USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 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: I 7 MET CE :methyl -145:sc= -8.96! (180deg=-12.4!) USER MOD Set 1.2: I 8 MET CE :methyl 168:sc= -4.33! (180deg=-3.93!) USER MOD Set 2.1: C 69 SER OG : rot -142:sc= -0.0899 USER MOD Set 2.2: C 71 THR OG1 : rot 180:sc= -0.328 USER MOD Set 3.1: C 13 THR OG1 : rot 180:sc= -0.739 USER MOD Set 3.2: C 16 GLN : amide:sc= -1.04 K(o=-1.8,f=-2.6) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -3.99! C(o=-4!,f=-4.7!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 55:sc= 0.113 USER MOD Single : C 37 SER OG : rot 180:sc= -1.66 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -150:sc= -0.0352 (180deg=-0.624) USER MOD Single : C 45 MET CE :methyl -160:sc= -4.26 (180deg=-5.62!) USER MOD Single : C 47 MET CE :methyl 178:sc= -6.29! (180deg=-6.45!) USER MOD Single : C 50 GLN : amide:sc= -0.06 K(o=-0.06,f=-0.63) USER MOD Single : C 51 ASN : amide:sc= -0.0368 X(o=-0.037,f=0) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.0833 USER MOD Single : C 58 GLN : amide:sc= 0.54 K(o=0.54,f=-2.4!) USER MOD Single : C 60 MET CE :methyl 165:sc= -3.81! (180deg=-5.47!) USER MOD Single : C 80 MET CE :methyl -177:sc= -0.215 (180deg=-0.238) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 180:sc=-0.000514 USER MOD Single : C 85 MET CE :methyl -113:sc= -0.016 (180deg=-0.398) USER MOD Single : I 3 SER OG : rot -21:sc= 0.945 USER MOD Single : I 9 GLN : amide:sc= -0.373 K(o=-0.37,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 56.612 -12.354 13.966 1.00 0.00 N ATOM 45 CA ILE C 4 55.496 -11.364 13.879 1.00 0.00 C ATOM 46 C ILE C 4 55.409 -10.790 12.461 1.00 0.00 C ATOM 47 O ILE C 4 54.372 -10.832 11.829 1.00 0.00 O ATOM 48 CB ILE C 4 55.821 -10.253 14.891 1.00 0.00 C ATOM 49 CG1 ILE C 4 57.331 -10.188 15.161 1.00 0.00 C ATOM 50 CG2 ILE C 4 55.088 -10.532 16.202 1.00 0.00 C ATOM 51 CD1 ILE C 4 57.629 -9.042 16.130 1.00 0.00 C ATOM 0 HA ILE C 4 54.535 -11.827 14.102 1.00 0.00 H new ATOM 0 HB ILE C 4 55.498 -9.299 14.475 1.00 0.00 H new ATOM 0 HG12 ILE C 4 57.677 -11.132 15.581 1.00 0.00 H new ATOM 0 HG13 ILE C 4 57.872 -10.038 14.227 1.00 0.00 H new ATOM 0 HG21 ILE C 4 55.317 -9.746 16.921 1.00 0.00 H new ATOM 0 HG22 ILE C 4 54.014 -10.556 16.020 1.00 0.00 H new ATOM 0 HG23 ILE C 4 55.410 -11.494 16.601 1.00 0.00 H new ATOM 0 HD11 ILE C 4 58.701 -8.997 16.321 1.00 0.00 H new ATOM 0 HD12 ILE C 4 57.298 -8.100 15.692 1.00 0.00 H new ATOM 0 HD13 ILE C 4 57.100 -9.212 17.068 1.00 0.00 H new ATOM 63 N TYR C 5 56.487 -10.256 11.954 1.00 0.00 N ATOM 64 CA TYR C 5 56.455 -9.683 10.577 1.00 0.00 C ATOM 65 C TYR C 5 56.630 -10.796 9.541 1.00 0.00 C ATOM 66 O TYR C 5 55.833 -10.945 8.635 1.00 0.00 O ATOM 67 CB TYR C 5 57.630 -8.706 10.525 1.00 0.00 C ATOM 68 CG TYR C 5 57.306 -7.485 11.352 1.00 0.00 C ATOM 69 CD1 TYR C 5 57.401 -7.539 12.747 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.906 -6.299 10.723 1.00 0.00 C ATOM 71 CE1 TYR C 5 57.095 -6.407 13.514 1.00 0.00 C ATOM 72 CE2 TYR C 5 56.602 -5.168 11.490 1.00 0.00 C ATOM 73 CZ TYR C 5 56.697 -5.222 12.886 1.00 0.00 C ATOM 74 OH TYR C 5 56.394 -4.108 13.642 1.00 0.00 O ATOM 0 H TYR C 5 57.386 -10.192 12.432 1.00 0.00 H new ATOM 0 HA TYR C 5 55.509 -9.189 10.355 1.00 0.00 H new ATOM 0 HB2 TYR C 5 58.533 -9.186 10.903 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.831 -8.417 9.493 1.00 0.00 H new ATOM 0 HD1 TYR C 5 57.710 -8.453 13.232 1.00 0.00 H new ATOM 0 HD2 TYR C 5 56.832 -6.257 9.646 1.00 0.00 H new ATOM 0 HE1 TYR C 5 57.166 -6.449 14.591 1.00 0.00 H new ATOM 0 HE2 TYR C 5 56.294 -4.254 11.005 1.00 0.00 H new ATOM 0 HH TYR C 5 56.137 -3.371 13.050 1.00 0.00 H new ATOM 84 N LYS C 6 57.665 -11.583 9.668 1.00 0.00 N ATOM 85 CA LYS C 6 57.885 -12.687 8.690 1.00 0.00 C ATOM 86 C LYS C 6 56.568 -13.423 8.429 1.00 0.00 C ATOM 87 O LYS C 6 56.348 -13.962 7.363 1.00 0.00 O ATOM 88 CB LYS C 6 58.895 -13.617 9.362 1.00 0.00 C ATOM 89 CG LYS C 6 60.313 -13.096 9.114 1.00 0.00 C ATOM 90 CD LYS C 6 61.305 -14.259 9.179 1.00 0.00 C ATOM 91 CE LYS C 6 62.130 -14.299 7.890 1.00 0.00 C ATOM 92 NZ LYS C 6 63.539 -14.104 8.331 1.00 0.00 N ATOM 0 H LYS C 6 58.366 -11.509 10.405 1.00 0.00 H new ATOM 0 HA LYS C 6 58.246 -12.324 7.728 1.00 0.00 H new ATOM 0 HB2 LYS C 6 58.698 -13.672 10.433 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.793 -14.628 8.967 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.368 -12.612 8.139 1.00 0.00 H new ATOM 0 HG3 LYS C 6 60.570 -12.343 9.859 1.00 0.00 H new ATOM 0 HD2 LYS C 6 61.962 -14.142 10.041 1.00 0.00 H new ATOM 0 HD3 LYS C 6 60.771 -15.200 9.311 1.00 0.00 H new ATOM 0 HE2 LYS C 6 62.006 -15.250 7.371 1.00 0.00 H new ATOM 0 HE3 LYS C 6 61.820 -13.516 7.198 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 64.167 -14.119 7.502 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 63.627 -13.188 8.816 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 63.808 -14.868 8.983 1.00 0.00 H new ATOM 106 N ALA C 7 55.689 -13.444 9.393 1.00 0.00 N ATOM 107 CA ALA C 7 54.386 -14.140 9.201 1.00 0.00 C ATOM 108 C ALA C 7 53.444 -13.268 8.368 1.00 0.00 C ATOM 109 O ALA C 7 52.643 -13.760 7.599 1.00 0.00 O ATOM 110 CB ALA C 7 53.829 -14.338 10.611 1.00 0.00 C ATOM 0 H ALA C 7 55.817 -13.009 10.306 1.00 0.00 H new ATOM 0 HA ALA C 7 54.496 -15.087 8.672 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.867 -14.846 10.554 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.524 -14.941 11.195 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.699 -13.368 11.090 1.00 0.00 H new ATOM 116 N ALA C 8 53.535 -11.974 8.515 1.00 0.00 N ATOM 117 CA ALA C 8 52.648 -11.070 7.730 1.00 0.00 C ATOM 118 C ALA C 8 53.053 -11.093 6.254 1.00 0.00 C ATOM 119 O ALA C 8 52.233 -11.275 5.377 1.00 0.00 O ATOM 120 CB ALA C 8 52.872 -9.680 8.326 1.00 0.00 C ATOM 0 H ALA C 8 54.185 -11.504 9.145 1.00 0.00 H new ATOM 0 HA ALA C 8 51.601 -11.369 7.780 1.00 0.00 H new ATOM 0 HB1 ALA C 8 52.252 -8.954 7.800 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.603 -9.689 9.382 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.921 -9.404 8.221 1.00 0.00 H new ATOM 126 N VAL C 9 54.315 -10.912 5.977 1.00 0.00 N ATOM 127 CA VAL C 9 54.778 -10.927 4.559 1.00 0.00 C ATOM 128 C VAL C 9 54.230 -12.164 3.846 1.00 0.00 C ATOM 129 O VAL C 9 53.736 -12.089 2.738 1.00 0.00 O ATOM 130 CB VAL C 9 56.304 -10.989 4.638 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.900 -10.751 