ATOM 1504 CB ASN A 88 0.779 -2.390 6.190 1.00 0.00 C ATOM 1505 CG ASN A 88 0.914 -2.507 7.708 1.00 0.00 C ATOM 1506 OD1 ASN A 88 1.204 -1.537 8.381 1.00 0.00 O ATOM 1507 ND2 ASN A 88 0.715 -3.662 8.281 1.00 0.00 N ATOM 0 H ASN A 88 0.871 -1.710 3.802 1.00 0.00 H new ATOM 0 HA ASN A 88 2.036 -0.643 6.208 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.169 -1.917 5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.773 -3.382 5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.803 -3.751 9.293 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.472 -4.476 7.717 1.00 0.00 H new ATOM 1514 N ASN A 89 3.549 -3.149 4.730 1.00 0.00 N ATOM 1515 CA ASN A 89 4.793 -3.954 4.763 1.00 0.00 C ATOM 1516 C ASN A 89 5.951 -3.064 4.312 1.00 0.00 C ATOM 1517 O ASN A 89 6.989 -3.000 4.934 1.00 0.00 O ATOM 1518 CB ASN A 89 4.618 -5.130 3.795 1.00 0.00 C ATOM 1519 CG ASN A 89 5.596 -6.256 4.140 1.00 0.00 C ATOM 1520 OD1 ASN A 89 5.985 -6.413 5.280 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.009 -7.054 3.196 1.00 0.00 N ATOM 0 H ASN A 89 2.989 -3.254 3.884 1.00 0.00 H new ATOM 0 HA ASN A 89 5.000 -4.332 5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.594 -5.501 3.845 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.786 -4.795 2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.658 -7.810 3.415 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.683 -6.923 2.238 1.00 0.00 H new ATOM 1528 N ILE A 90 5.759 -2.375 3.226 1.00 0.00 N ATOM 1529 CA ILE A 90 6.822 -1.478 2.697 1.00 0.00 C ATOM 1530 C ILE A 90 7.181 -0.438 3.754 1.00 0.00 C ATOM 1531 O ILE A 90 8.308 -0.349 4.195 1.00 0.00 O ATOM 1532 CB ILE A 90 6.289 -0.786 1.441 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.917 -1.858 0.406 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.360 0.139 0.858 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.125 -1.242 -0.750 1.00 0.00 C ATOM 0 H ILE A 90 4.901 -2.394 2.675 1.00 0.00 H new ATOM 0 HA ILE A 90 7.716 -2.052 2.451 1.00 0.00 H new ATOM 0 HB ILE A 90 5.412 -0.192 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.822 -2.330 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.326 -2.641 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.972 0.627 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.629 0.894 1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.243 -0.445 0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.872 -2.018 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.210 -0.792 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.729 -0.477 -1.237 1.00 0.00 H new ATOM 1547 N ARG A 91 6.223 0.338 4.175 1.00 0.00 N ATOM 1548 CA ARG A 91 6.492 1.365 5.220 1.00 0.00 C ATOM 1549 C ARG A 91 7.201 0.698 6.399 1.00 0.00 C ATOM 1550 O ARG A 91 8.002 1.299 7.087 1.00 0.00 O ATOM 1551 CB ARG A 91 5.157 1.945 5.700 1.00 0.00 C ATOM 1552 CG ARG A 91 5.403 3.168 6.594 1.00 0.00 C ATOM 1553 CD ARG A 91 4.124 3.508 7.362 1.00 0.00 C ATOM 1554 NE ARG A 91 4.272 4.841 8.013 1.00 0.00 N ATOM 1555 CZ ARG A 91 4.234 5.927 7.290 1.00 0.00 C ATOM 1556 NH1 ARG A 91 4.066 5.848 5.999 1.00 0.00 N ATOM 1557 NH2 ARG A 91 4.364 7.094 7.861 1.00 0.00 N ATOM 0 H ARG A 91 