USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 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 69 SER OG : rot -90:sc= 1.04 USER MOD Set 1.2: A 71 THR OG1 : rot -47:sc= 0.361 USER MOD Set 2.1: A 18 ASN : amide:sc= -0.165 K(o=0.0098,f=-2.7!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ -108:sc= 0.175 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -142:sc= 0.2 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0958 K(o=-0.096,f=-0.97) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0598 USER MOD Single : A 16 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -6:sc= -0.146 USER MOD Single : A 37 SER OG : rot -162:sc= -0.168 USER MOD Single : A 38 THR OG1 : rot 150:sc=-0.00475 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -94:sc= -0.314 (180deg=-1.51!) USER MOD Single : A 47 MET CE :methyl -155:sc= 0 (180deg=-0.456) USER MOD Single : A 50 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.05) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.585 USER MOD Single : A 58 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.32) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -113:sc= -1.56 (180deg=-3.69!) USER MOD Single : A 81 MET CE :methyl -124:sc= -4.89 (180deg=-8.77!) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -5.831 8.489 1.142 1.00 0.00 N ATOM 66 CA TYR A 5 -5.405 7.728 -0.038 1.00 0.00 C ATOM 67 C TYR A 5 -6.566 7.594 -1.025 1.00 0.00 C ATOM 68 O TYR A 5 -6.379 7.680 -2.240 1.00 0.00 O ATOM 69 CB TYR A 5 -4.920 6.329 0.358 1.00 0.00 C ATOM 70 CG TYR A 5 -3.616 6.441 1.116 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.401 6.491 0.420 1.00 0.00 C ATOM 72 CD2 TYR A 5 -3.623 6.499 2.515 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.195 6.601 1.125 1.00 0.00 C ATOM 74 CE2 TYR A 5 -2.419 6.608 3.218 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.204 6.659 2.524 1.00 0.00 C ATOM 76 OH TYR A 5 -0.016 6.767 3.218 1.00 0.00 O ATOM 0 HA TYR A 5 -4.583 8.269 -0.506 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.670 5.834 0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.784 5.715 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.394 6.445 -0.659 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.559 6.460 3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.258 6.641 0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.426 6.653 4.297 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.201 6.796 4.180 1.00 0.00 H new ATOM 86 N LYS A 6 -7.772 7.396 -0.480 1.00 0.00 N ATOM 87 CA LYS A 6 -8.973 7.268 -1.305 1.00 0.00 C ATOM 88 C LYS A 6 -9.423 8.645 -1.808 1.00 0.00 C ATOM 89 O LYS A 6 -10.005 8.766 -2.887 1.00 0.00 O ATOM 90 CB LYS A 6 -10.107 6.627 -0.494 1.00 0.00 C ATOM 91 CG LYS A 6 -11.288 6.300 -1.414 1.00 0.00 C ATOM 92 CD LYS A 6 -12.599 6.741 -0.753 1.00 0.00 C ATOM 93 CE LYS A 6 -12.613 8.265 -0.596 1.00 0.00 C ATOM 94 NZ LYS A 6 -13.922 8.805 -1.063 1.00 0.00 N ATOM 0 H LYS A 6 -7.939 7.322 0.523 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.737 6.634 -2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.750 5.718 -0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.428 7.305 0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.165 6.805 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.316 5.230 -1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.448 6.421 -1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.704 6.265 0.222 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.449 8.535 0.447 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.800 8.707 -1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.769 9.706 -1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.367 8.124 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.545 8.962 -0.245 1.00 0.00 H new ATOM 108 N ALA A 7 -9.142 9.683 -1.012 1.00 0.00 N ATOM 109 CA ALA A 7 -9.515 11.049 -1.380 1.00 0.00 C ATOM 110 C ALA A 7 -8.672 11.560 -2.554 1.00 0.00 C ATOM 111 O ALA A 7 -9.098 12.455 -3.277 1.00 0.00 O ATOM 112 CB ALA A 7 -9.335 11.995 -0.191 1.00 0.00 C ATOM 0 H ALA A 7 -8.661 9.602 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.563 11.029 -1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.617 13.006 -0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.967 11.667 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.292 11.987 0.126 1.00 0.00 H new ATOM 118 N ALA A 8 -7.476 10.986 -2.735 1.00 0.00 N ATOM 119 CA ALA A 8 -6.595 11.401 -3.831 1.00 0.00 C ATOM 120 C ALA A 8 -6.940 10.656 -5.121 1.00 0.00 C ATOM 121 O ALA A 8 -7.007 11.257 -6.194 1.00 0.00 O ATOM 122 CB ALA A 8 -5.136 11.123 -3.478 1.00 0.00 C ATOM 0 H ALA A 8 -7.101 10.243 -2.145 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.740 12.471 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.496 11.437 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.867 11.677 -2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.002 10.056 -3.300 1.00 0.00 H new ATOM 128 N VAL A 9 -7.149 9.339 -5.003 1.00 0.00 N ATOM 129 CA VAL A 9 -7.479 8.513 -6.170 1.00 0.00 C ATOM 130 C VAL A 9 -8.793 8.975 -6.818 1.00 0.00 C ATOM 131 O VAL A 9 -8.976 8.832 -8.029 1.00 0.00 O ATOM 132 CB VAL A 9 -7.582 7.027 -5.780 1.00 0.00 C ATOM 133 CG1 VAL A 9 -8.788 6.797 -4.865 1.00 0.00 C ATOM 134 CG2 VAL A 9 -7.731 6.174 -7.044 1.00 0.00 C ATOM 0 H VAL A 9 -7.096 8.828 -4.122 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.673 8.630 -6.894 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.675 6.741 -5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.847 5.742 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.677 7.394 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.700 7.091 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.804 5.122 -6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.633 6.471 -7.579 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.863 6.321 -7.686 1.00 0.00 H new ATOM 144 N GLU A 10 -9.699 9.537 -6.006 1.00 0.00 N ATOM 145 CA GLU A 10 -10.979 10.018 -6.524 1.00 0.00 C ATOM 146 C GLU A 10 -10.803 11.325 -7.312 1.00 0.00 C ATOM 147 O GLU A 10 -11.655 11.680 -8.129 1.00 0.00 O ATOM 148 CB GLU A 10 -11.977 10.239 -5.380 1.00 0.00 C ATOM 149 CG GLU A 10 -11.475 11.342 -4.444 1.00 0.00 C ATOM 150 CD GLU A 10 -12.634 11.875 -3.608 1.00 0.00 C ATOM 151 OE1 GLU A 10 -12.863 11.335 -2.538 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.273 12.815 -4.049 1.00 0.00 O ATOM 0 H GLU A 10 -9.569 9.667 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.368 9.254 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.951 10.512 -5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.112 9.312 -4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.694 10.951 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.031 12.151 -5.025 1.00 0.00 H new ATOM 159 N GLN A 11 -9.687 12.033 -7.073 1.00 0.00 N ATOM 160 CA GLN A 11 -9.426 13.290 -7.788 1.00 0.00 C ATOM 161 C GLN A 11 -8.793 13.010 -9.151 1.00 0.00 C ATOM 162 O GLN A 11 -8.871 13.835 -10.065 1.00 0.00 O ATOM 163 CB GLN A 11 -8.481 14.203 -6.995 1.00 0.00 C ATOM 164 CG GLN A 11 -8.774 14.078 -5.501 1.00 0.00 C ATOM 165 CD GLN A 11 -8.272 15.317 -4.761 1.00 0.00 C ATOM 166 OE1 GLN A 11 -8.405 16.440 -5.248 1.00 0.00 O ATOM 167 NE2 GLN A 11 -7.701 15.179 -3.593 1.00 0.00 N ATOM 0 H GLN A 11 -8.966 11.763 -6.404 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.386 13.790 -7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.445 13.931 -7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.607 15.238 -7.314 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.846 13.959 -5.342 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.291 13.186 -5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.589 14.250 -3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.367 16.000 -3.088 1.00 0.00 H new ATOM 176 N LEU A 12 -8.159 11.840 -9.265 1.00 0.00 N ATOM 177 CA LEU A 12 -7.495 11.433 -10.507 1.00 0.00 C ATOM 178 C LEU A 12 -8.420 11.563 -11.715 1.00 0.00 C ATOM 179 O LEU A 12 -9.642 11.425 -11.606 1.00 0.00 O ATOM 180 CB LEU A 12 -7.036 9.975 -10.421 1.00 0.00 C ATOM 181 CG LEU A 12 -6.005 9.661 -9.333 1.00 0.00 C ATOM 182 CD1 LEU A 12 -5.262 8.376 -9.704 1.00 0.00 C ATOM 183 CD2 LEU A 12 -5.004 10.815 -9.212 1.00 0.00 C ATOM 0 H LEU A 12 -8.091 11.156 -8.511 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.640 12.097 -10.634 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.912 9.348 -10.256 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.616 9.689 -11.385 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.514 9.532 -8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.526 8.146 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.974 7.554 -9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.756 8.511 -10.660 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.274 10.584 -8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.491 10.953 -10.164 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.534 11.731 -8.950 1.00 0.00 H new ATOM 195 N THR A 13 -7.807 11.806 -12.872 1.00 0.00 N ATOM 196 CA THR A 13 -8.555 11.931 -14.124 1.00 0.00 C ATOM 197 C THR A 13 -8.629 10.582 -14.827 1.00 0.00 C ATOM 198 O THR A 13 -7.948 9.628 -14.442 1.00 0.00 O ATOM 199 CB THR A 13 -7.883 12.935 -15.077 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.531 13.148 -14.691 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.647 14.255 -15.061 1.00 0.00 C ATOM 0 H THR A 13 -6.798 11.920 -12.970 1.00 0.00 H new ATOM 0 HA THR A 13 -9.555 12.285 -13.873 1.00 0.00 H new ATOM 0 HB THR A 13 -7.898 12.528 -16.088 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.112 13.787 -15.305 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.166 14.962 -15.738 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.674 14.085 -15.384 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.647 14.663 -14.050 1.00 0.00 H new ATOM 209 N ASP A 14 -9.442 10.521 -15.882 1.00 0.00 N ATOM 210 CA ASP A 14 -9.570 9.289 -16.657 1.00 0.00 C ATOM 211 C ASP A 14 -8.215 8.927 -17.263 1.00 0.00 C ATOM 212 O ASP A 14 -7.882 7.750 -17.403 1.00 0.00 O ATOM 213 CB ASP A 14 -10.591 9.458 -17.784 1.00 0.00 C ATOM 214 CG ASP A 14 -11.236 8.110 -18.099 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.210 7.774 -17.445 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.746 7.434 -18.989 1.00 0.00 O ATOM 0 H ASP A 14 -10.013 11.298 -16.215 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.910 8.496 -15.990 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.355 10.178 -17.491 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.103 9.855 -18.674 1.00 0.00 H new ATOM 221 N GLU A 15 -7.432 9.961 -17.602 1.00 0.00 N ATOM 222 CA GLU A 15 -6.102 9.756 -18.175 1.00 0.00 C ATOM 223 C GLU A 15 -5.169 9.121 -17.142 1.00 0.00 C ATOM 224 O GLU A 15 -4.378 8.238 -17.472 1.00 0.00 O ATOM 225 CB GLU A 15 -5.500 11.088 -18.634 1.00 0.00 C ATOM 226 CG GLU A 15 -6.045 11.449 -20.018 1.00 0.00 C ATOM 227 CD GLU A 15 -5.317 12.681 -20.546 1.00 0.00 C ATOM 228 OE1 GLU A 15 -5.785 13.778 -20.286 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.304 12.511 -21.203 1.00 0.00 O ATOM 0 H GLU A 15 -7.698 10.939 -17.489 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.206 9.091 -19.033 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.744 11.874 -17.920 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.413 11.015 -18.668 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.910 10.612 -20.703 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.116 11.644 -19.959 1.00 0.00 H new ATOM 236 N GLN A 16 -5.281 9.577 -15.885 1.00 0.00 N ATOM 237 CA GLN A 16 -4.450 9.043 -14.797 1.00 0.00 C ATOM 238 C GLN A 16 -4.710 7.549 -14.617 1.00 0.00 C ATOM 239 O GLN A 16 -3.779 6.742 -14.597 1.00 0.00 O ATOM 240 CB GLN A 16 -4.746 9.767 -13.480 1.00 0.00 C ATOM 241 CG GLN A 16 -3.506 9.725 -12.578 1.00 0.00 C ATOM 242 CD GLN A 16 -2.980 11.141 -12.347 1.00 0.00 C ATOM 243 OE1 GLN A 16 -2.645 11.507 -11.220 1.00 0.00 O ATOM 244 NE2 GLN A 16 -2.883 11.969 -13.354 1.00 0.00 N ATOM 0 H GLN A 16 -5.933 10.308 -15.599 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.405 9.203 -15.064 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.029 10.801 -13.678 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.590 9.296 -12.976 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.756 9.261 -11.624 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.732 9.111 -13.038 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.159 11.669 -14.289 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.531 12.915 -13.205 1.00 0.00 H new ATOM 253 N LYS A 17 -5.991 7.192 -14.504 1.00 0.00 N ATOM 254 CA LYS A 17 -6.374 5.788 -14.349 1.00 0.00 C ATOM 255 C LYS A 17 -5.960 4.995 -15.591 1.00 0.00 C ATOM 256 O LYS A 17 -5.555 3.838 -15.493 1.00 0.00 O ATOM 257 CB LYS A 17 -7.887 5.655 -14.154 1.00 0.00 C ATOM 258 CG LYS A 17 -8.297 6.295 -12.823 1.00 0.00 C ATOM 259 CD LYS A 17 -9.724 6.839 -12.932 1.00 0.00 C ATOM 260 CE LYS A 17 -10.725 5.696 -12.738 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.115 6.232 -12.810 1.00 0.00 N ATOM 0 H LYS A 17 -6.772 7.847 -14.517 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.866 5.393 -13.469 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.413 6.138 -14.978 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.173 4.603 -14.166 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.238 5.559 -12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.608 7.101 -12.568 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.888 7.611 -12.180 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.873 7.305 -13.906 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.577 4.935 -13.505 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.560 5.214 -11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.794 5.455 -12.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.252 6.942 -12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.269 6.673 -13.739 1.00 0.00 H new ATOM 275 N ASN A 18 -6.057 5.644 -16.761 1.00 0.00 N ATOM 276 CA ASN A 18 -5.683 5.008 -18.029 1.00 0.00 C ATOM 277 C ASN A 18 -4.189 4.671 -18.063 1.00 0.00 C ATOM 278 O ASN A 18 -3.785 3.698 -18.701 1.00 0.00 O ATOM 279 CB ASN A 18 -6.005 5.928 -19.214 1.00 0.00 C ATOM 280 CG ASN A 18 -7.482 5.806 -19.594 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.128 4.797 -19.306 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.059 6.787 -20.232 1.00 0.00 N ATOM 0 H ASN A 18 -6.390 6.604 -16.853 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.261 4.087 -18.108 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.773 6.961 -18.955 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.380 5.666 -20.067 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.043 6.718 -20.491 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.526 7.623 -20.471 1.00 0.00 H new ATOM 289 N GLU A 19 -3.371 5.484 -17.377 1.00 0.00 N ATOM 290 CA GLU A 19 -1.918 5.246 -17.345 1.00 0.00 C ATOM 291 C GLU A 19 -1.632 3.838 -16.834 1.00 0.00 C ATOM 292 O GLU A 19 -0.899 3.071 -17.461 1.00 0.00 O ATOM 293 CB GLU A 19 -1.195 6.239 -16.421 1.00 0.00 C ATOM 294 CG GLU A 19 -1.675 7.665 -16.692 1.00 0.00 C ATOM 295 CD GLU A 19 -0.520 8.642 -16.501 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.212 8.859 -17.453 1.00 0.00 O ATOM 297 OE2 GLU A 19 -0.385 9.163 -15.405 1.00 0.00 O ATOM 0 H GLU A 19 -3.682 6.297 -16.846 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.552 5.375 -18.364 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.381 5.978 -15.379 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.118 6.175 -16.579 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.064 7.741 -17.707 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.493 7.918 -16.017 1.00 0.00 H new ATOM 304 N PHE A 20 -2.226 3.515 -15.684 1.00 0.00 N ATOM 305 CA PHE A 20 -2.040 2.201 -15.075 1.00 0.00 C ATOM 306 C PHE A 20 -2.917 1.153 -15.759 1.00 0.00 C ATOM 307 O PHE A 20 -2.469 0.042 -16.021 1.00 0.00 O ATOM 308 CB PHE A 20 -2.394 2.251 -13.592 1.00 0.00 C ATOM 309 CG PHE A 20 -1.267 2.895 -12.824 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.220 4.289 -12.684 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.274 2.099 -12.243 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.180 4.882 -11.959 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.765 2.690 -11.520 1.00 0.00 C ATOM 314 CZ PHE A 20 0.812 4.083 -11.374 1.00 0.00 C ATOM 0 H PHE A 20 -2.836 4.142 -15.160 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.993 1.924 -15.196 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.315 2.815 -13.447 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.574 1.244 -13.217 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.985 4.904 -13.135 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.311 1.025 -12.354 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.142 5.956 -11.850 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.532 2.074 -11.074 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.612 4.541 -10.811 1.00 0.00 H new ATOM 324 N LYS A 21 -4.172 1.521 -16.039 1.00 0.00 N ATOM 325 CA LYS A 21 -5.116 0.602 -16.689 1.00 0.00 C ATOM 326 C LYS A 21 -4.536 0.041 -17.992 1.00 0.00 C ATOM 327 O LYS A 21 -4.762 -1.122 -18.325 1.00 0.00 O ATOM 328 CB LYS A 21 -6.440 1.316 -16.982 1.00 0.00 C ATOM 329 CG LYS A 21 -7.456 0.325 -17.562 1.00 0.00 C ATOM 330 CD LYS A 21 -7.735 0.671 -19.027 1.00 0.00 C ATOM 331 CE LYS A 21 -8.949 1.600 -19.114 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.077 2.128 -20.504 1.00 0.00 N ATOM 0 H LYS A 21 -4.557 2.442 -15.828 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.296 -0.227 -16.005 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.834 1.759 -16.067 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.274 2.132 -17.685 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.071 -0.692 -17.485 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.382 0.360 -16.987 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.863 1.153 -19.470 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.920 -0.239 -19.597 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.854 1.060 -18.835 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.840 2.425 -18.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.813 3.134 -20.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.447 1.595 -21.