3.251 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.811 -9.911 5.599 1.00 0.00 C ATOM 0 H VAL C 9 55.046 -10.754 6.671 1.00 0.00 H new ATOM 0 HA VAL C 9 54.436 -10.055 4.002 1.00 0.00 H new ATOM 0 HB VAL C 9 56.606 -11.972 5.000 1.00 0.00 H new ATOM 0 HG11 VAL C 9 57.988 -10.796 3.310 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.542 -11.518 2.565 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.596 -9.769 2.888 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.899 -9.956 5.655 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.506 -8.929 5.238 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.390 -10.080 6.590 1.00 0.00 H new ATOM 142 N GLU C 10 54.313 -13.303 4.477 1.00 0.00 N ATOM 143 CA GLU C 10 53.795 -14.550 3.844 1.00 0.00 C ATOM 144 C GLU C 10 52.297 -14.414 3.556 1.00 0.00 C ATOM 145 O GLU C 10 51.719 -15.203 2.835 1.00 0.00 O ATOM 146 CB GLU C 10 54.045 -15.648 4.877 1.00 0.00 C ATOM 147 CG GLU C 10 54.972 -16.710 4.284 1.00 0.00 C ATOM 148 CD GLU C 10 54.627 -18.077 4.878 1.00 0.00 C ATOM 149 OE1 GLU C 10 53.475 -18.276 5.225 1.00 0.00 O ATOM 150 OE2 GLU C 10 55.521 -18.901 4.976 1.00 0.00 O ATOM 0 H GLU C 10 54.718 -13.425 5.405 1.00 0.00 H new ATOM 0 HA GLU C 10 54.282 -14.765 2.893 1.00 0.00 H new ATOM 0 HB2 GLU C 10 54.492 -15.221 5.775 1.00 0.00 H new ATOM 0 HB3 GLU C 10 53.100 -16.102 5.176 1.00 0.00 H new ATOM 0 HG2 GLU C 10 54.866 -16.736 3.199 1.00 0.00 H new ATOM 0 HG3 GLU C 10 56.011 -16.461 4.497 1.00 0.00 H new ATOM 157 N GLN C 11 51.664 -13.420 4.117 1.00 0.00 N ATOM 158 CA GLN C 11 50.204 -13.233 3.879 1.00 0.00 C ATOM 159 C GLN C 11 49.982 -12.270 2.710 1.00 0.00 C ATOM 160 O GLN C 11 48.995 -11.562 2.657 1.00 0.00 O ATOM 161 CB GLN C 11 49.666 -12.633 5.178 1.00 0.00 C ATOM 162 CG GLN C 11 48.682 -13.610 5.825 1.00 0.00 C ATOM 163 CD GLN C 11 48.782 -13.504 7.347 1.00 0.00 C ATOM 164 OE1 GLN C 11 48.271 -12.572 7.938 1.00 0.00 O ATOM 165 NE2 GLN C 11 49.424 -14.424 8.012 1.00 0.00 N ATOM 0 H GLN C 11 52.095 -12.729 4.731 1.00 0.00 H new ATOM 0 HA GLN C 11 49.702 -14.166 3.623 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.489 -12.423 5.862 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.171 -11.684 4.974 1.00 0.00 H new ATOM 0 HG2 GLN C 11 47.666 -13.387 5.501 1.00 0.00 H new ATOM 0 HG3 GLN C 11 48.902 -14.629 5.506 1.00 0.00 H new ATOM 0 HE21 GLN C 11 49.853 -15.206 7.517 1.00 0.00 H new ATOM 0 HE22 GLN C 11 49.497 -14.362 9.027 1.00 0.00 H new ATOM 174 N LEU C 12 50.891 -12.237 1.775 1.00 0.00 N ATOM 175 CA LEU C 12 50.729 -11.317 0.614 1.00 0.00 C ATOM 176 C LEU C 12 50.665 -12.116 -0.690 1.00 0.00 C ATOM 177 O LEU C 12 51.677 -12.508 -1.237 1.00 0.00 O ATOM 178 CB LEU C 12 51.973 -10.430 0.635 1.00 0.00 C ATOM 179 CG LEU C 12 51.951 -9.544 1.882 1.00 0.00 C ATOM 180 CD1 LEU C 12 53.302 -8.843 2.035 1.00 0.00 C ATOM 181 CD2 LEU C 12 50.846 -8.494 1.741 1.00 0.00 C ATOM 0 H LEU C 12 51.737 -12.806 1.764 1.00 0.00 H new ATOM 0 HA LEU C 12 49.810 -10.734 0.676 1.00 0.00 H new ATOM 0 HB2 LEU C 12 52.872 -11.047 0.631 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.006 -9.812 -0.262 1.00 0.00 H new ATOM 0 HG LEU C 12 51.760 -10.159 2.761 1.00 0.00 H new ATOM 0 HD11 LEU C 12 53.286 -8.212 2.924 1.00 0.00 H new ATOM 0 HD12 LEU C 12 54.090 -9.589 2.134 1.00 0.00 H new ATOM 0 HD13 LEU C 12 53.494 -8.227 1.156 1.00 0.00 H new ATOM 0 HD21 LEU C 12 50.829 -7.862 2.629 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.038 -7.879 0.862 1.00 0.00 H new ATOM 0 HD23 LEU C 12 49.883 -8.992 1.632 1.00 0.00 H new ATOM 193 N THR C 13 49.487 -12.356 -1.195 1.00 0.00 N ATOM 194 CA THR C 13 49.367 -13.126 -2.467 1.00 0.00 C ATOM 195 C THR C 13 50.167 -12.435 -3.574 1.00 0.00 C ATOM 196 O THR C 13 50.825 -11.440 -3.345 1.00 0.00 O ATOM 197 CB THR C 13 47.873 -13.120 -2.797 1.00 0.00 C ATOM 198 OG1 THR C 13 47.445 -11.786 -3.027 1.00 0.00 O ATOM 199 CG2 THR C 13 47.086 -13.718 -1.629 1.00 0.00 C ATOM 0 H THR C 13 48.604 -12.054 -0.784 1.00 0.00 H new ATOM 0 HA THR C 13 49.757 -14.140 -2.377 1.00 0.00 H new ATOM 0 HB THR C 13 47.697 -13.717 -3.692 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.488 -11.781 -3.240 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.022 -13.713 -1.866 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.414 -14.743 -1.456 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.260 -13.125 -0.731 1.00 0.00 H new ATOM 207 N GLU C 14 50.117 -12.951 -4.771 1.00 0.00 N ATOM 208 CA GLU C 14 50.878 -12.317 -5.885 1.00 0.00 C ATOM 209 C GLU C 14 50.335 -10.912 -6.163 1.00 0.00 C ATOM 210 O GLU C 14 51.065 -10.020 -6.550 1.00 0.00 O ATOM 211 CB GLU C 14 50.649 -13.230 -7.091 1.00 0.00 C ATOM 212 CG GLU C 14 51.837 -14.182 -7.241 1.00 0.00 C ATOM 213 CD GLU C 14 51.569 -15.462 -6.446 1.00 0.00 C ATOM 214 OE1 GLU C 14 50.615 -16.149 -6.771 1.00 0.00 O ATOM 215 OE2 GLU C 14 52.324 -15.733 -5.527 1.00 0.00 O ATOM 0 H GLU C 14 49.584 -13.782 -5.026 1.00 0.00 H new ATOM 0 HA GLU C 14 51.937 -12.208 -5.653 1.00 0.00 H new ATOM 0 HB2 GLU C 14 49.728 -13.798 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.531 -12.633 -7.995 1.00 0.00 H new ATOM 0 HG2 GLU C 14 51.995 -14.421 -8.293 1.00 0.00 H new ATOM 0 HG3 GLU C 14 52.748 -13.703 -6.883 1.00 0.00 H new ATOM 222 N GLU C 15 49.062 -10.708 -5.967 1.00 0.00 N ATOM 223 CA GLU C 15 48.475 -9.360 -6.218 1.00 0.00 C ATOM 224 C GLU C 15 49.113 -8.322 -5.293 1.00 0.00 C ATOM 225 O GLU C 15 49.352 -7.195 -5.679 1.00 0.00 O ATOM 226 CB GLU C 15 46.986 -9.512 -5.907 1.00 0.00 C ATOM 227 CG GLU C 15 46.258 -10.050 -7.141 1.00 0.00 C ATOM 228 CD GLU C 15 46.215 -8.966 -8.220 1.00 0.00 C ATOM 229 OE1 GLU C 15 46.349 -7.804 -7.872 1.00 0.00 O ATOM 230 OE2 GLU C 15 46.048 -9.317 -9.376 1.00 0.00 O ATOM 0 H GLU C 15 48.402 -11.416 -5.644 1.00 0.00 H new ATOM 0 HA GLU C 15 48.646 -9.020 -7.240 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.847 -10.191 -5.065 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.565 -8.550 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.768 -10.936 -7.520 1.00 0.00 H new ATOM 0 HG3 GLU C 15 45.246 -10.354 -6.875 1.00 0.00 H new ATOM 237 N GLN C 16 49.392 -8.692 -4.072 1.00 0.00 N ATOM 238 CA GLN C 16 50.017 -7.723 -3.123 1.00 0.00 C ATOM 239 C GLN C 16 51.521 -7.639 -3.383 1.00 0.00 C ATOM 240 O GLN C 16 52.057 -6.587 -3.668 1.00 0.00 O ATOM 241 CB GLN C 16 49.755 -8.286 -1.720 1.00 0.00 C ATOM 242 CG GLN C 16 48.387 -8.970 -1.672 1.00 0.00 C ATOM 243 