5.260 0.305 3.839 1.00 0.00 H new ATOM 0 HA ARG A 91 7.117 2.160 4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.546 2.229 4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.600 1.188 6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.215 2.963 7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.712 4.019 5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.271 3.516 6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.925 2.745 8.114 1.00 0.00 H new ATOM 0 HE ARG A 91 4.403 4.904 9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.964 4.936 5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.037 6.698 5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.495 7.156 8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.335 7.944 7.297 1.00 0.00 H new ATOM 1571 N ASN A 92 6.884 -0.540 6.637 1.00 0.00 N ATOM 1572 CA ASN A 92 7.498 -1.279 7.779 1.00 0.00 C ATOM 1573 C ASN A 92 8.902 -1.773 7.415 1.00 0.00 C ATOM 1574 O ASN A 92 9.810 -1.714 8.220 1.00 0.00 O ATOM 1575 CB ASN A 92 6.620 -2.481 8.130 1.00 0.00 C ATOM 1576 CG ASN A 92 7.237 -3.239 9.306 1.00 0.00 C ATOM 1577 OD1 ASN A 92 7.832 -4.282 9.127 1.00 0.00 O ATOM 1578 ND2 ASN A 92 7.119 -2.754 10.513 1.00 0.00 N ATOM 0 H ASN A 92 6.218 -1.081 6.085 1.00 0.00 H new ATOM 0 HA ASN A 92 7.574 -0.603 8.631 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.614 -2.147 8.386 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.527 -3.141 7.267 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.527 -3.251 11.305 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.619 -1.878 10.664 1.00 0.00 H new ATOM 1585 N ARG A 93 9.096 -2.275 6.221 1.00 0.00 N ATOM 1586 CA ARG A 93 10.453 -2.780 5.849 1.00 0.00 C ATOM 1587 C ARG A 93 11.371 -1.582 5.573 1.00 0.00 C ATOM 1588 O ARG A 93 12.527 -1.573 5.946 1.00 0.00 O ATOM 1589 CB ARG A 93 10.359 -3.682 4.596 1.00 0.00 C ATOM 1590 CG ARG A 93 10.038 -5.141 4.982 1.00 0.00 C ATOM 1591 CD ARG A 93 8.571 -5.275 5.396 1.00 0.00 C ATOM 1592 NE ARG A 93 8.332 -6.638 5.950 1.00 0.00 N ATOM 1593 CZ ARG A 93 8.780 -6.951 7.136 1.00 0.00 C ATOM 1594 NH1 ARG A 93 9.438 -6.070 7.838 1.00 0.00 N ATOM 1595 NH2 ARG A 93 8.568 -8.145 7.618 1.00 0.00 N ATOM 0 H ARG A 93 8.383 -2.357 5.496 1.00 0.00 H new ATOM 0 HA ARG A 93 10.862 -3.372 6.668 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.587 -3.301 3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.300 -3.647 4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.246 -5.801 4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.684 -5.457 5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.322 -4.519 6.141 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.923 -5.101 4.537 1.00 0.00 H new ATOM 0 HE ARG A 93 7.818 -7.327 5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.602 -5.137 7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.788 -6.314 8.764 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.053 -8.833 7.068 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.918 -8.391 8.544 1.00 0.00 H new ATOM 1609 N TRP A 94 10.862 -0.574 4.927 1.00 0.00 N ATOM 1610 CA TRP A 94 11.703 0.620 4.632 1.00 0.00 C ATOM 1611 C TRP A 94 