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.060 2.023 -20.826 1.00 0.00 H new ATOM 346 N ALA A 22 -3.776 0.870 -18.717 1.00 0.00 N ATOM 347 CA ALA A 22 -3.157 0.433 -19.971 1.00 0.00 C ATOM 348 C ALA A 22 -2.206 -0.735 -19.707 1.00 0.00 C ATOM 349 O ALA A 22 -2.321 -1.799 -20.319 1.00 0.00 O ATOM 350 CB ALA A 22 -2.369 1.577 -20.612 1.00 0.00 C ATOM 0 H ALA A 22 -3.577 1.837 -18.460 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.951 0.119 -20.649 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.917 1.231 -21.542 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.041 2.409 -20.822 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.586 1.907 -19.929 1.00 0.00 H new ATOM 356 N ALA A 23 -1.280 -0.524 -18.765 1.00 0.00 N ATOM 357 CA ALA A 23 -0.317 -1.559 -18.387 1.00 0.00 C ATOM 358 C ALA A 23 -1.041 -2.725 -17.716 1.00 0.00 C ATOM 359 O ALA A 23 -0.675 -3.885 -17.886 1.00 0.00 O ATOM 360 CB ALA A 23 0.719 -0.994 -17.410 1.00 0.00 C ATOM 0 H ALA A 23 -1.179 0.352 -18.253 1.00 0.00 H new ATOM 0 HA ALA A 23 0.186 -1.904 -19.290 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.428 -1.776 -17.139 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.252 -0.169 -17.882 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.215 -0.634 -16.513 1.00 0.00 H new ATOM 366 N PHE A 24 -2.080 -2.391 -16.955 1.00 0.00 N ATOM 367 CA PHE A 24 -2.871 -3.397 -16.253 1.00 0.00 C ATOM 368 C PHE A 24 -3.534 -4.354 -17.245 1.00 0.00 C ATOM 369 O PHE A 24 -3.514 -5.568 -17.058 1.00 0.00 O ATOM 370 CB PHE A 24 -3.962 -2.718 -15.416 1.00 0.00 C ATOM 371 CG PHE A 24 -4.451 -3.664 -14.347 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.396 -4.646 -14.660 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.958 -3.557 -13.044 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.847 -5.523 -13.669 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.407 -4.432 -12.053 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.353 -5.416 -12.364 1.00 0.00 C ATOM 0 H PHE A 24 -2.394 -1.431 -16.809 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.200 -3.960 -15.604 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.569 -1.810 -14.959 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.791 -2.419 -16.057 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.777 -4.727 -15.667 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.229 -2.797 -12.803 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.576 -6.282 -13.910 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.024 -4.350 -11.046 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.701 -6.092 -11.597 1.00 0.00 H new ATOM 386 N ASP A 25 -4.133 -3.787 -18.294 1.00 0.00 N ATOM 387 CA ASP A 25 -4.827 -4.586 -19.310 1.00 0.00 C ATOM 388 C ASP A 25 -3.887 -5.553 -20.036 1.00 0.00 C ATOM 389 O ASP A 25 -4.287 -6.664 -20.385 1.00 0.00 O ATOM 390 CB ASP A 25 -5.490 -3.670 -20.346 1.00 0.00 C ATOM 391 CG ASP A 25 -6.949 -3.436 -19.961 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.183 -2.689 -19.024 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.810 -4.007 -20.608 1.00 0.00 O ATOM 0 H ASP A 25 -4.153 -2.781 -18.463 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.580 -5.173 -18.784 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.960 -2.719 -20.398 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.432 -4.122 -21.336 1.00 0.00 H new ATOM 398 N ILE A 26 -2.646 -5.122 -20.277 1.00 0.00 N ATOM 399 CA ILE A 26 -1.678 -5.971 -20.987 1.00 0.00 C ATOM 400 C ILE A 26 -1.053 -7.023 -20.062 1.00 0.00 C ATOM 401 O ILE A 26 -0.823 -8.160 -20.480 1.00 0.00 O ATOM 402 CB ILE A 26 -0.563 -5.125 -21.630 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.117 -4.248 -20.569 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.171 -4.234 -22.716 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.310 -3.512 -21.181 1.00 0.00 C ATOM 0 H ILE A 26 -2.290 -4.208 -19.998 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.232 -6.488 -21.770 1.00 0.00 H new ATOM 0 HB ILE A 26 0.182 -5.789 -22.068 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.597 -3.529 -20.168 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.450 -4.865 -19.735 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.386 -3.633 -23.175 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.642 -4.857 -23.476 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.918 -3.577 -22.271 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.785 -2.893 -20.420 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.030 -4.238 -21.560 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.967 -2.880 -22.000 1.00 0.00 H new ATOM 417 N PHE A 27 -0.773 -6.641 -18.812 1.00 0.00 N ATOM 418 CA PHE A 27 -0.165 -7.576 -17.858 1.00 0.00 C ATOM 419 C PHE A 27 -1.170 -8.634 -17.390 1.00 0.00 C ATOM 420 O PHE A 27 -0.805 -9.796 -17.198 1.00 0.00 O ATOM 421 CB PHE A 27 0.402 -6.830 -16.643 1.00 0.00 C ATOM 422 CG PHE A 27 1.619 -6.036 -17.070 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.633 -6.649 -17.820 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.724 -4.681 -16.735 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.745 -5.910 -18.230 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.835 -3.942 -17.150 1.00 0.00 C ATOM 427 CZ PHE A 27 3.846 -4.557 -17.896 1.00 0.00 C ATOM 0 H PHE A 27 -0.953 -5.708 -18.441 1.00 0.00 H new ATOM 0 HA PHE A 27 0.650 -8.080 -18.378 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.353 -6.164 -16.225 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.671 -7.538 -15.860 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.554 -7.694 -18.081 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.946 -4.206 -16.155 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.527 -6.384 -18.805 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.913 -2.896 -16.895 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.705 -3.985 -18.214 1.00 0.00 H new ATOM 437 N ILE A 28 -2.437 -8.236 -17.218 1.00 0.00 N ATOM 438 CA ILE A 28 -3.469 -9.190 -16.784 1.00 0.00 C ATOM 439 C ILE A 28 -4.134 -9.881 -17.986 1.00 0.00 C ATOM 440 O ILE A 28 -4.943 -10.794 -17.807 1.00 0.00 O ATOM 441 CB ILE A 28 -4.554 -8.506 -15.930 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.448 -7.617 -16.809 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.899 -7.654 -14.842 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.666 -8.418 -17.277 1.00 0.00 C ATOM 0 H ILE A 28 -2.769 -7.283 -17.368 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.962 -9.939 -16.175 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.169 -9.278 -15.467 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.770 -6.740 -16.248 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.885 -7.255 -17.670 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.672 -7.173 -14.242 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.286 -8.289 -14.203 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.272 -6.892 -15.305 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.299 -7.787 -17.900 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.334 -9.281 -17.854 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.233 -8.758 -16.410 1.00 0.00 H new ATOM 456 N GLN A 29 -3.786 -9.441 -19.207 1.00 0.00 N ATOM 457 CA GLN A 29 -4.357 -10.026 -20.427 1.00 0.00 C ATOM 458 C GLN A 29 -4.220 -11.552 -20.420 1.00 0.00 C ATOM 459 O GLN A 29 -5.160 -12.272 -20.762 1.00 0.00 O ATOM 460 CB GLN A 29 -3.648 -9.471 -21.669 1.00 0.00 C ATOM 461 CG GLN A 29 -4.259 -10.085 -22.931 1.00 0.00 C ATOM 462 CD GLN A 29 -3.795 -9.309 -24.159 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.930 -9.772 -24.902 1.00 0.00 O ATOM 464 NE2 GLN A 29 -4.322 -8.143 -24.421 1.00 0.00 N ATOM 0 H GLN A 29 -3.118 -8.689 -19.373 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.414 -9.761 -20.456 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.743 -8.386 -21.699 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.583 -9.697 -21.622 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.964 -11.131 -23.017 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.347 -10.065 -22.866 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.039 -7.758 -23.806 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.017 -7.618 -25.240 1.00 0.00 H new ATOM 473 N ASP A 30 -3.037 -12.030 -20.031 1.00 0.00 N ATOM 474 CA ASP A 30 -2.774 -13.471 -19.983 1.00 0.00 C ATOM 475 C ASP A 30 -2.881 -14.014 -18.551 1.00 0.00 C ATOM 476 O ASP A 30 -2.324 -15.069 -18.234 1.00 0.00 O ATOM 477 CB ASP A 30 -1.373 -13.768 -20.533 1.00 0.00 C ATOM 478 CG ASP A 30 -1.349 -13.517 -22.039 1.00 0.00 C ATOM 479 OD1 ASP A 30 -1.172 -12.374 -22.427 1.00 0.00 O ATOM 480 OD2 ASP A 30 -1.510 -14.471 -22.781 1.00 0.00 O ATOM 0 H ASP A 30 -2.250 -11.446 -19.746 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.527 -13.965 -20.597 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.636 -13.137 -20.037 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.100 -14.802 -20.322 1.00 0.00 H new ATOM 485 N ALA A 31 -3.613 -13.295 -17.691 1.00 0.00 N ATOM 486 CA ALA A 31 -3.793 -13.722 -16.303 1.00 0.00 C ATOM 487 C ALA A 31 -5.144 -14.412 -16.131 1.00 0.00 C ATOM 488 O ALA A 31 -6.105 -14.117 -16.845 1.00 0.00 O ATOM 489 CB ALA A 31 -3.721 -12.524 -15.353 1.00 0.00 C ATOM 0 H ALA A 31 -4.085 -12.423 -17.931 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.991 -14.420 -16.062 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.857 -12.865 -14.327 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.748 -12.042 -15.449 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.506 -11.811 -15.606 1.00 0.00 H new ATOM 495 N GLU A 32 -5.202 -15.330 -15.167 1.00 0.00 N ATOM 496 CA GLU A 32 -6.439 -16.063 -14.886 1.00 0.00 C ATOM 497 C GLU A 32 -7.059 -15.574 -13.573 1.00 0.00 C ATOM 498 O GLU A 32 -7.485 -16.371 -12.732 1.00 0.00 O ATOM 499 CB GLU A 32 -6.159 -17.570 -14.792 1.00 0.00 C ATOM 500 CG GLU A 32 -5.733 -18.102 -16.165 1.00 0.00 C ATOM 501 CD GLU A 32 -4.661 -19.173 -15.988 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.496 -18.814 -15.926 1.00 0.00 O ATOM 503 OE2 GLU A 32 -5.019 -20.338 -15.919 1.00 0.00 O ATOM 0 H GLU A 32 -4.414 -15.584 -14.571 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.138 -15.881 -15.702 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.375 -17.759 -14.059 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.050 -18.095 -14.448 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.594 -18.518 -16.688 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.350 -17.287 -16.779 1.00 0.00 H new ATOM 510 N ASP A 33 -7.098 -14.248 -13.409 1.00 0.00 N ATOM 511 CA ASP A 33 -7.660 -13.649 -12.194 1.00 0.00 C ATOM 512 C ASP A 33 -8.059 -12.190 -12.431 1.00 0.00 C ATOM 513 O ASP A 33 -9.154 -11.767 -12.057 1.00 0.00 O ATOM 514 CB ASP A 33 -6.640 -13.709 -11.053 1.00 0.00 C ATOM 515 CG ASP A 33 -7.369 -13.691 -9.712 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.702 -14.761 -9.227 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.582 -12.610 -9.189 1.00 0.00 O ATOM 0 H ASP A 33 -6.752 -13.576 -14.093 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.549 -14.219 -11.925 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.037 -14.613 -11.138 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.956 -12.862 -11.118 1.00 0.00 H new ATOM 522 N GLY A 34 -7.152 -11.428 -13.048 1.00 0.00 N ATOM 523 CA GLY A 34 -7.403 -10.013 -13.327 1.00 0.00 C ATOM 524 C GLY A 34 -6.487 -9.123 -12.487 1.00 0.00 C ATOM 525 O GLY A 34 -6.913 -8.090 -11.966 1.00 0.00 O ATOM 0 H GLY A 34 -6.242 -11.765 -13.362 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.241 -9.812 -14.386 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.445 -9.775 -13.113 1.00 0.00 H new ATOM 529 N CYS A 35 -5.222 -9.542 -12.365 1.00 0.00 N ATOM 530 CA CYS A 35 -4.231 -8.792 -11.591 1.00 0.00 C ATOM 531 C CYS A 35 -2.852 -8.946 -12.230 1.00 0.00 C ATOM 532 O CYS A 35 -2.544 -9.982 -12.826 1.00 0.00 O ATOM 533 CB CYS A 35 -4.163 -9.308 -10.150 1.00 0.00 C ATOM 534 SG CYS A 35 -5.794 -9.200 -9.377 1.00 0.00 S ATOM 0 H CYS A 35 -4.863 -10.396 -12.792 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.529 -7.744 -11.584 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.815 -10.341 -10.141 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.442 -8.723 -9.579 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.614 -8.588 -10.178 1.00 0.00 H new ATOM 540 N ILE A 36 -2.020 -7.911 -12.096 1.00 0.00 N ATOM 541 CA ILE A 36 -0.670 -7.961 -12.667 1.00 0.00 C ATOM 542 C ILE A 36 0.262 -8.737 -11.734 1.00 0.00 C ATOM 543 O ILE A 36 -0.075 -8.998 -10.578 1.00 0.00 O ATOM 544 CB ILE A 36 -0.099 -6.548 -12.923 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.435 -5.936 -11.619 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.189 -5.638 -13.503 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.967 -6.020 -11.602 1.00 0.00 C ATOM 0 H ILE A 36 -2.249 -7.045 -11.608 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.737 -8.470 -13.628 1.00 0.00 H new ATOM 0 HB ILE A 36 0.721 -6.635 -13.636 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.117 -4.897 -11.536 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.022 -6.466 -10.761 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.777 -4.644 -13.680 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.548 -6.055 -14.444 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.017 -5.567 -12.798 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.345 -5.586 -10.677 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.275 -7.064 -11.665 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.371 -5.470 -12.452 1.00 0.00 H new ATOM 559 N SER A 37 1.432 -9.105 -12.250 1.00 0.00 N ATOM 560 CA SER A 37 2.401 -9.855 -11.453 1.00 0.00 C ATOM 561 C SER A 37 3.276 -8.907 -10.635 1.00 0.00 C ATOM 562 O SER A 37 4.112 -8.185 -11.185 1.00 0.00 O ATOM 563 CB SER A 37 3.293 -10.710 -12.360 1.00 0.00 C ATOM 564 OG SER A 37 3.511 -11.974 -11.747 1.00 0.00 O ATOM 0 H SER A 37 1.730 -8.900 -13.204 1.00 0.00 H new ATOM 0 HA SER A 37 1.847 -10.504 -10.775 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.821 -10.842 -13.334 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.245 -10.207 -12.532 1.00 0.00 H new ATOM 0 HG SER A 37 4.284 -12.410 -12.162 1.00 0.00 H new ATOM 570 N THR A 38 3.076 -8.923 -9.310 1.00 0.00 N ATOM 571 CA THR A 38 3.858 -8.068 -8.403 1.00 0.00 C ATOM 572 C THR A 38 5.355 -8.295 -8.620 1.00 0.00 C ATOM 573 O THR A 38 6.145 -7.352 -8.611 1.00 0.00 O ATOM 574 CB THR A 38 3.522 -8.365 -6.935 1.00 0.00 C ATOM 575 OG1 THR A 38 3.764 -9.739 -6.657 1.00 0.00 O ATOM 576 CG2 THR A 38 2.052 -8.041 -6.667 1.00 0.00 C ATOM 0 H THR A 38 2.386 -9.513 -8.844 1.00 0.00 H new ATOM 0 HA THR A 38 3.602 -7.032 -8.625 1.00 0.00 H new ATOM 0 HB THR A 38 4.151 -7.749 -6.292 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.021 -9.842 -5.717 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.817 -8.253 -5.624 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.868 -6.987 -6.873 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.421 -8.652 -7.313 1.00 0.00 H new ATOM 584 N LYS A 39 5.728 -9.561 -8.829 1.00 0.00 N ATOM 585 CA LYS A 39 7.133 -9.911 -9.068 1.00 0.00 C ATOM 586 C LYS A 39 7.662 -9.180 -10.306 1.00 0.00 C ATOM 587 O LYS A 39 8.841 -8.826 -10.375 1.00 0.00 O ATOM 588 CB LYS A 39 7.293 -11.427 -9.267 1.00 0.00 C ATOM 589 CG LYS A 39 6.485 -11.888 -10.486 1.00 0.00 C ATOM 590 CD LYS A 39 6.393 -13.416 -10.501 1.00 0.00 C ATOM 591 CE LYS A 39 7.516 -13.992 -11.368 1.00 0.00 C ATOM 592 NZ LYS A 39 7.285 -15.450 -11.581 1.00 0.00 N ATOM 0 H LYS A 39 5.086 -10.353 -8.838 1.00 0.00 H new ATOM 0 HA LYS A 39 7.707 -9.606 -8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.346 -11.674 -9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.955 -11.956 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.485 -11.455 -10.456 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.958 -11.534 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.469 -13.805 -9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.424 -13.728 -10.890 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.551 -13.475 -12.327 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.480 -13.833 -10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.048 -15.840 -12.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.273 -15.937 -10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.372 -15.591 -12.059 1.00 0.00 H new ATOM 606 N GLU A 40 6.769 -8.947 -11.276 1.00 0.00 N ATOM 607 CA GLU A 40 7.139 -8.247 -12.504 1.00 0.00 C ATOM 608 C GLU A 40 6.648 -6.791 -12.475 1.00 0.00 C ATOM 609 O GLU A 40 6.369 -6.201 -13.520 1.00 0.00 O ATOM 610 CB GLU A 40 6.539 -8.960 -13.721 1.00 0.00 C ATOM 611 CG GLU A 40 7.311 -10.256 -13.990 1.00 0.00 C ATOM 612 CD GLU A 40 6.361 -11.312 -14.549 1.00 0.00 C ATOM 613 OE1 GLU A 40 6.141 -11.305 -15.750 1.00 0.00 O ATOM 614 OE2 GLU A 40 5.871 -12.113 -13.771 1.00 0.00 O ATOM 0 H GLU A 40 5.791 -9.233 -11.231 1.00 0.00 H new ATOM 0 HA GLU A 40 8.226 -8.251 -12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.487 -9.182 -13.543 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.584 -8.310 -14.595 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.120 -10.069 -14.697 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.769 -10.616 -13.069 1.00 0.00 H new ATOM 621 N LEU A 41 6.553 -6.215 -11.266 1.00 0.00 N ATOM 622 CA LEU A 41 6.106 -4.825 -11.114 1.00 0.00 C ATOM 623 C LEU A 41 6.988 -3.879 -11.936 1.00 0.00 C ATOM 624 O LEU A 41 6.504 -2.892 -12.486 1.00 0.00 O ATOM 625 CB LEU A 41 6.150 -4.397 -9.641 1.00 0.00 C ATOM 626 CG LEU A 41 5.120 -3.337 -9.223 1.00 0.00 C ATOM 627 CD1 LEU A 41 5.519 -1.974 -9.794 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.733 -3.725 -9.750 1.00 0.00 C ATOM 0 H LEU A 41 6.777 -6.686 -10.389 1.00 0.00 H new ATOM 0 HA LEU A 41 5.079 -4.768 -11.476 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.006 -5.281 -9.021 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.147 -4.014 -9.423 1.00 0.00 H new ATOM 0 HG LEU A 41 5.090 -3.279 -8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.785 -1.225 -9.495 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.501 -1.693 -9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.555 -2.032 -10.882 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.006 -2.970 -9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.762 -3.790 -10.838 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.444 -4.691 -9.336 1.00 0.00 H new ATOM 640 N GLY A 42 8.288 -4.201 -12.025 1.00 0.00 N ATOM 641 CA GLY A 42 9.226 -3.378 -12.797 1.00 0.00 C ATOM 642 C GLY A 42 8.778 -3.256 -14.257 1.00 0.00 C ATOM 643 O GLY A 42 9.001 -2.228 -14.899 1.00 0.00 O ATOM 0 H GLY A 42 8.708 -5.016 -11.577 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.297 -2.386 -12.351 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.222 -3.819 -12.754 1.00 0.00 H new ATOM 647 N LYS A 43 8.129 -4.315 -14.765 1.00 0.00 N ATOM 648 CA LYS A 43 7.633 -4.322 -16.146 1.00 0.00 C ATOM 649 C LYS A 43 6.542 -3.264 -16.337 1.00 0.00 C ATOM 650 O LYS A 43 6.351 -2.749 -17.440 1.00 0.00 O ATOM 651 CB LYS A 43 7.058 -5.697 -16.511 1.00 0.00 C ATOM 652 CG LYS A 43 8.152 -6.763 -16.394 1.00 0.00 C ATOM 653 CD LYS A 43 7.676 -8.065 -17.043 1.00 0.00 C ATOM 654 CE LYS A 43 7.875 -7.989 -18.560 1.00 0.00 C ATOM 655 NZ LYS A 43 6.728 -8.649 -19.248 1.00 0.00 N ATOM 0 H LYS A 43 7.937 -5.170 -14.243 1.00 0.00 H new ATOM 0 HA LYS A 43 8.477 -4.096 -16.798 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.227 -5.941 -15.850 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.662 -5.678 -17.526 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.064 -6.416 -16.879 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.394 -6.936 -15.345 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.231 -8.910 -16.636 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.624 -8.234 -16.813 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.952 -6.948 -18.875 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.809 -8.476 -18.