CD GLN C 16 47.885 -9.005 -0.228 1.00 0.00 C ATOM 244 OE1 GLN C 16 47.509 -10.047 0.272 1.00 0.00 O ATOM 245 NE2 GLN C 16 47.862 -7.901 0.468 1.00 0.00 N ATOM 0 H GLN C 16 49.215 -9.621 -3.690 1.00 0.00 H new ATOM 0 HA GLN C 16 49.605 -6.720 -3.237 1.00 0.00 H new ATOM 0 HB2 GLN C 16 50.536 -8.999 -1.455 1.00 0.00 H new ATOM 0 HB3 GLN C 16 49.794 -7.482 -0.985 1.00 0.00 H new ATOM 0 HG2 GLN C 16 47.678 -8.433 -2.302 1.00 0.00 H new ATOM 0 HG3 GLN C 16 48.461 -9.983 -2.067 1.00 0.00 H new ATOM 0 HE21 GLN C 16 48.178 -7.027 0.048 1.00 0.00 H new ATOM 0 HE22 GLN C 16 47.528 -7.913 1.432 1.00 0.00 H new ATOM 254 N LYS C 17 52.204 -8.745 -3.284 1.00 0.00 N ATOM 255 CA LYS C 17 53.676 -8.736 -3.524 1.00 0.00 C ATOM 256 C LYS C 17 54.000 -7.946 -4.795 1.00 0.00 C ATOM 257 O LYS C 17 54.795 -7.028 -4.781 1.00 0.00 O ATOM 258 CB LYS C 17 54.058 -10.207 -3.695 1.00 0.00 C ATOM 259 CG LYS C 17 55.138 -10.574 -2.677 1.00 0.00 C ATOM 260 CD LYS C 17 54.610 -11.661 -1.739 1.00 0.00 C ATOM 261 CE LYS C 17 55.552 -12.866 -1.772 1.00 0.00 C ATOM 262 NZ LYS C 17 55.000 -13.758 -2.830 1.00 0.00 N ATOM 0 H LYS C 17 51.808 -9.655 -3.048 1.00 0.00 H new ATOM 0 HA LYS C 17 54.225 -8.264 -2.709 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.182 -10.840 -3.556 1.00 0.00 H new ATOM 0 HB3 LYS C 17 54.422 -10.384 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS C 17 56.032 -10.926 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS C 17 55.426 -9.693 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS C 17 54.533 -11.274 -0.723 1.00 0.00 H new ATOM 0 HD3 LYS C 17 53.607 -11.962 -2.042 1.00 0.00 H new ATOM 0 HE2 LYS C 17 56.573 -12.563 -2.005 1.00 0.00 H new ATOM 0 HE3 LYS C 17 55.582 -13.370 -0.806 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 55.594 -14.608 -2.912 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 54.030 -14.036 -2.578 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 54.991 -13.253 -3.739 1.00 0.00 H new ATOM 276 N ASN C 18 53.388 -8.296 -5.893 1.00 0.00 N ATOM 277 CA ASN C 18 53.661 -7.564 -7.163 1.00 0.00 C ATOM 278 C ASN C 18 53.402 -6.067 -6.973 1.00 0.00 C ATOM 279 O ASN C 18 53.973 -5.237 -7.651 1.00 0.00 O ATOM 280 CB ASN C 18 52.685 -8.156 -8.180 1.00 0.00 C ATOM 281 CG ASN C 18 52.923 -9.663 -8.297 1.00 0.00 C ATOM 282 OD1 ASN C 18 53.960 -10.158 -7.900 1.00 0.00 O ATOM 283 ND2 ASN C 18 52.001 -10.418 -8.827 1.00 0.00 N ATOM 0 H ASN C 18 52.712 -9.056 -5.966 1.00 0.00 H new ATOM 0 HA ASN C 18 54.696 -7.668 -7.488 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.658 -7.962 -7.870 1.00 0.00 H new ATOM 0 HB3 ASN C 18 52.821 -7.679 -9.151 1.00 0.00 H new ATOM 0 HD21 ASN C 18 52.150 -11.424 -8.908 1.00 0.00 H new ATOM 0 HD22 ASN C 18 51.131 -10.003 -9.160 1.00 0.00 H new ATOM 290 N GLU C 19 52.544 -5.718 -6.054 1.00 0.00 N ATOM 291 CA GLU C 19 52.252 -4.275 -5.819 1.00 0.00 C ATOM 292 C GLU C 19 53.508 -3.563 -5.309 1.00 0.00 C ATOM 293 O GLU C 19 53.909 -2.542 -5.832 1.00 0.00 O ATOM 294 CB GLU C 19 51.155 -4.261 -4.754 1.00 0.00 C ATOM 295 CG GLU C 19 50.041 -3.306 -5.183 1.00 0.00 C ATOM 296 CD GLU C 19 49.767 -2.301 -4.064 1.00 0.00 C ATOM 297 OE1 GLU C 19 50.429 -1.276 -4.040 1.00 0.00 O ATOM 298 OE2 GLU C 19 48.902 -2.573 -3.248 1.00 0.00 O ATOM 0 H GLU C 19 52.033 -6.368 -5.457 1.00 0.00 H new ATOM 0 HA GLU C 19 51.941 -3.760 -6.728 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.755 -5.265 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.568 -3.948 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU C 19 50.329 -2.781 -6.094 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.135 -3.867 -5.411 1.00 0.00 H new ATOM 305 N PHE C 20 54.132 -4.098 -4.297 1.00 0.00 N ATOM 306 CA PHE C 20 55.365 -3.456 -3.758 1.00 0.00 C ATOM 307 C PHE C 20 56.448 -3.418 -4.838 1.00 0.00 C ATOM 308 O PHE C 20 57.209 -2.477 -4.935 1.00 0.00 O ATOM 309 CB PHE C 20 55.797 -4.347 -2.594 1.00 0.00 C ATOM 310 CG PHE C 20 54.701 -4.392 -1.557 1.00 0.00 C ATOM 311 CD1 PHE C 20 54.418 -3.256 -0.789 1.00 0.00 C ATOM 312 CD2 PHE C 20 53.968 -5.568 -1.363 1.00 0.00 C ATOM 313 CE1 PHE C 20 53.403 -3.296 0.172 1.00 0.00 C ATOM 314 CE2 PHE C 20 52.951 -5.608 -0.401 1.00 0.00 C ATOM 315 CZ PHE C 20 52.669 -4.472 0.367 1.00 0.00 C ATOM 0 H PHE C 20 53.842 -4.952 -3.819 1.00 0.00 H new ATOM 0 HA PHE C 20 55.195 -2.427 -3.440 1.00 0.00 H new ATOM 0 HB2 PHE C 20 56.013 -5.353 -2.954 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.716 -3.963 -2.150 1.00 0.00 H new ATOM 0 HD1 PHE C 20 54.984 -2.348 -0.939 1.00 0.00 H new ATOM 0 HD2 PHE C 20 54.186 -6.445 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE C 20 53.185 -2.419 0.764 1.00 0.00 H new ATOM 0 HE2 PHE C 20 52.384 -6.515 -0.252 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.885 -4.503 1.110 1.00 0.00 H new ATOM 325 N LYS C 21 56.519 -4.435 -5.652 1.00 0.00 N ATOM 326 CA LYS C 21 57.549 -4.459 -6.727 1.00 0.00 C ATOM 327 C LYS C 21 57.547 -3.126 -7.482 1.00 0.00 C ATOM 328 O LYS C 21 58.544 -2.717 -8.042 1.00 0.00 O ATOM 329 CB LYS C 21 57.129 -5.602 -7.651 1.00 0.00 C ATOM 330 CG LYS C 21 57.616 -6.932 -7.071 1.00 0.00 C ATOM 331 CD LYS C 21 58.617 -7.574 -8.034 1.00 0.00 C ATOM 332 CE LYS C 21 57.965 -8.776 -8.722 1.00 0.00 C ATOM 333 NZ LYS C 21 57.381 -8.231 -9.978 1.00 0.00 N ATOM 0 H LYS C 21 55.908 -5.251 -5.619 1.00 0.00 H new ATOM 0 HA LYS C 21 58.556 -4.603 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.045 -5.616 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.548 -5.452 -8.646 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.084 -6.768 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS C 21 56.771 -7.601 -6.909 1.00 0.00 H new ATOM 0 HD2 LYS C 21 58.940 -6.846 -8.779 1.00 0.00 H new ATOM 0 HD3 LYS C 21 59.508 -7.891 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS C 21 58.697 -9.555 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS C 21 57.197 -9.223 -8.091 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 56.916 -8.997 -10.505 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 56.682 -7.496 -9.746 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 58.136 -7.818 -10.562 1.00 0.00 H new ATOM 347 N ALA C 22 56.433 -2.448 -7.498 1.00 0.00 N ATOM 348 CA ALA C 22 56.366 -1.142 -8.213 1.00 0.00 C ATOM 349 C ALA C 22 57.341 -0.146 -7.579 1.00 0.00 C ATOM 350 O ALA C 22 58.345 0.212 -8.161 1.00 0.00 O ATOM 351 CB ALA C 22 54.924 -0.668 -8.035 1.00 0.00 C ATOM 0 H ALA C 22 55.566 -2.741 -7.047 1.00 0.00 H new ATOM 0 HA ALA C 22 56.639 -1.230 -9.265 1.00 0.00 H new ATOM 0 HB1 ALA C 22 54.792 0.292 -8.535 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.244 -1.400 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.706 -0.557 -6.973 1.00 0.00 H new ATOM 357 N ALA C 23 57.053 0.301 -6.387 1.00 0.00 N ATOM 358 CA ALA C 23 57.963 1.270 -5.714 1.00 0.00 C ATOM 359 C ALA C 23 59.406 0.765 -5.778 1.00 0.00 C ATOM 360 O ALA C 23 60.327 1.514 -6.035 1.00 0.00 O ATOM 361 CB ALA C 23 57.478 1.327 -4.265 1.00 0.00 C ATOM 0 H ALA C 23 56.227 0.037 -5.850 1.00 0.00 H new ATOM 0 HA ALA C 23 57.947 2.252 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.099 2.022 -3.700 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.442 1.665 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.546 0.335 -3.819 1.00 0.00 H new ATOM 367 N PHE C 24 59.609 -0.504 -5.548 1.00 0.00 N ATOM 368 CA PHE C 24 60.991 -1.060 -5.597 1.00 0.00 C ATOM 369 C PHE C 24 61.681 -0.645 -6.899 1.00 0.00 C ATOM 370 O PHE C 24 62.825 -0.234 -6.903 1.00 0.00 O ATOM 371 CB PHE C 24 60.807 -2.576 -5.547 1.00 0.00 C ATOM 372 CG PHE C 24 62.153 -3.253 -5.654 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.960 -3.389 -4.519 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.593 -3.743 -6.889 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.208 -4.016 -4.618 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.841 -4.370 -6.989 1.00 0.00 C ATOM 377 CZ PHE C 24 64.648 -4.506 -5.854 1.00 0.00 C ATOM 0 H PHE C 24 58.877 -1.180 -5.328 1.00 0.00 H new ATOM 0 HA PHE C 24 61.613 -0.697 -4.779 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.317 -2.863 -4.616 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.159 -2.901 -6.361 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.620 -3.010 -3.566 1.00 0.00 H new ATOM 0 HD2 PHE C 24 61.970 -3.637 -7.765 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.831 -4.122 -3.742 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.181 -4.748 -7.942 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.611 -4.989 -5.931 1.00 0.00 H new ATOM 387 N ASP C 25 60.995 -0.750 -8.003 1.00 0.00 N ATOM 388 CA ASP C 25 61.611 -0.361 -9.304 1.00 0.00 C ATOM 389 C ASP C 25 61.874 1.147 -9.336 1.00 0.00 C ATOM 390 O ASP C 25 62.899 1.598 -9.804 1.00 0.00 O ATOM 391 CB ASP C 25 60.578 -0.750 -10.363 1.00 0.00 C ATOM 392 CG ASP C 25 60.759 -2.222 -10.739 1.00 0.00 C ATOM 393 OD1 ASP C 25 60.884 -3.033 -9.834 1.00 0.00 O ATOM 394 OD2 ASP C 25 60.769 -2.515 -11.922 1.00 0.00 O ATOM 0 H ASP C 25 60.034 -1.088 -8.061 1.00 0.00 H new ATOM 0 HA ASP C 25 62.570 -0.852 -9.471 1.00 0.00 H new ATOM 0 HB2 ASP C 25 59.571 -0.583 -9.982 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.693 -0.122 -11.246 1.00 0.00 H new ATOM 399 N ILE C 26 60.954 1.930 -8.839 1.00 0.00 N ATOM 400 CA ILE C 26 61.154 3.408 -8.838 1.00 0.00 C ATOM 401 C ILE C 26 62.164 3.801 -7.755 1.00 0.00 C ATOM 402 O ILE C 26 62.780 4.847 -7.814 1.00 0.00 O ATOM 403 CB ILE C 26 59.774 3.993 -8.526 1.00 0.00 C ATOM 404 CG1 ILE C 26 58.901 3.940 -9.782 1.00 0.00 C ATOM 405 CG2 ILE C 26 59.921 5.447 -8.073 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.053 2.666 -9.762 1.00 0.00 C ATOM 0 H ILE C 26 60.074 1.610 -8.434 1.00 0.00 H new ATOM 0 HA ILE C 26 61.546 3.775 -9.786 1.00 0.00 H new ATOM 0 HB ILE C 26 59.308 3.411 -7.731 1.00 0.00 H new ATOM 0 HG12 ILE C 26 58.256 4.818 -9.827 1.00 0.00 H new ATOM 0 HG13 ILE C 26 59.527 3.959 -10.674 1.00 0.00 H new ATOM 0 HG21 ILE C 26 58.937 5.860 -7.852 1.00 0.00 H new ATOM 0 HG22 ILE C 26 60.542 5.488 -7.178 1.00 0.00 H new ATOM 0 HG23 ILE C 26 60.389 6.030 -8.866 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.431 2.629 -10.657 1.00 0.00 H new ATOM 0 HD12 ILE C 26 58.707 1.794 -9.738 1.00 0.00 H new ATOM 0 HD13 ILE C 26 57.416 2.667 -8.877 1.00 0.00 H new ATOM 418 N PHE C 27 62.333 2.968 -6.766 1.00 0.00 N ATOM 419 CA PHE C 27 63.296 3.283 -5.671 1.00 0.00 C ATOM 420 C PHE C 27 64.740 3.158 -6.175 1.00 0.00 C ATOM 421 O PHE C 27 65.551 4.044 -5.987 1.00 0.00 O ATOM 422 CB PHE C 27 63.003 2.240 -4.595 1.00 0.00 C ATOM 423 CG PHE C 27 61.958 2.780 -3.648 1.00 0.00 C ATOM 424 CD1 PHE C 27 60.942 3.612 -4.133 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.005 2.451 -2.289 1.00 0.00 C ATOM 426 CE1 PHE C 27 59.972 4.115 -3.258 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.035 2.954 -1.414 1.00 0.00 C ATOM 428 CZ PHE C 27 60.018 3.787 -1.898 1.00 0.00 C ATOM 0 H PHE C 27 61.844 2.078 -6.668 1.00 0.00 H new ATOM 0 HA PHE C 27 63.188 4.301 -5.298 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.652 1.316 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.915 1.998 -4.049 1.00 0.00 H new ATOM 0 HD1 PHE C 27 60.907 3.866 -5.182 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.789 1.809 -1.915 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.188 4.756 -3.632 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.071 2.700 -0.365 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.270 4.176 -1.223 1.00 0.00 H new ATOM 438 N VAL C 28 65.069 2.065 -6.814 1.00 0.00 N ATOM 439 CA VAL C 28 66.461 1.886 -7.328 1.00 0.00 C ATOM 440 C VAL C 28 66.599 2.507 -8.720 1.00 0.00 C ATOM 441 O VAL C 28 67.525 2.214 -9.450 1.00 0.00 O ATOM 442 CB VAL C 28 66.663 0.374 -7.413 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.274 -0.275 -6.084 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.785 -0.186 -8.535 1.00 0.00 C ATOM 0 H VAL C 28 64.435 1.289 -7.002 1.00 0.00 H new ATOM 0 HA VAL C 28 67.196 2.367 -6.684 1.00 0.00 H new ATOM 0 HB VAL C 28 67.710 0.156 -7.622 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.420 -1.353 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.898 0.128 -5.286 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.227 -0.063 -5.868 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.924 -1.265 -8.602 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.739 0.033 -8.322 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.066 0.275 -9.482 1.00 0.00 H new ATOM 454 N LEU C 29 65.683 3.354 -9.100 1.00 0.00 N ATOM 455 CA LEU C 29 65.765 3.978 -10.451 1.00 0.00 C ATOM 456 C LEU C 29 67.173 4.521 -10.710 1.00 0.00 C ATOM 457 O LEU C 29 67.676 4.466 -11.814 1.00 0.00 O ATOM 458 CB LEU C 29 64.750 5.121 -10.422 1.00 0.00 C ATOM 459 CG LEU C 29 64.301 5.440 -11.850 1.00 0.00 C ATOM 460 CD1 LEU C 29 62.938 6.132 -11.813 