12.081 1.315 5.943 1.00 0.00 C ATOM 1612 O TRP A 94 13.207 1.716 6.137 1.00 0.00 O ATOM 1613 CB TRP A 94 10.919 1.592 3.744 1.00 0.00 C ATOM 1614 CG TRP A 94 11.735 2.823 3.503 1.00 0.00 C ATOM 1615 CD1 TRP A 94 11.539 4.016 4.109 1.00 0.00 C ATOM 1616 CD2 TRP A 94 12.872 3.000 2.609 1.00 0.00 C ATOM 1617 NE1 TRP A 94 12.479 4.916 3.641 1.00 0.00 N ATOM 1618 CE2 TRP A 94 13.325 4.338 2.715 1.00 0.00 C ATOM 1619 CE3 TRP A 94 13.548 2.140 1.725 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 14.408 4.805 1.970 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 14.639 2.607 0.973 1.00 0.00 C ATOM 1622 CH2 TRP A 94 15.068 3.937 1.096 1.00 0.00 C ATOM 0 H TRP A 94 9.901 -0.523 4.590 1.00 0.00 H new ATOM 0 HA TRP A 94 12.609 0.307 4.113 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.673 1.115 2.795 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.976 1.857 4.222 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.773 4.231 4.839 1.00 0.00 H new ATOM 0 HE1 TRP A 94 12.540 5.888 3.943 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.226 1.114 1.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.734 5.830 2.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 15.150 1.938 0.296 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.908 4.290 0.516 1.00 0.00 H new ATOM 1633 N MET A 95 11.147 1.464 6.842 1.00 0.00 N ATOM 1634 CA MET A 95 11.460 2.141 8.133 1.00 0.00 C ATOM 1635 C MET A 95 12.413 1.271 8.957 1.00 0.00 C ATOM 1636 O MET A 95 13.215 1.769 9.723 1.00 0.00 O ATOM 1637 CB MET A 95 10.162 2.365 8.918 1.00 0.00 C ATOM 1638 CG MET A 95 10.427 3.302 10.098 1.00 0.00 C ATOM 1639 SD MET A 95 10.719 4.981 9.485 1.00 0.00 S ATOM 1640 CE MET A 95 10.832 5.795 11.096 1.00 0.00 C ATOM 0 H MET A 95 10.183 1.147 6.739 1.00 0.00 H new ATOM 0 HA MET A 95 11.935 3.101 7.931 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.401 2.793 8.266 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.775 1.412 9.278 1.00 0.00 H new ATOM 0 HG2 MET A 95 9.576 3.295 10.779 1.00 0.00 H new ATOM 0 HG3 MET A 95 11.291 2.955 10.664 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.014 6.860 10.953 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.898 5.656 11.640 1.00 0.00 H new ATOM 0 HE3 MET A 95 11.653 5.360 11.667 1.00 0.00 H new ATOM 1650 N MET A 96 12.340 -0.025 8.806 1.00 0.00 N ATOM 1651 CA MET A 96 13.244 -0.922 9.579 1.00 0.00 C ATOM 1652 C MET A 96 14.606 -0.964 8.894 1.00 0.00 C ATOM 1653 O MET A 96 15.637 -1.020 9.535 1.00 0.00 O ATOM 1654 CB MET A 96 12.651 -2.332 9.618 1.00 0.00 C ATOM 1655 CG MET A 96 13.527 -3.231 10.493 1.00 0.00 C ATOM 1656 SD MET A 96 12.695 -4.818 10.750 1.00 0.00 S ATOM 1657 CE MET A 96 14.180 -5.803 11.067 1.00 0.00 C ATOM 0 H MET A 96 11.691 -0.501 8.179 1.00 0.00 H new ATOM 0 HA MET A 96 13.353 -0.547 10.597 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.636 -2.300 10.013 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.588 -2.739 8.609 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.495 -3.388 10.017 1.00 0.00 H new ATOM 0 HG3 MET A 96 13.718 -2.749 11.452 1.00 0.00 H new ATOM 0 HE1 MET A 96 13.896 -6.839 11.255 1.00 0.00 H new ATOM 0 