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.864 -8.597 -20.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.675 -9.646 -18.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.844 -8.165 -18.991 1.00 0.00 H new ATOM 669 N VAL A 44 5.835 -2.939 -15.250 1.00 0.00 N ATOM 670 CA VAL A 44 4.771 -1.934 -15.303 1.00 0.00 C ATOM 671 C VAL A 44 5.345 -0.558 -14.950 1.00 0.00 C ATOM 672 O VAL A 44 4.927 0.457 -15.508 1.00 0.00 O ATOM 673 CB VAL A 44 3.591 -2.295 -14.359 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.579 -3.802 -14.071 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.691 -1.536 -13.026 1.00 0.00 C ATOM 0 H VAL A 44 5.979 -3.354 -14.330 1.00 0.00 H new ATOM 0 HA VAL A 44 4.374 -1.910 -16.318 1.00 0.00 H new ATOM 0 HB VAL A 44 2.669 -2.006 -14.864 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.747 -4.039 -13.408 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.466 -4.350 -15.006 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.516 -4.089 -13.593 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.851 -1.810 -12.387 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.625 -1.796 -12.528 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.668 -0.463 -13.216 1.00 0.00 H new ATOM 685 N MET A 45 6.318 -0.544 -14.028 1.00 0.00 N ATOM 686 CA MET A 45 6.959 0.704 -13.614 1.00 0.00 C ATOM 687 C MET A 45 7.595 1.398 -14.817 1.00 0.00 C ATOM 688 O MET A 45 7.526 2.621 -14.941 1.00 0.00 O ATOM 689 CB MET A 45 8.044 0.438 -12.564 1.00 0.00 C ATOM 690 CG MET A 45 7.391 0.119 -11.217 1.00 0.00 C ATOM 691 SD MET A 45 7.234 1.638 -10.244 1.00 0.00 S ATOM 692 CE MET A 45 5.481 1.948 -10.573 1.00 0.00 C ATOM 0 H MET A 45 6.674 -1.378 -13.560 1.00 0.00 H new ATOM 0 HA MET A 45 6.191 1.345 -13.182 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.673 -0.394 -12.880 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.692 1.309 -12.468 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.409 -0.328 -11.374 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.991 -0.612 -10.675 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.384 2.623 -11.423 1.00 0.00 H new ATOM 0 HE2 MET A 45 4.981 1.006 -10.799 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.021 2.401 -9.695 1.00 0.00 H new ATOM 702 N ARG A 46 8.208 0.604 -15.708 1.00 0.00 N ATOM 703 CA ARG A 46 8.843 1.166 -16.907 1.00 0.00 C ATOM 704 C ARG A 46 7.803 1.896 -17.764 1.00 0.00 C ATOM 705 O ARG A 46 8.100 2.925 -18.374 1.00 0.00 O ATOM 706 CB ARG A 46 9.533 0.075 -17.740 1.00 0.00 C ATOM 707 CG ARG A 46 8.529 -1.010 -18.141 1.00 0.00 C ATOM 708 CD ARG A 46 9.169 -1.952 -19.163 1.00 0.00 C ATOM 709 NE ARG A 46 9.796 -3.096 -18.496 1.00 0.00 N ATOM 710 CZ ARG A 46 10.018 -4.255 -19.136 1.00 0.00 C ATOM 711 NH1 ARG A 46 9.693 -4.399 -20.400 1.00 0.00 N ATOM 712 NH2 ARG A 46 10.568 -5.252 -18.492 1.00 0.00 N ATOM 0 H ARG A 46 8.277 -0.410 -15.623 1.00 0.00 H new ATOM 0 HA ARG A 46 9.604 1.875 -16.580 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.976 0.517 -18.633 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.347 -0.369 -17.166 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.215 -1.572 -17.261 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.634 -0.553 -18.564 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.412 -2.304 -19.864 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.915 -1.411 -19.745 1.00 0.00 H new ATOM 0 HE ARG A 46 10.072 -3.009 -17.518 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.266 -3.625 -20.908 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.867 -5.285 -20.874 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.825 -5.146 -17.511 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.740 -6.136 -18.971 1.00 0.00 H new ATOM 726 N MET A 47 6.574 1.366 -17.775 1.00 0.00 N ATOM 727 CA MET A 47 5.479 1.984 -18.526 1.00 0.00 C ATOM 728 C MET A 47 5.099 3.325 -17.888 1.00 0.00 C ATOM 729 O MET A 47 4.712 4.268 -18.581 1.00 0.00 O ATOM 730 CB MET A 47 4.247 1.071 -18.532 1.00 0.00 C ATOM 731 CG MET A 47 3.996 0.539 -19.946 1.00 0.00 C ATOM 732 SD MET A 47 5.458 -0.357 -20.531 1.00 0.00 S ATOM 733 CE MET A 47 4.895 -2.021 -20.100 1.00 0.00 C ATOM 0 H MET A 47 6.315 0.515 -17.275 1.00 0.00 H new ATOM 0 HA MET A 47 5.815 2.142 -19.551 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.397 0.240 -17.843 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.374 1.622 -18.182 1.00 0.00 H new ATOM 0 HG2 MET A 47 3.128 -0.121 -19.948 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.770 1.365 -20.621 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.758 -2.670 -19.952 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.310 -1.981 -19.181 1.00 0.00 H new ATOM 0 HE3 MET A 47 4.277 -2.416 -20.906 1.00 0.00 H new ATOM 743 N LEU A 48 5.231 3.395 -16.556 1.00 0.00 N ATOM 744 CA LEU A 48 4.918 4.619 -15.815 1.00 0.00 C ATOM 745 C LEU A 48 6.011 5.670 -16.032 1.00 0.00 C ATOM 746 O LEU A 48 5.737 6.871 -16.046 1.00 0.00 O ATOM 747 CB LEU A 48 4.805 4.321 -14.313 1.00 0.00 C ATOM 748 CG LEU A 48 3.423 3.869 -13.816 1.00 0.00 C ATOM 749 CD1 LEU A 48 2.320 4.628 -14.559 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.258 2.365 -14.057 1.00 0.00 C ATOM 0 H LEU A 48 5.551 2.621 -15.974 1.00 0.00 H new ATOM 0 HA LEU A 48 3.966 5.002 -16.184 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.530 3.547 -14.061 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.091 5.217 -13.763 1.00 0.00 H new ATOM 0 HG LEU A 48 3.344 4.081 -12.750 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.345 4.299 -14.198 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.431 5.698 -14.381 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.397 4.428 -15.628 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.277 2.045 -13.704 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.346 2.156 -15.123 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.033 1.823 -13.515 1.00 0.00 H new ATOM 762 N GLY A 49 7.249 5.197 -16.206 1.00 0.00 N ATOM 763 CA GLY A 49 8.387 6.092 -16.428 1.00 0.00 C ATOM 764 C GLY A 49 9.475 5.909 -15.363 1.00 0.00 C ATOM 765 O GLY A 49 10.193 6.856 -15.034 1.00 0.00 O ATOM 0 H GLY A 49 7.487 4.205 -16.197 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.810 5.904 -17.415 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.042 7.126 -16.421 1.00 0.00 H new ATOM 769 N GLN A 50 9.595 4.686 -14.829 1.00 0.00 N ATOM 770 CA GLN A 50 10.608 4.401 -13.803 1.00 0.00 C ATOM 771 C GLN A 50 10.981 2.915 -13.805 1.00 0.00 C ATOM 772 O GLN A 50 10.247 2.079 -14.327 1.00 0.00 O ATOM 773 CB GLN A 50 10.094 4.793 -12.409 1.00 0.00 C ATOM 774 CG GLN A 50 8.774 4.071 -12.110 1.00 0.00 C ATOM 775 CD GLN A 50 7.723 5.084 -11.665 1.00 0.00 C ATOM 776 OE1 GLN A 50 7.394 5.165 -10.481 1.00 0.00 O ATOM 777 NE2 GLN A 50 7.169 5.871 -12.548 1.00 0.00 N ATOM 0 H GLN A 50 9.013 3.889 -15.085 1.00 0.00 H new ATOM 0 HA GLN A 50 11.493 4.992 -14.039 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.837 4.536 -11.654 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.947 5.872 -12.357 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.429 3.541 -12.998 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.925 3.324 -11.331 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.439 5.806 -13.529 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.466 6.550 -12.256 1.00 0.00 H new ATOM 786 N ASN A 51 12.135 2.593 -13.213 1.00 0.00 N ATOM 787 CA ASN A 51 12.587 1.200 -13.157 1.00 0.00 C ATOM 788 C ASN A 51 13.407 0.945 -11.888 1.00 0.00 C ATOM 789 O ASN A 51 14.623 1.151 -11.866 1.00 0.00 O ATOM 790 CB ASN A 51 13.436 0.862 -14.390 1.00 0.00 C ATOM 791 CG ASN A 51 13.515 -0.654 -14.557 1.00 0.00 C ATOM 792 OD1 ASN A 51 14.568 -1.253 -14.340 1.00 0.00 O ATOM 793 ND2 ASN A 51 12.453 -1.317 -14.934 1.00 0.00 N ATOM 0 H ASN A 51 12.764 3.265 -12.773 1.00 0.00 H new ATOM 0 HA ASN A 51 11.704 0.561 -13.142 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.999 1.314 -15.280 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.437 1.279 -14.280 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.498 -2.330 -15.048 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.580 -0.822 -15.114 1.00 0.00 H new ATOM 800 N PRO A 52 12.741 0.491 -10.817 1.00 0.00 N ATOM 801 CA PRO A 52 13.406 0.199 -9.532 1.00 0.00 C ATOM 802 C PRO A 52 14.040 -1.197 -9.498 1.00 0.00 C ATOM 803 O PRO A 52 14.294 -1.805 -10.542 1.00 0.00 O ATOM 804 CB PRO A 52 12.243 0.299 -8.547 1.00 0.00 C ATOM 805 CG PRO A 52 10.966 0.032 -9.335 1.00 0.00 C ATOM 806 CD PRO A 52 11.286 0.243 -10.818 1.00 0.00 C ATOM 0 HA PRO A 52 14.237 0.872 -9.320 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.357 -0.426 -7.741 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.212 1.286 -8.086 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.613 -0.984 -9.160 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.171 0.705 -9.015 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.027 -0.632 -11.414 1.00 0.00 H new ATOM 0 HD3 PRO A 52 10.734 1.086 -11.233 1.00 0.00 H new ATOM 814 N THR A 53 14.287 -1.695 -8.285 1.00 0.00 N ATOM 815 CA THR A 53 14.884 -3.020 -8.104 1.00 0.00 C ATOM 816 C THR A 53 13.793 -4.016 -7.692 1.00 0.00 C ATOM 817 O THR A 53 12.662 -3.613 -7.411 1.00 0.00 O ATOM 818 CB THR A 53 15.983 -2.968 -7.020 1.00 0.00 C ATOM 819 OG1 THR A 53 15.396 -3.091 -5.730 1.00 0.00 O ATOM 820 CG2 THR A 53 16.740 -1.639 -7.102 1.00 0.00 C ATOM 0 H THR A 53 14.084 -1.202 -7.415 1.00 0.00 H new ATOM 0 HA THR A 53 15.336 -3.340 -9.043 1.00 0.00 H new ATOM 0 HB