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.324 6.367 -12.510 1.00 0.00 C ATOM 0 H LEU C 29 64.883 3.641 -8.536 1.00 0.00 H new ATOM 0 HA LEU C 29 65.554 3.261 -11.244 1.00 0.00 H new ATOM 0 HB2 LEU C 29 63.890 4.843 -9.812 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.194 6.004 -9.963 1.00 0.00 H new ATOM 0 HG LEU C 29 64.224 4.515 -12.422 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.618 6.359 -12.830 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.208 5.474 -11.341 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.015 7.057 -11.241 1.00 0.00 H new ATOM 0 HD21 LEU C 29 65.005 6.595 -13.527 1.00 0.00 H new ATOM 0 HD22 LEU C 29 65.400 7.292 -11.938 1.00 0.00 H new ATOM 0 HD23 LEU C 29 66.297 5.876 -12.536 1.00 0.00 H new ATOM 473 N GLY C 30 67.814 5.047 -9.702 1.00 0.00 N ATOM 474 CA GLY C 30 69.186 5.595 -9.899 1.00 0.00 C ATOM 475 C GLY C 30 70.223 4.533 -9.526 1.00 0.00 C ATOM 476 O GLY C 30 71.406 4.709 -9.736 1.00 0.00 O ATOM 0 H GLY C 30 67.448 5.121 -8.753 1.00 0.00 H new ATOM 0 HA2 GLY C 30 69.321 5.900 -10.937 1.00 0.00 H new ATOM 0 HA3 GLY C 30 69.325 6.484 -9.284 1.00 0.00 H new ATOM 480 N ALA C 31 69.790 3.434 -8.973 1.00 0.00 N ATOM 481 CA ALA C 31 70.756 2.366 -8.588 1.00 0.00 C ATOM 482 C ALA C 31 71.216 1.594 -9.828 1.00 0.00 C ATOM 483 O ALA C 31 70.500 1.486 -10.804 1.00 0.00 O ATOM 484 CB ALA C 31 69.978 1.449 -7.644 1.00 0.00 C ATOM 0 H ALA C 31 68.811 3.229 -8.771 1.00 0.00 H new ATOM 0 HA ALA C 31 71.652 2.771 -8.117 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.623 0.634 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.643 2.019 -6.777 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.113 1.039 -8.166 1.00 0.00 H new ATOM 490 N GLU C 32 72.402 1.054 -9.795 1.00 0.00 N ATOM 491 CA GLU C 32 72.905 0.288 -10.970 1.00 0.00 C ATOM 492 C GLU C 32 72.813 -1.214 -10.693 1.00 0.00 C ATOM 493 O GLU C 32 72.884 -2.027 -11.593 1.00 0.00 O ATOM 494 CB GLU C 32 74.364 0.718 -11.130 1.00 0.00 C ATOM 495 CG GLU C 32 75.031 -0.134 -12.212 1.00 0.00 C ATOM 496 CD GLU C 32 74.535 0.311 -13.591 1.00 0.00 C ATOM 497 OE1 GLU C 32 74.573 1.501 -13.857 1.00 0.00 O ATOM 498 OE2 GLU C 32 74.127 -0.548 -14.356 1.00 0.00 O ATOM 0 H GLU C 32 73.045 1.110 -9.005 1.00 0.00 H new ATOM 0 HA GLU C 32 72.325 0.482 -11.872 1.00 0.00 H new ATOM 0 HB2 GLU C 32 74.416 1.773 -11.399 1.00 0.00 H new ATOM 0 HB3 GLU C 32 74.894 0.604 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU C 32 76.115 -0.032 -12.153 1.00 0.00 H new ATOM 0 HG3 GLU C 32 74.801 -1.188 -12.054 1.00 0.00 H new ATOM 505 N ASP C 33 72.653 -1.588 -9.452 1.00 0.00 N ATOM 506 CA ASP C 33 72.552 -3.038 -9.118 1.00 0.00 C ATOM 507 C ASP C 33 71.101 -3.404 -8.793 1.00 0.00 C ATOM 508 O ASP C 33 70.369 -3.885 -9.635 1.00 0.00 O ATOM 509 CB ASP C 33 73.446 -3.226 -7.890 1.00 0.00 C ATOM 510 CG ASP C 33 74.795 -3.803 -8.323 1.00 0.00 C ATOM 511 OD1 ASP C 33 75.344 -3.310 -9.294 1.00 0.00 O ATOM 512 OD2 ASP C 33 75.257 -4.728 -7.674 1.00 0.00 O ATOM 0 H ASP C 33 72.588 -0.953 -8.656 1.00 0.00 H new ATOM 0 HA ASP C 33 72.861 -3.677 -9.945 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.592 -2.272 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP C 33 72.965 -3.895 -7.176 1.00 0.00 H new ATOM 517 N GLY C 34 70.676 -3.177 -7.578 1.00 0.00 N ATOM 518 CA GLY C 34 69.270 -3.512 -7.210 1.00 0.00 C ATOM 519 C GLY C 34 69.039 -3.229 -5.724 1.00 0.00 C ATOM 520 O GLY C 34 68.274 -3.906 -5.066 1.00 0.00 O ATOM 0 H GLY C 34 71.239 -2.776 -6.828 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.577 -2.925 -7.813 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.069 -4.562 -7.425 1.00 0.00 H new ATOM 524 N CYS C 35 69.687 -2.230 -5.191 1.00 0.00 N ATOM 525 CA CYS C 35 69.495 -1.901 -3.748 1.00 0.00 C ATOM 526 C CYS C 35 68.921 -0.490 -3.611 1.00 0.00 C ATOM 527 O CYS C 35 68.949 0.290 -4.542 1.00 0.00 O ATOM 528 CB CYS C 35 70.892 -1.977 -3.132 1.00 0.00 C ATOM 529 SG CYS C 35 71.953 -0.717 -3.882 1.00 0.00 S ATOM 0 H CYS C 35 70.341 -1.627 -5.691 1.00 0.00 H new ATOM 0 HA CYS C 35 68.800 -2.580 -3.254 1.00 0.00 H new ATOM 0 HB2 CYS C 35 70.834 -1.824 -2.054 1.00 0.00 H new ATOM 0 HB3 CYS C 35 71.318 -2.968 -3.291 1.00 0.00 H new ATOM 0 HG CYS C 35 71.399 0.451 -3.750 1.00 0.00 H new ATOM 535 N ILE C 36 68.392 -0.150 -2.466 1.00 0.00 N ATOM 536 CA ILE C 36 67.816 1.216 -2.306 1.00 0.00 C ATOM 537 C ILE C 36 68.390 1.931 -1.086 1.00 0.00 C ATOM 538 O ILE C 36 68.020 1.660 0.039 1.00 0.00 O ATOM 539 CB ILE C 36 66.318 1.016 -2.109 1.00 0.00 C ATOM 540 CG1 ILE C 36 65.715 0.363 -3.353 1.00 0.00 C ATOM 541 CG2 ILE C 36 65.670 2.382 -1.874 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.335 -0.204 -3.015 1.00 0.00 C ATOM 0 H ILE C 36 68.334 -0.751 -1.644 1.00 0.00 H new ATOM 0 HA ILE C 36 68.050 1.829 -3.176 1.00 0.00 H new ATOM 0 HB ILE C 36 66.139 0.367 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.632 1.095 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.368 -0.432 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE C 36 64.597 2.256 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE C 36 66.103 2.842 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE C 36 65.848 3.023 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE C 36 63.906 -0.669 -3.902 1.00 0.00 H new ATOM 0 HD12 ILE C 36 64.431 -0.949 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE C 36 63.684 0.602 -2.677 1.00 0.00 H new ATOM 554 N SER C 37 69.259 2.872 -1.303 1.00 0.00 N ATOM 555 CA SER C 37 69.822 3.642 -0.163 1.00 0.00 C ATOM 556 C SER C 37 69.158 5.019 -0.153 1.00 0.00 C ATOM 557 O SER C 37 68.481 5.383 -1.093 1.00 0.00 O ATOM 558 CB SER C 37 71.321 3.761 -0.448 1.00 0.00 C ATOM 559 OG SER C 37 71.617 3.151 -1.699 1.00 0.00 O ATOM 0 H SER C 37 69.606 3.143 -2.223 1.00 0.00 H new ATOM 0 HA SER C 37 69.652 3.171 0.805 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.617 4.810 -0.464 1.00 0.00 H new ATOM 0 HB3 SER C 37 71.892 3.281 0.347 1.00 0.00 H new ATOM 0 HG SER C 37 72.577 3.229 -1.882 1.00 0.00 H new ATOM 565 N THR C 38 69.336 5.792 0.882 1.00 0.00 N ATOM 566 CA THR C 38 68.699 7.142 0.899 1.00 0.00 C ATOM 567 C THR C 38 68.900 7.812 -0.463 1.00 0.00 C ATOM 568 O THR C 38 68.117 8.641 -0.882 1.00 0.00 O ATOM 569 CB THR C 38 69.424 7.916 2.000 1.00 0.00 C ATOM 570 OG1 THR C 38 70.804 8.016 1.676 1.00 0.00 O ATOM 571 CG2 THR C 38 69.264 7.181 3.332 1.00 0.00 C ATOM 0 H THR C 38 69.887 5.554 1.707 1.00 0.00 H new ATOM 0 HA THR