HE2 MET A 96 14.838 -5.759 10.199 1.00 0.00 H new ATOM 0 HE3 MET A 96 14.701 -5.406 11.938 1.00 0.00 H new ATOM 1667 N ILE A 97 14.616 -0.938 7.587 1.00 0.00 N ATOM 1668 CA ILE A 97 15.907 -0.979 6.843 1.00 0.00 C ATOM 1669 C ILE A 97 16.477 0.437 6.739 1.00 0.00 C ATOM 1670 O ILE A 97 17.675 0.629 6.671 1.00 0.00 O ATOM 1671 CB ILE A 97 15.665 -1.544 5.440 1.00 0.00 C ATOM 1672 CG1 ILE A 97 15.172 -2.993 5.556 1.00 0.00 C ATOM 1673 CG2 ILE A 97 16.971 -1.512 4.637 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.649 -3.472 4.199 1.00 0.00 C ATOM 0 H ILE A 97 13.782 -0.890 7.002 1.00 0.00 H new ATOM 0 HA ILE A 97 16.617 -1.615 7.371 1.00 0.00 H new ATOM 0 HB ILE A 97 14.915 -0.940 4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 97 15.984 -3.638 5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.383 -3.060 6.305 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.795 -1.915 3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.323 -0.484 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.725 -2.115 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.300 -4.501 4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.824 -2.835 3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 97 15.450 -3.422 3.462 1.00 0.00 H new ATOM 1686 N ALA A 98 15.630 1.428 6.728 1.00 0.00 N ATOM 1687 CA ALA A 98 16.124 2.830 6.628 1.00 0.00 C ATOM 1688 C ALA A 98 16.709 3.251 7.974 1.00 0.00 C ATOM 1689 O ALA A 98 17.439 4.217 8.071 1.00 0.00 O ATOM 1690 CB ALA A 98 14.968 3.763 6.261 1.00 0.00 C ATOM 0 H ALA A 98 14.616 1.328 6.784 1.00 0.00 H new ATOM 0 HA ALA A 98 16.891 2.891 5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 98 15.335 4.787 6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.547 3.461 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.197 3.707 7.030 1.00 0.00 H new ATOM 1696 N ARG A 99 16.393 2.532 9.017 1.00 0.00 N ATOM 1697 CA ARG A 99 16.928 2.888 10.353 1.00 0.00 C ATOM 1698 C ARG A 99 18.408 2.525 10.393 1.00 0.00 C ATOM 1699 O ARG A 99 19.168 3.041 11.189 1.00 0.00 O ATOM 1700 CB ARG A 99 16.169 2.100 11.427 1.00 0.00 C ATOM 1701 CG ARG A 99 16.582 2.572 12.831 1.00 0.00 C ATOM 1702 CD ARG A 99 16.165 4.041 13.063 1.00 0.00 C ATOM 1703 NE ARG A 99 17.285 4.942 12.671 1.00 0.00 N ATOM 1704 CZ ARG A 99 18.358 5.010 13.411 1.00 0.00 C ATOM 1705 NH1 ARG A 99 18.451 4.290 14.496 1.00 0.00 N ATOM 1706 NH2 ARG A 99 19.338 5.800 13.066 1.00 0.00 N ATOM 0 H ARG A 99 15.786 1.713 8.997 1.00 0.00 H new ATOM 0 HA ARG A 99 16.804 3.955 10.540 1.00 0.00 H new ATOM 0 HB2 ARG A 99 15.095 2.232 11.293 1.00 0.00 H new ATOM 0 HB3 ARG A 99 16.375 1.035 11.319 1.00 0.00 H new ATOM 0 HG2 ARG A 99 16.119 1.935 13.584 1.00 0.00 H new ATOM 0 HG3 ARG A 99 17.661 2.473 12.950 1.00 0.00 H new ATOM 0 HD2 ARG A 99 15.275 4.274 12.479 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.909 4.196 14.111 1.00 0.00 H new ATOM 0 HE ARG A 99 17.213 5.506 11.824 1.00 0.00 H new ATOM 0 HH11 ARG A 99 17.685 3.673 14.766 1.00 0.00 H new ATOM 0 HH12 ARG A 99 19.290 4.344 15.074 1.00 0.00 H new ATOM 0 HH21 ARG A 99 19.265 6.363 12.219 1.00 0.00 H new ATOM 0 HH22 ARG A 99 20.177 5.854 13.644 1.00 0.00 H new