THR A 53 16.677 -3.792 -7.187 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.098 -3.059 -5.047 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.513 -1.612 -6.334 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.202 -1.543 -8.085 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.045 -0.814 -6.946 1.00 0.00 H new ATOM 828 N PRO A 54 14.108 -5.321 -7.634 1.00 0.00 N ATOM 829 CA PRO A 54 13.114 -6.338 -7.231 1.00 0.00 C ATOM 830 C PRO A 54 12.786 -6.263 -5.740 1.00 0.00 C ATOM 831 O PRO A 54 11.683 -6.615 -5.317 1.00 0.00 O ATOM 832 CB PRO A 54 13.804 -7.647 -7.600 1.00 0.00 C ATOM 833 CG PRO A 54 15.296 -7.358 -7.643 1.00 0.00 C ATOM 834 CD PRO A 54 15.451 -5.863 -7.941 1.00 0.00 C ATOM 0 HA PRO A 54 12.148 -6.209 -7.720 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.581 -8.422 -6.867 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.452 -8.011 -8.565 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.766 -7.613 -6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.784 -7.958 -8.412 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.222 -5.406 -7.321 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.730 -5.685 -8.980 1.00 0.00 H new ATOM 842 N GLU A 55 13.748 -5.767 -4.952 1.00 0.00 N ATOM 843 CA GLU A 55 13.546 -5.612 -3.512 1.00 0.00 C ATOM 844 C GLU A 55 12.760 -4.326 -3.233 1.00 0.00 C ATOM 845 O GLU A 55 11.952 -4.270 -2.302 1.00 0.00 O ATOM 846 CB GLU A 55 14.889 -5.548 -2.774 1.00 0.00 C ATOM 847 CG GLU A 55 15.667 -6.852 -2.990 1.00 0.00 C ATOM 848 CD GLU A 55 15.024 -7.979 -2.184 1.00 0.00 C ATOM 849 OE1 GLU A 55 15.383 -8.136 -1.029 1.00 0.00 O ATOM 850 OE2 GLU A 55 14.182 -8.670 -2.737 1.00 0.00 O ATOM 0 H GLU A 55 14.665 -5.470 -5.286 1.00 0.00 H new ATOM 0 HA GLU A 55 12.987 -6.476 -3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.473 -4.702 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.721 -5.387 -1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.676 -7.110 -4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.705 -6.721 -2.685 1.00 0.00 H new ATOM 857 N GLU A 56 13.008 -3.296 -4.055 1.00 0.00 N ATOM 858 CA GLU A 56 12.327 -2.009 -3.900 1.00 0.00 C ATOM 859 C GLU A 56 10.853 -2.120 -4.298 1.00 0.00 C ATOM 860 O GLU A 56 9.971 -1.676 -3.562 1.00 0.00 O ATOM 861 CB GLU A 56 13.000 -0.938 -4.767 1.00 0.00 C ATOM 862 CG GLU A 56 12.691 0.451 -4.201 1.00 0.00 C ATOM 863 CD GLU A 56 13.501 1.502 -4.954 1.00 0.00 C ATOM 864 OE1 GLU A 56 14.654 1.698 -4.605 1.00 0.00 O ATOM 865 OE2 GLU A 56 12.956 2.098 -5.869 1.00 0.00 O ATOM 0 H GLU A 56 13.672 -3.331 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 56 12.393 -1.724 -2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.078 -1.100 -4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.643 -1.011 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.626 0.664 -4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.932 0.484 -3.139 1.00 0.00 H new ATOM 872 N LEU A 57 10.595 -2.718 -5.469 1.00 0.00 N ATOM 873 CA LEU A 57 9.220 -2.879 -5.945 1.00 0.00 C ATOM 874 C LEU A 57 8.414 -3.760 -4.989 1.00 0.00 C ATOM 875 O LEU A 57 7.227 -3.520 -4.768 1.00 0.00 O ATOM 876 CB LEU A 57 9.188 -3.485 -7.356 1.00 0.00 C ATOM 877 CG LEU A 57 9.841 -4.867 -7.519 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.824 -5.968 -7.200 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.323 -5.029 -8.964 1.00 0.00 C ATOM 0 H LEU A 57 11.310 -3.092 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 57 8.769 -1.887 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.148 -3.559 -7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.681 -2.791 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 57 10.684 -4.949 -6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.295 -6.944 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.476 -5.855 -6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.977 -5.889 -7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.787 -6.008 -9.085 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.474 -4.943 -9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.051 -4.251 -9.194 1.00 0.00 H new ATOM 891 N GLN A 58 9.071 -4.776 -4.417 1.00 0.00 N ATOM 892 CA GLN A 58 8.398 -5.678 -3.477 1.00 0.00 C ATOM 893 C GLN A 58 7.985 -4.930 -2.207 1.00 0.00 C ATOM 894 O GLN A 58 6.933 -5.206 -1.633 1.00 0.00 O ATOM 895 CB GLN A 58 9.308 -6.852 -3.097 1.00 0.00 C ATOM 896 CG GLN A 58 8.873 -8.108 -3.862 1.00 0.00 C ATOM 897 CD GLN A 58 7.472 -8.530 -3.414 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.296 -9.040 -2.307 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.456 -8.346 -4.216 1.00 0.00 N ATOM 0 H GLN A 58 10.054 -4.992 -4.585 1.00 0.00 H new ATOM 0 HA GLN A 58 7.507 -6.063 -3.974 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.345 -6.612 -3.331 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.257 -7.032 -2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.878 -7.912 -4.934 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.581 -8.917 -3.683 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.600 -7.924 -5.133 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.519 -8.625 -3.924 1.00 0.00 H new ATOM 908 N GLU A 59 8.820 -3.975 -1.783 1.00 0.00 N ATOM 909 CA GLU A 59 8.524 -3.183 -0.585 1.00 0.00 C ATOM 910 C GLU A 59 7.296 -2.302 -0.819 1.00 0.00 C ATOM 911 O GLU A 59 6.456 -2.140 0.070 1.00 0.00 O ATOM 912 CB GLU A 59 9.715 -2.292 -0.216 1.00 0.00 C ATOM 913 CG GLU A 59 10.747 -3.110 0.568 1.00 0.00 C ATOM 914 CD GLU A 59 10.432 -3.037 2.060 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.610 -3.819 2.511 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.017 -2.202 2.730 1.00 0.00 O ATOM 0 H GLU A 59 9.696 -3.734 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 59 8.326 -3.876 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.170 -1.884 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.377 -1.445 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.734 -4.147 0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.750 -2.727 0.379 1.00 0.00 H new ATOM 923 N MET A 60 7.199 -1.740 -2.030 1.00 0.00 N ATOM 924 CA MET A 60 6.067 -0.880 -2.384 1.00 0.00 C ATOM 925 C MET A 60 4.792 -1.708 -2.506 1.00 0.00 C ATOM 926 O MET A 60 3.734 -1.326 -2.002 1.00 0.00 O ATOM 927 CB MET A 60 6.319 -0.166 -3.720 1.00 0.00 C ATOM 928 CG MET A 60 7.629 0.622 -3.650 1.00 0.00 C ATOM 929 SD MET A 60 7.307 2.275 -2.987 1.00 0.00 S ATOM 930 CE MET A 60 8.776 3.083 -3.667 1.00 0.00 C ATOM 0 H MET A 60 7.885 -1.865 -2.774 1.00 0.00 H new ATOM 0 HA MET A 60 5.955 -0.138 -1.594 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.366 -0.895 -4.529 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.491 0.507 -3.945 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.347 0.099 -3.018 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.074 0.697 -4.642 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.781 4.133 -3.375 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.671 2.595 -3.282 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.762 3.008 -4.754 1.00 0.00 H new ATOM 940 N ILE A 61 4.915 -2.852 -3.181 1.00 0.00 N ATOM 941 CA ILE A 61 3.776 -3.754 -3.378 1.00 0.00 C ATOM 942 C ILE A 61 3.294 -4.305 -2.036 1.00 0.00 C ATOM 943 O ILE A 61 2.104 -4.273 -1.741 1.00 0.00 O ATOM 944 CB ILE A 61 4.158 -4.923 -4.296 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.528 -4.383 -5.681 1.00 0.00 C ATOM 946 CG2 ILE A 61 2.976 -5.891 -4.429 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.472 -5.364 -6.376 1.00 0.00 C ATOM 0 H ILE A 61 5.787 -3.176 -3.599 1.00 0.00 H new ATOM 0 HA ILE A 61 2.974 -3.182 -3.845 1.00 0.00 H new ATOM 0 HB ILE A 61 5.009 -5.451 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.628 -4.241 -6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.005 -3.407 -5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.255 -6.718 -5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.711 -6.279 -3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.121 -5.365 -4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.735 -4.980 -7.361 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.377 -5.483 -5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.978 -6.330 -6.483 1.00 0.00 H new ATOM 959 N ASP A 62 4.231 -4.808 -1.229 1.00 0.00 N ATOM 960 CA ASP A 62 3.888 -5.365 0.085 1.00 0.00 C ATOM 961 C ASP A 62 3.058 -4.370 0.905 1.00 0.00 C ATOM 962 O ASP A 62 2.166 -4.765 1.659 1.00 0.00 O ATOM 963 CB ASP A 62 5.160 -5.716 0.867 1.00 0.00 C ATOM 964 CG ASP A 62 4.806 -6.609 2.053 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.651 -7.801 1.847 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.696 -6.086 3.150 1.00 0.00 O ATOM 0 H ASP A 62 5.224 -4.842 -1.458 1.00 0.00 H new ATOM 0 HA ASP A 62 3.300 -6.267 -0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.870 -6.225 0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.646 -4.805 1.218 1.00 0.00 H new ATOM 971 N GLU A 63 3.365 -3.078 0.751 1.00 0.00 N ATOM 972 CA GLU A 63 2.647 -2.031 1.483 1.00 0.00 C ATOM 973 C GLU A 63 1.246 -1.803 0.904 1.00 0.00 C ATOM 974 O GLU A 63 0.253 -1.839 1.633 1.00 0.00 O ATOM 975 CB GLU A 63 3.426 -0.713 1.430 1.00 0.00 C ATOM 976 CG GLU A 63 4.535 -0.727 2.483 1.00 0.00 C ATOM 977 CD GLU A 63 4.946 0.704 2.810 1.00 0.00 C ATOM 978 OE1 GLU A 63 4.348 1.284 3.702 1.00 0.00 O ATOM 979 OE2 GLU A 63 5.854 1.202 2.164 1.00 0.00 O ATOM 0 H GLU A 63 4.099 -2.735 0.132 1.00 0.00 H new ATOM 0 HA GLU A 63 2.551 -2.365 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.855 -0.573 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.753 0.126 