C 38 67.626 7.101 1.087 1.00 0.00 H new ATOM 0 HB THR C 38 68.996 8.915 2.084 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.270 8.513 2.380 1.00 0.00 H new ATOM 0 HG21 THR C 38 69.781 7.733 4.117 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.205 7.104 3.580 1.00 0.00 H new ATOM 0 HG23 THR C 38 69.691 6.182 3.250 1.00 0.00 H new ATOM 579 N LYS C 39 69.939 7.437 -1.166 1.00 0.00 N ATOM 580 CA LYS C 39 70.184 8.031 -2.512 1.00 0.00 C ATOM 581 C LYS C 39 69.148 7.493 -3.502 1.00 0.00 C ATOM 582 O LYS C 39 68.620 8.221 -4.319 1.00 0.00 O ATOM 583 CB LYS C 39 71.590 7.572 -2.901 1.00 0.00 C ATOM 584 CG LYS C 39 72.310 8.701 -3.644 1.00 0.00 C ATOM 585 CD LYS C 39 73.721 8.869 -3.076 1.00 0.00 C ATOM 586 CE LYS C 39 74.687 7.952 -3.827 1.00 0.00 C ATOM 587 NZ LYS C 39 76.039 8.518 -3.564 1.00 0.00 N ATOM 0 H LYS C 39 70.626 6.746 -0.865 1.00 0.00 H new ATOM 0 HA LYS C 39 70.103 9.118 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS C 39 72.152 7.293 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.533 6.686 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.360 8.475 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS C 39 71.752 9.632 -3.541 1.00 0.00 H new ATOM 0 HD2 LYS C 39 74.041 9.907 -3.170 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.727 8.629 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS C 39 74.613 6.924 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS C 39 74.467 7.936 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 76.757 7.941 -4.048 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 76.082 9.494 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 76.224 8.514 -2.541 1.00 0.00 H new ATOM 601 N GLU C 40 68.837 6.225 -3.421 1.00 0.00 N ATOM 602 CA GLU C 40 67.818 5.646 -4.340 1.00 0.00 C ATOM 603 C GLU C 40 66.439 5.809 -3.706 1.00 0.00 C ATOM 604 O GLU C 40 65.433 5.896 -4.379 1.00 0.00 O ATOM 605 CB GLU C 40 68.181 4.166 -4.462 1.00 0.00 C ATOM 606 CG GLU C 40 69.472 4.017 -5.267 1.00 0.00 C ATOM 607 CD GLU C 40 70.599 3.541 -4.348 1.00 0.00 C ATOM 608 OE1 GLU C 40 70.426 2.514 -3.714 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.616 4.213 -4.296 1.00 0.00 O ATOM 0 H GLU C 40 69.246 5.567 -2.757 1.00 0.00 H new ATOM 0 HA GLU C 40 67.799 6.130 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU C 40 68.306 3.730 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.372 3.622 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.326 3.304 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.740 4.970 -5.724 1.00 0.00 H new ATOM 616 N LEU C 41 66.401 5.862 -2.404 1.00 0.00 N ATOM 617 CA LEU C 41 65.106 6.032 -1.692 1.00 0.00 C ATOM 618 C LEU C 41 64.693 7.507 -1.730 1.00 0.00 C ATOM 619 O LEU C 41 63.628 7.853 -2.201 1.00 0.00 O ATOM 620 CB LEU C 41 65.394 5.582 -0.254 1.00 0.00 C ATOM 621 CG LEU C 41 64.085 5.259 0.475 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.039 6.322 0.151 1.00 0.00 C ATOM 623 CD2 LEU C 41 63.573 3.889 0.028 1.00 0.00 C ATOM 0 H LEU C 41 67.219 5.794 -1.799 1.00 0.00 H new ATOM 0 HA LEU C 41 64.293 5.460 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU C 41 66.039 4.704 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.931 6.367 0.279 1.00 0.00 H new ATOM 0 HG LEU C 41 64.267 5.246 1.550 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.110 6.089 0.671 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.400 7.298 0.474 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.859 6.339 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU C 41 62.642 3.661 0.547 1.00 0.00 H new ATOM 0 HD22 LEU C 41 63.395 3.900 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU C 41 64.316 3.128 0.265 1.00 0.00 H new ATOM 635 N GLY C 42 65.531 8.377 -1.235 1.00 0.00 N ATOM 636 CA GLY C 42 65.191 9.828 -1.238 1.00 0.00 C ATOM 637 C GLY C 42 64.765 10.254 -2.644 1.00 0.00 C ATOM 638 O GLY C 42 64.049 11.219 -2.819 1.00 0.00 O ATOM 0 H GLY C 42 66.437 8.145 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.387 10.025 -0.529 1.00 0.00 H new ATOM 0 HA3 GLY C 42 66.052 10.414 -0.915 1.00 0.00 H new ATOM 642 N LYS C 43 65.196 9.541 -3.649 1.00 0.00 N ATOM 643 CA LYS C 43 64.811 9.910 -5.041 1.00 0.00 C ATOM 644 C LYS C 43 63.287 9.970 -5.167 1.00 0.00 C ATOM 645 O LYS C 43 62.746 10.794 -5.876 1.00 0.00 O ATOM 646 CB LYS C 43 65.379 8.794 -5.918 1.00 0.00 C ATOM 647 CG LYS C 43 66.681 9.268 -6.567 1.00 0.00 C ATOM 648 CD LYS C 43 66.389 9.819 -7.962 1.00 0.00 C ATOM 649 CE LYS C 43 66.992 8.888 -9.015 1.00 0.00 C ATOM 650 NZ LYS C 43 68.465 9.073 -8.894 1.00 0.00 N ATOM 0 H LYS C 43 65.797 8.721 -3.567 1.00 0.00 H new ATOM 0 HA LYS C 43 65.193 10.889 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.563 7.903 -5.318 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.657 8.517 -6.686 1.00 0.00 H new ATOM 0 HG2 LYS C 43 67.147 10.038 -5.951 1.00 0.00 H new ATOM 0 HG3 LYS C 43 67.388 8.441 -6.633 1.00 0.00 H new ATOM 0 HD2 LYS C 43 65.313 9.907 -8.112 1.00 0.00 H new ATOM 0 HD3 LYS C 43 66.808 10.820 -8.064 1.00 0.00 H new ATOM 0 HE2 LYS C 43 66.708 7.851 -8.834 1.00 0.00 H new ATOM 0 HE3 LYS C 43 66.643 9.144 -10.015 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 68.912 8.915 -9.820 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 68.668 10.041 -8.572 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 68.845 8.393 -8.205 1.00 0.00 H new ATOM 664 N VAL C 44 62.590 9.106 -4.480 1.00 0.00 N ATOM 665 CA VAL C 44 61.103 9.120 -4.560 1.00 0.00 C ATOM 666 C VAL C 44 60.543 10.232 -3.669 1.00 0.00 C ATOM 667 O VAL C 44 59.501 10.793 -3.941 1.00 0.00 O ATOM 668 CB VAL C 44 60.665 7.749 -4.044 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.161 7.766 -3.769 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.977 6.685 -5.099 1.00 0.00 C ATOM 0 H VAL C 44 62.986 8.393 -3.868 1.00 0.00 H new ATOM 0 HA VAL C 44 60.743 9.307 -5.572 1.00 0.00 H new ATOM 0 HB VAL C 44 61.201 7.518 -3.124 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.847 6.789 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL C 44 58.937 8.525 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.625 7.996 -4.690 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.665 5.707 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.440 6.916 -6.019 1.00 0.00 H new ATOM 0 HG23 VAL C 44 62.049 6.673 -5.298 1.00 0.00 H new ATOM 680 N MET C 45 61.231 10.554 -2.608 1.00 0.00 N ATOM 681 CA MET C 45 60.738 11.632 -1.703 1.00 