1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.188 -1.232 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.394 -1.288 2.114 1.00 0.00 H new ATOM 986 N VAL A 64 1.179 -1.549 -0.408 1.00 0.00 N ATOM 987 CA VAL A 64 -0.109 -1.294 -1.070 1.00 0.00 C ATOM 988 C VAL A 64 -1.011 -2.538 -1.055 1.00 0.00 C ATOM 989 O VAL A 64 -2.225 -2.428 -0.878 1.00 0.00 O ATOM 990 CB VAL A 64 0.110 -0.822 -2.520 1.00 0.00 C ATOM 991 CG1 VAL A 64 0.814 -1.913 -3.331 1.00 0.00 C ATOM 992 CG2 VAL A 64 -1.238 -0.498 -3.170 1.00 0.00 C ATOM 0 H VAL A 64 1.989 -1.514 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.611 -0.506 -0.509 1.00 0.00 H new ATOM 0 HB VAL A 64 0.733 0.072 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.963 -1.567 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.780 -2.136 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.201 -2.814 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.077 -0.165 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.864 -1.390 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.734 0.292 -2.605 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.409 -3.718 -1.238 1.00 0.00 N ATOM 1003 CA ASP A 65 -1.172 -4.966 -1.237 1.00 0.00 C ATOM 1004 C ASP A 65 -1.600 -5.308 0.189 1.00 0.00 C ATOM 1005 O ASP A 65 -0.782 -5.715 1.018 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.331 -6.118 -1.804 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.114 -6.845 -2.894 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.994 -7.620 -2.552 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.820 -6.616 -4.057 1.00 0.00 O ATOM 0 H ASP A 65 0.593 -3.833 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.052 -4.831 -1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.603 -5.732 -2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.068 -6.814 -1.008 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.893 -5.128 0.463 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.437 -5.411 1.797 1.00 0.00 C ATOM 1016 C GLU A 66 -3.433 -6.913 2.068 1.00 0.00 C ATOM 1017 O GLU A 66 -3.062 -7.362 3.155 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.880 -4.899 1.919 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.955 -3.429 1.490 1.00 0.00 C ATOM 1020 CD GLU A 66 -4.721 -2.526 2.697 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -3.573 -2.212 2.965 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -5.695 -2.158 3.335 1.00 0.00 O ATOM 0 H GLU A 66 -3.579 -4.791 -0.212 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.805 -4.900 2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.542 -5.502 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.226 -5.004 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.208 -3.226 0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.930 -3.218 1.050 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.854 -7.678 1.061 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.911 -9.138 1.176 1.00 0.00 C ATOM 1031 C ASP A 67 -2.534 -9.766 0.941 1.00 0.00 C ATOM 1032 O ASP A 67 -2.170 -10.742 1.598 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.919 -9.730 0.172 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.719 -9.119 -1.219 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.163 -8.000 -1.427 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -4.131 -9.781 -2.053 1.00 0.00 O ATOM 0 H ASP A 67 -4.160 -7.314 0.159 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.237 -9.370 2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.796 -10.812 0.121 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.936 -9.540 0.515 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.777 -9.201 -0.006 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.448 -9.721 -0.324 1.00 0.00 C ATOM 1043 C GLY A 68 -0.560 -11.044 -1.077 1.00 0.00 C ATOM 1044 O GLY A 68 0.089 -12.031 -0.727 1.00 0.00 O ATOM 0 H GLY A 68 -2.060 -8.392 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.098 -8.996 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.122 -9.865 0.594 1.00 0.00 H new ATOM 1048 N SER A 69 -1.404 -11.047 -2.111 1.00 0.00 N ATOM 1049 CA SER A 69 -1.622 -12.252 -2.921 1.00 0.00 C ATOM 1050 C SER A 69 -0.529 -12.442 -3.986 1.00 0.00 C ATOM 1051 O SER A 69 -0.535 -13.440 -4.712 1.00 0.00 O ATOM 1052 CB SER A 69 -2.981 -12.171 -3.628 1.00 0.00 C ATOM 1053 OG SER A 69 -3.059 -10.957 -4.372 1.00 0.00 O ATOM 0 H SER A 69 -1.946 -10.235 -2.408 1.00 0.00 H new ATOM 0 HA SER A 69 -1.592 -13.102 -2.239 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.109 -13.026 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.787 -12.213 -2.895 1.00 0.00 H new ATOM 0 HG SER A 69 -3.434 -10.250 -3.806 1.00 0.00 H new ATOM 1059 N GLY A 70 0.394 -11.477 -4.095 1.00 0.00 N ATOM 1060 CA GLY A 70 1.458 -11.558 -5.096 1.00 0.00 C ATOM 1061 C GLY A 70 0.962 -11.040 -6.449 1.00 0.00 C ATOM 1062 O GLY A 70 1.570 -11.306 -7.487 1.00 0.00 O ATOM 0 H GLY A 70 0.423 -10.643 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.318 -10.973 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.794 -12.590 -5.196 1.00 0.00 H new ATOM 1066 N THR A 71 -0.152 -10.295 -6.422 1.00 0.00 N ATOM 1067 CA THR A 71 -0.731 -9.737 -7.641 1.00 0.00 C ATOM 1068 C THR A 71 -1.323 -8.361 -7.347 1.00 0.00 C ATOM 1069 O THR A 71 -2.028 -8.175 -6.350 1.00 0.00 O ATOM 1070 CB THR A 71 -1.833 -10.655 -8.194 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.950 -10.649 -7.311 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.301 -12.084 -8.326 1.00 0.00 C ATOM 0 H THR A 71 -0.665 -10.068 -5.570 1.00 0.00 H new ATOM 0 HA THR A 71 0.060 -9.650 -8.386 1.00 0.00 H new ATOM 0 HB THR A 71 -2.140 -10.291 -9.174 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.639 -10.762 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.086 -12.730 -8.718 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.450 -12.094 -9.006 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.988 -12.447 -7.347 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.029 -7.397 -8.217 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.538 -6.040 -8.027 1.00 0.00 C ATOM 1082 C VAL A 72 -2.875 -5.862 -8.738 1.00 0.00 C ATOM 1083 O VAL A 72 -2.974 -6.030 -9.955 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.561 -4.988 -8.571 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.958 -3.605 -8.048 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.866 -5.306 -8.114 1.00 0.00 C ATOM 0 H VAL A 72 -0.451 -7.526 -9.047 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.660 -5.897 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.600 -5.000 -9.660 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.265 -2.857 -8.434 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.969 -3.367 -8.379 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.923 -3.604 -6.959 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.550 -4.553 -8.506 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.908 -5.303 -7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.157 -6.289 -8.486 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.890 -5.483 -7.964 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.219 -5.233 -8.520 1.00 0.00 C ATOM 1098 C ASP A 73 -5.254 -3.805 -9.051 1.00 0.00 C ATOM 1099 O ASP A 73 -4.371 -3.009 -8.737 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.301 -5.395 -7.445 1.00 0.00 C ATOM 1101 CG ASP A 73 -7.234 -6.546 -7.814 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -7.900 -6.443 -8.833 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.271 -7.513 -7.070 1.00 0.00 O ATOM 0 H ASP A 73 -3.819 -5.343 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.415 -5.951 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.838 -5.587 -6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.871 -4.471 -7.348 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.263 -3.476 -9.859 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.349 -2.119 -10.402 1.00 0.00 C ATOM 1110 C PHE A 74 -6.450 -1.091 -9.272 1.00 0.00 C ATOM 1111 O PHE A 74 -5.920 0.016 -9.382 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.544 -1.966 -11.346 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.371 -0.710 -12.161 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.142 -0.443 -12.775 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.433 0.187 -12.300 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.976 0.721 -13.526 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.267 1.353 -13.053 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.039 1.621 -13.665 1.00 0.00 C ATOM 0 H PHE A 74 -7.011 -4.108 -10.145 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.437 -1.939 -10.972 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.618 -2.833 -12.002 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.471 -1.919 -10.775 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.322 -1.138 -12.667 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.381 -0.020 -11.826 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.028 0.928 -14.000 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.087 2.047 -13.162 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.910 2.523 -14.245 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.112 -1.481 -8.175 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.250 -0.593 -7.020 1.00 0.00 C ATOM 1130 C ASP A 75 -5.882 -0.378 -6.367 1.00 0.00 C ATOM 1131 O ASP A 75 -5.521 0.743 -6.010 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.210 -1.194 -5.986 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.723 -0.093 -5.060 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -8.064 0.175 -4.067 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.766 0.466 -5.358 1.00 0.00 O ATOM 0 H ASP A 75 -7.554 -2.394 -8.066 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.652 0.360 -7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -9.047 -1.678 -6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.700 -1.963 -5.405 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.121 -1.473 -6.238 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.780 -1.413 -5.649 1.00 0.00 C ATOM 1142 C GLU A 76 -2.800 -0.742 -6.623 1.00 0.00 C ATOM 1143 O GLU A 76 -1.822 -0.118 -6.209 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.273 -2.826 -5.318 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.280 -3.540 -4.400 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.884 -5.010 -4.204 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.441 -5.629 -5.160 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -4.040 -5.499 -3.098 1.00 0.00 O ATOM 0 H GLU A 76 -5.411 -2.406 -6.532 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.839 -0.828 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.136 -3.397 -6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.300 -2.768 -4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.320 -3.037 -3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.279 -3.481 -4.832 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.086 -0.883 -7.924 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.248 -0.300 -8.975 1.00 0.00 C ATOM 1157 C PHE A 77 -2.299 1.228 -8.915 1.00 0.00 C ATOM 1158 O PHE A 77 -1.262 1.894 -8.863 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.747 -0.764 -10.353 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.615 -0.888 -11.353 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.274 -0.984 -10.938 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.925 -0.922 -12.715 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.742 -1.108 -11.891 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.908 -1.048 -13.663 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.425 -1.140 -13.253 1.00 0.00 C ATOM 0 H PHE A 77 -3.895 -1.398 -8.273 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.221 -0.630 -8.820 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.249 -1.726 -10.252 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.487 -0.057 -10.728 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.030 -0.962 -9.886 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.954 -0.851 -13.035 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.772 -1.179 -11.575 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.152 -1.074 -14.715 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.210 -1.236 -13.988 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.523 1.770 -8.923 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.720 3.221 -8.868 1.00 0.00 C ATOM 1177 C LEU A 78 -3.312 3.771 -7.498 1.00 0.00 C ATOM 1178 O LEU A 78 -2.780 4.878 -7.399 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.186 3.576 -9.142 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.551 3.782 -10.621 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.797 2.777 -11.498 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.057 3.584 -10.802 1.00 0.00 C ATOM 0 H LEU A 78 -4.386 1.228 -8.967 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.092 3.673 -9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.815 2.783 -8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.430 4.487 -8.595 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.271 4.792 -10.919 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.064 2.934 -12.543 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.723 2.919 -11.373 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.066 1.763 -11.203 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.320 3.729 -11.850 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.331 2.574 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.595 4.307 -10.189 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.550 2.977 -6.444 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.185 3.387 -5.085 1.00 0.00 C ATOM 1196 C VAL A 79 -1.665 3.578 -4.997 1.00 0.00 C ATOM 1197 O VAL A 79 -1.185 4.587 -4.488 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.645 2.329 -4.064 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.708 2.314 -2.854 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.066 2.655 -3.599 1.00 0.00 C ATOM 0 H VAL A 79 -3.989 2.058 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.681 4.330 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.625 1.348 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.046 1.562 -2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.696 2.076 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.714 3.294 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.393 1.907 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.079 3.640 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.739 2.650 -4.456 1.00 0.00 H new ATOM 1210 N MET A 80 -0.927 2.588 -5.510 1.00 0.00 N ATOM 1211 CA MET A 80 0.543 2.626 -5.511 1.00 0.00 C ATOM 1212 C MET A 80 1.081 3.983 -5.994 1.00 0.00 C ATOM 1213 O MET A 80 2.179 4.387 -5.612 1.00 0.00 O ATOM 1214 CB MET A 80 1.100 1.527 -6.424 1.00 0.00 C ATOM 1215 CG MET A 80 2.210 0.763 -5.698 1.00 0.00 C ATOM 1216 SD MET A 80 3.519 0.331 -6.872 1.00 0.00 S ATOM 1217 CE MET A 80 2.531 -0.753 -7.936 1.00 0.00 C ATOM 0 H MET A 80 -1.323 1.748 -5.931 1.00 0.00 H new ATOM 0 HA MET A 80 0.867 2.468 -4.482 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.303 0.842 -6.712 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.489 1.967 -7.342 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.618 1.373 -4.892 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.805 -0.140 -5.241 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.890 -1.778 -7.845 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.485 -0.706 -7.632 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.622 -0.427 -8.972 1.00 0.00 H new ATOM 1227 N MET A 81 0.299 4.682 -6.830 1.00 0.00 N ATOM 1228 CA MET A 81 0.714 5.992 -7.342 1.00 0.00 C ATOM 1229 C MET A 81 0.872 6.981 -6.188 1.00 0.00 C ATOM 1230 O MET A 81 1.927 7.596 -6.020 1.00 0.00 O ATOM 1231 CB MET A 81 -0.322 6.536 -8.330 1.00 0.00 C ATOM 1232 CG MET A 81 0.373 7.393 -9.391 1.00 0.00 C ATOM 1233 SD MET A 81 -0.818 8.556 -10.108 1.00 0.00 S ATOM 1234 CE MET A 81 -2.042 7.339 -10.655 1.00 0.00 C ATOM 0 H MET A 81 -0.612 4.366 -7.161 1.00 0.00 H new ATOM 0 HA MET A 81 1.669 5.870 -7.854 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.852 5.711 -8.806 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.067 7.130 -7.800 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.205 7.938 -8.945 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.790 6.756 -10.171 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.222 7.459 -11.723 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.668 6.334 -10.460 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.974 7.491 -10.111 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.190 7.114 -5.387 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.166 8.019 -4.232 1.00 0.00 C ATOM 1246 C VAL A 82 0.729 7.455 -3.126 1.00 0.00 C ATOM 1247 O VAL A 82 1.309 8.208 -2.349 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.576 8.237 -3.669 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.440 8.945 -4.713 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.210 6.892 -3.311 1.00 0.00 C ATOM 0 H VAL A 82 -1.069 6.612 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 82 0.232 8.974 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.510 8.852 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.442 9.099 -4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.995 9.909 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.500 8.332 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.211 7.056 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.273 6.270 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.599 6.390 -2.561 1.00 0.00 H new ATOM 1260 N ARG A 83 0.836 6.123 -3.069 1.00 0.00 N ATOM 1261 CA ARG A 83 1.675 5.467 -2.061 1.00 0.00 C ATOM 1262 C ARG A 83 3.148 5.799 -2.309 1.00 0.00 C ATOM 1263 O ARG A 83 3.904 6.065 -1.373 1.00 0.00 O ATOM 1264 CB ARG A 83 1.499 3.944 -2.109 1.00 0.00 C ATOM 1265 CG ARG A 83 0.056 3.572 -1.756 1.00 0.00 C ATOM 1266 CD ARG A 83 -0.163 3.726 -0.248 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.065 2.431 0.430 1.00 0.00 N ATOM 1268 CZ ARG A 83 0.128 2.342 1.755 1.00 0.00 C ATOM 1269 NH1 ARG A 83 0.247 3.423 2.489 1.00 0.00 N ATOM 1270 NH2 ARG A 83 0.198 1.165 2.322 1.00 0.00 N ATOM 0 H ARG A 83 0.357 5.483 -3.703 1.00 0.00 H new ATOM 0 HA ARG A 83 1.368 5.833 -1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.746 3.572 -3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.187 3.468 -1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.638 4.211 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.150 2.546 -2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.577 4.413 0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.143 4.165 -0.062 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.146 1.575 -0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.193 4.344 2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.393 3.343 3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.106 0.321 1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.345 1.092 3.329 1.00 0.00 H new