0.00 C ATOM 682 C MET C 45 60.512 12.919 -2.499 1.00 0.00 C ATOM 683 O MET C 45 59.449 13.506 -2.460 1.00 0.00 O ATOM 684 CB MET C 45 61.852 11.823 -0.672 1.00 0.00 C ATOM 685 CG MET C 45 61.567 10.954 0.554 1.00 0.00 C ATOM 686 SD MET C 45 61.704 9.207 0.100 1.00 0.00 S ATOM 687 CE MET C 45 59.958 8.935 -0.285 1.00 0.00 C ATOM 0 H MET C 45 62.110 10.119 -2.329 1.00 0.00 H new ATOM 0 HA MET C 45 59.789 11.379 -1.231 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.814 11.553 -1.107 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.917 12.871 -0.381 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.271 11.190 1.352 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.569 11.164 0.938 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.739 7.868 -0.246 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.339 9.459 0.443 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.742 9.314 -1.284 1.00 0.00 H new ATOM 697 N ARG C 46 61.503 13.360 -3.225 1.00 0.00 N ATOM 698 CA ARG C 46 61.340 14.606 -4.027 1.00 0.00 C ATOM 699 C ARG C 46 60.225 14.419 -5.058 1.00 0.00 C ATOM 700 O ARG C 46 59.707 15.370 -5.609 1.00 0.00 O ATOM 701 CB ARG C 46 62.687 14.807 -4.724 1.00 0.00 C ATOM 702 CG ARG C 46 63.083 13.518 -5.447 1.00 0.00 C ATOM 703 CD ARG C 46 63.234 13.796 -6.944 1.00 0.00 C ATOM 704 NE ARG C 46 64.588 14.401 -7.087 1.00 0.00 N ATOM 705 CZ ARG C 46 65.453 13.876 -7.911 1.00 0.00 C ATOM 706 NH1 ARG C 46 65.304 14.029 -9.199 1.00 0.00 N ATOM 707 NH2 ARG C 46 66.468 13.200 -7.448 1.00 0.00 N ATOM 0 H ARG C 46 62.417 12.912 -3.297 1.00 0.00 H new ATOM 0 HA ARG C 46 61.069 15.465 -3.413 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.622 15.630 -5.435 1.00 0.00 H new ATOM 0 HB3 ARG C 46 63.450 15.076 -3.994 1.00 0.00 H new ATOM 0 HG2 ARG C 46 64.019 13.134 -5.042 1.00 0.00 H new ATOM 0 HG3 ARG C 46 62.327 12.750 -5.284 1.00 0.00 H new ATOM 0 HD2 ARG C 46 63.148 12.879 -7.527 1.00 0.00 H new ATOM 0 HD3 ARG C 46 62.459 14.474 -7.300 1.00 0.00 H new ATOM 0 HE ARG C 46 64.839 15.225 -6.541 1.00 0.00 H new ATOM 0 HH11 ARG C 46 64.511 14.559 -9.561 1.00 0.00 H new ATOM 0 HH12 ARG C 46 65.980 13.619 -9.843 1.00 0.00 H new ATOM 0 HH21 ARG C 46 66.586 13.082 -6.442 1.00 0.00 H new ATOM 0 HH22 ARG C 46 67.144 12.790 -8.092 1.00 0.00 H new ATOM 721 N MET C 47 59.851 13.196 -5.321 1.00 0.00 N ATOM 722 CA MET C 47 58.770 12.941 -6.315 1.00 0.00 C ATOM 723 C MET C 47 57.397 13.078 -5.653 1.00 0.00 C ATOM 724 O MET C 47 56.455 13.563 -6.248 1.00 0.00 O ATOM 725 CB MET C 47 58.999 11.504 -6.786 1.00 0.00 C ATOM 726 CG MET C 47 59.460 11.514 -8.244 1.00 0.00 C ATOM 727 SD MET C 47 58.667 10.154 -9.137 1.00 0.00 S ATOM 728 CE MET C 47 59.318 8.806 -8.122 1.00 0.00 C ATOM 0 H MET C 47 60.248 12.361 -4.890 1.00 0.00 H new ATOM 0 HA MET C 47 58.793 13.651 -7.142 1.00 0.00 H new ATOM 0 HB2 MET C 47 59.748 11.019 -6.160 1.00 0.00 H new ATOM 0 HB3 MET C 47 58.080 10.927 -6.688 1.00 0.00 H new ATOM 0 HG2 MET C 47 59.206 12.466 -8.710 1.00 0.00 H new ATOM 0 HG3 MET C 47 60.544 11.413 -8.294 1.00 0.00 H new ATOM 0 HE1 MET C 47 58.920 7.856 -8.480 1.00 0.00 H new ATOM 0 HE2 MET C 47 60.406 8.792 -8.190 1.00 0.00 H new ATOM 0 HE3 MET C 47 59.021 8.956 -7.084 1.00 0.00 H new ATOM 738 N LEU C 48 57.276 12.655 -4.424 1.00 0.00 N ATOM 739 CA LEU C 48 55.963 12.762 -3.726 1.00 0.00 C ATOM 740 C LEU C 48 55.615 14.235 -3.484 1.00 0.00 C ATOM 741 O LEU C 48 54.469 14.588 -3.288 1.00 0.00 O ATOM 742 CB LEU C 48 56.157 12.028 -2.399 1.00 0.00 C ATOM 743 CG LEU C 48 56.443 10.549 -2.672 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.943 9.881 -1.389 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.160 9.857 -3.138 1.00 0.00 C ATOM 0 H LEU C 48 58.028 12.241 -3.874 1.00 0.00 H new ATOM 0 HA LEU C 48 55.147 12.334 -4.309 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.982 12.472 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU C 48 55.265 12.129 -1.781 1.00 0.00 H new ATOM 0 HG LEU C 48 57.204 10.465 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.147 8.828 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.857 10.372 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.182 9.967 -0.614 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.364 8.804 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.399 9.942 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU C 48 54.802 10.332 -4.052 1.00 0.00 H new ATOM 757 N GLY C 49 56.596 15.097 -3.503 1.00 0.00 N ATOM 758 CA GLY C 49 56.319 16.545 -3.282 1.00 0.00 C ATOM 759 C GLY C 49 56.938 17.002 -1.959 1.00 0.00 C ATOM 760 O GLY C 49 56.533 17.994 -1.386 1.00 0.00 O ATOM 0 H GLY C 49 57.576 14.861 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY C 49 56.727 17.131 -4.105 1.00 0.00 H new ATOM 0 HA3 GLY C 49 55.243 16.720 -3.269 1.00 0.00 H new ATOM 764 N GLN C 50 57.918 16.292 -1.466 1.00 0.00 N ATOM 765 CA GLN C 50 58.553 16.703 -0.178 1.00 0.00 C ATOM 766 C GLN C 50 60.016 16.257 -0.132 1.00 0.00 C ATOM 767 O GLN C 50 60.521 15.647 -1.053 1.00 0.00 O ATOM 768 CB GLN C 50 57.741 15.997 0.908 1.00 0.00 C ATOM 769 CG GLN C 50 57.262 17.028 1.932 1.00 0.00 C ATOM 770 CD GLN C 50 57.359 16.434 3.338 1.00 0.00 C ATOM 771 OE1 GLN C 50 57.204 15.243 3.519 1.00 0.00 O ATOM 772 NE2 GLN C 50 57.613 17.221 4.349 1.00 0.00 N ATOM 0 H GLN C 50 58.305 15.451 -1.895 1.00 0.00 H new ATOM 0 HA GLN C 50 58.553 17.785 -0.050 1.00 0.00 H new ATOM 0 HB2 GLN C 50 56.887 15.484 0.465 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.350 15.237 1.398 1.00 0.00 H new ATOM 0 HG2 GLN C 50 57.868 17.932 1.865 1.00 0.00 H new ATOM 0 HG3 GLN C 50 56.233 17.318 1.718 1.00 0.00 H new ATOM 0 HE21 GLN C 50 57.743 18.221 4.197 1.00 0.00 H new ATOM 0 HE22 GLN C 50 57.681 16.835 5.291 1.00 0.00 H new ATOM 781 N ASN C 51 60.700 16.561 0.939 1.00 0.00 N ATOM 782 CA ASN C 51 62.132 16.161 1.053 1.00 0.00 C ATOM 783 C ASN C 51 62.554 16.137 2.526 1.00 0.00 C ATOM 784 O ASN C 51 62.920 17.152 3.083 1.00 0.00 O ATOM 785 CB ASN C 51 62.902 17.239 0.291 1.00 0.00 C ATOM 786 CG ASN C 51 64.329 16.757 0.028 1.00 0.00 C ATOM 787 OD1 ASN C 51 65.282 17.370 0.469 1.00 0.00 O ATOM 788 ND2 ASN C 51 64.518 15.676 -0.677 1.00 0.00 N ATOM 0 H ASN C 51 60.328 17.070 1.741 1.00 0.00 H new ATOM 0 HA ASN C 51 62.320 15.165 0.652 1.00 0.00 H new ATOM 0 HB2 ASN C 51 62.402 17.460 -0.652 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.920 18.164 0.867 1.00 0.00 H new ATOM 0 HD21 ASN C 51 65.465 15.345 -0.858 1.00 0.00 H new ATOM 0 HD22 ASN C 51 63.718 15.162 -1.047 1.00 0.00 H new ATOM 795 N PRO C 52 62.483 14.969 3.106 1.00 0.00 N ATOM 796 CA PRO C 52 62.858 14.802 4.533 1.00 0.00 C ATOM 797 C PRO C 52 64.378 14.893 4.707 1.00 0.00 C ATOM 798 O PRO C 52 65.126 14.838 3.751 1.00 0.00 O ATOM 799 CB PRO C 52 62.355 13.402 4.872 1.00 0.00 C ATOM 800 CG PRO C 52 62.312 12.677 3.564 1.00 0.00 C ATOM 801 CD PRO C 52 62.052 13.708 2.496 1.00 0.00 C ATOM 0 HA PRO C 52 62.435 15.572 5.179 1.00 0.00 H new ATOM 0 HB2 PRO C 52 63.020 12.904 5.577 1.00 0.00 H new ATOM 0 HB3 PRO C 52 61.369 13.439 5.335 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.253 12.159 3.379 1.00 0.00 H new ATOM 0 HG3 PRO C 52 61.528 11.920 3.568 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.614 13.492 1.588 1.00 0.00 H new ATOM 0 HD3 PRO C 52 60.998 13.739 2.219 1.00 0.00 H new ATOM 809 N THR C 53 64.837 15.029 5.921 1.00 0.00 N ATOM 810 CA THR C 53 66.305 15.123 6.159 1.00 0.00 C ATOM 811 C THR C 53 66.961 13.753 5.963 1.00 0.00 C ATOM 812 O THR C 53 66.284 12.749 5.865 1.00 0.00 O ATOM 813 CB THR C 53 66.441 15.580 7.614 1.00 0.00 C ATOM 814 OG1 THR C 53 65.422 14.974 8.396 1.00 0.00 O ATOM 815 CG2 THR C 53 66.306 17.103 7.687 1.00 0.00 C ATOM 0 H THR C 53 64.258 15.079 6.759 1.00 0.00 H new ATOM 0 HA THR C 53 66.793 15.810 5.468 1.00 0.00 H new ATOM 0 HB THR C 53 67.418 15.285 7.998 1.00 0.00 H new ATOM 0 HG1 THR C 53 65.509 15.264 9.328 1.00 0.00 H new ATOM 0 HG21 THR C 53 66.403 17.428 8.723 1.00 0.00 H new ATOM 0 HG22 THR C 53 67.089 17.567 7.087 1.00 0.00 H new ATOM 0 HG23 THR C 53 65.330 17.401 7.303 1.00 0.00 H new ATOM 823 N PRO C 54 68.265 13.762 5.913 1.00 0.00 N ATOM 824 CA PRO C 54 69.032 12.506 5.725 1.00 0.00 C ATOM 825 C PRO C 54 68.982 11.650 6.996 1.00 0.00 C ATOM 826 O PRO C 54 69.242 10.464 6.965 1.00 0.00 O ATOM 827 CB PRO C 54 70.452 12.992 5.450 1.00 0.00 C ATOM 828 CG PRO C 54 70.526 14.346 6.080 1.00 0.00 C ATOM 829 CD PRO C 54 69.141 14.934 6.024 1.00 0.00 C ATOM 0 HA PRO C 54 68.639 11.880 4.924 1.00 0.00 H new ATOM 0 HB2 PRO C 54 71.191 12.316 5.880 1.00 0.00 H new ATOM 0 HB3 PRO C 54 70.651 13.043 4.380 1.00 0.00 H new ATOM 0 HG2 PRO C 54 70.873 14.273 7.111 1.00 0.00 H new ATOM 0 HG3 PRO C 54 71.236 14.980 5.549 1.00 0.00 H new ATOM 0 HD2 PRO C 54 68.918 15.517 6.918 1.00 0.00 H new ATOM 0 HD3 PRO C 54 69.025 15.602 5.171 1.00 0.00 H new ATOM 837 N GLU C 55 68.646 12.240 8.110 1.00 0.00 N ATOM 838 CA GLU C 55 68.579 11.455 9.375 1.00 0.00 C ATOM 839 C GLU C 55 67.297 10.619 9.405 1.00 0.00 C ATOM 840 O GLU C 55 67.283 9.499 9.875 1.00 0.00 O ATOM 841 CB GLU C 55 68.565 12.499 10.493 1.00 0.00 C ATOM 842 CG GLU C 55 69.625 12.143 11.538 1.00 0.00 C ATOM 843 CD GLU C 55 69.175 10.913 12.327 1.00 0.00 C ATOM 844 OE1 GLU C 55 67.999 10.833 12.644 1.00 0.00 O ATOM 845 OE2 GLU C 55 70.014 10.069 12.600 1.00 0.00 O ATOM 0 H GLU C 55 68.415 13.230 8.199 1.00 0.00 H new ATOM 0 HA GLU C 55 69.415 10.763 9.478 1.00 0.00 H new ATOM 0 HB2 GLU C 55 68.762 13.489 10.083 1.00 0.00 H new ATOM 0 HB3 GLU C 55 67.580 12.537 10.957 1.00 0.00 H new ATOM 0 HG2 GLU C 55 70.579 11.945 11.050 1.00 0.00 H new ATOM 0 HG3 GLU C 55 69.781 12.984 12.214 1.00 0.00 H new ATOM 852 N GLU C 56 66.219 11.157 8.905 1.00 0.00 N ATOM 853 CA GLU C 56 64.938 10.396 8.901 1.00 0.00 C ATOM 854 C GLU C 56 64.880 9.461 7.689 1.00 0.00 C ATOM 855 O GLU C 56 64.065 8.564 7.624 1.00 0.00 O ATOM 856 CB GLU C 56 63.844 11.462 8.810 1.00 0.00 C ATOM 857 CG GLU C 56 62.471 10.796 8.925 1.00 0.00 C ATOM 858 CD GLU C 56 61.953 10.939 10.357 1.00 0.00 C ATOM 859 OE1 GLU C 56 62.634 11.565 11.153 1.00 0.00 O ATOM 860 OE2 GLU C 56 60.884 10.419 10.634 1.00 0.00 O ATOM 0 H GLU C 56 66.170 12.091 8.499 1.00 0.00 H new ATOM 0 HA GLU C 56 64.826 9.772 9.788 1.00 0.00 H new ATOM 0 HB2 GLU C 56 63.971 12.197 9.605 1.00 0.00 H new ATOM 0 HB3 GLU C 56 63.922 11.998 7.864 1.00 0.00 H new ATOM 0 HG2 GLU C 56 61.772 11.256 8.227 1.00 0.00 H new ATOM 0 HG3 GLU C 56 62.543 9.742 8.656 1.00 0.00 H new ATOM 867 N LEU C 57 65.742 9.665 6.729 1.00 0.00 N ATOM 868 CA LEU C 57 65.734 8.785 5.523 1.00 0.00 C ATOM 869 C LEU C 57 66.363 7.429 5.856 1.00 0.00 C ATOM 870 O LEU C 57 65.726 6.399 5.759 1.00 0.00 O ATOM 871 CB LEU C 57 66.577 9.527 4.485 1.00 0.00 C ATOM 872 CG LEU C 57 65.669 10.063 3.376 1.00 0.00 C ATOM 873 CD1 LEU C 57 66.519 10.755 2.310 1.00 0.00 C ATOM 874 CD2 LEU C 57 64.902 8.903 2.738 1.00 0.00 C ATOM 0 H LEU C 57 66.449 10.400 6.727 1.00 0.00 H new ATOM 0 HA LEU C 57 64.725 8.588 5.162 1.00 0.00 H new ATOM 0 HB2 LEU C 57 67.114 10.349 4.958 1.00 0.00 H new ATOM 0 HB3 LEU C 57 67.326 8.857 4.064 1.00 0.00 H new ATOM 0 HG LEU C 57 64.963 10.777 3.800 1.00 0.00 H new ATOM 0 HD11 LEU C 57 65.872 11.137 1.520 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.067 11.582 2.762 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.225 10.040 1.887 1.00 0.00 H new ATOM 0 HD21 LEU C 57 64.255 9.285 1.948 1.00 0.00 H new ATOM 0 HD22 LEU C 57 65.608 8.189 2.315 1.00 0.00 H new ATOM 0 HD23 LEU C 57 64.295 8.408 3.496 1.00 0.00 H new ATOM 886 N GLN C 58 67.609 7.421 6.247 1.00 0.00 N ATOM 887 CA GLN C 58 68.276 6.131 6.586 1.00 0.00 C ATOM 888 C GLN C 58 67.353 5.276 7.457 1.00 0.00 C ATOM 889 O GLN C 58 67.351 4.063 7.377 1.00 0.00 O ATOM 890 CB GLN C 58 69.533 6.526 7.363 1.00 0.00 C ATOM 891 CG GLN C 58 70.722 5.699 6.868 1.00 0.00 C ATOM 892 CD GLN C 58 71.013 4.576 7.865 1.00 0.00 C ATOM 893 OE1 GLN C 58 70.799 4.728 9.051 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.497 3.444 7.430 1.00 0.00 N ATOM 0 H GLN C 58 68.193 8.251 6.346 1.00 0.00 H new ATOM 0 HA GLN C 58 68.514 5.542 5.700 1.00 0.00 H new ATOM 0 HB2 GLN C 58 69.736 7.589 7.231 1.00 0.00 H new ATOM 0 HB3 GLN C 58 69.381 6.361 8.430 1.00 0.00 H new ATOM 0 HG2 GLN C 58 70.503 5.280 5.886 1.00 0.00 H new ATOM 0 HG3 GLN C 58 71.599 6.336 6.755 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.677 3.315 6.434 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.695 2.688 8.086 1.00 0.00 H new ATOM 903 N GLU C 59 66.567 5.901 8.291 1.00 0.00 N ATOM 904 CA GLU C 59 65.642 5.129 9.169 1.00 0.00 C ATOM 905 C GLU C 59 64.760 4.202 8.328 1.00 0.00 C ATOM 906 O GLU C 59 64.305 3.175 8.792 1.00 0.00 O ATOM 907 CB GLU C 59 64.795 6.191 9.875 1.00 0.00 C ATOM 908 CG GLU C 59 63.544 5.542 10.472 1.00 0.00 C ATOM 909 CD GLU C 59 62.639 6.626 11.060 1.00 0.00 C ATOM 910 OE1 GLU C 59 62.213 7.487 10.307 1.00 0.00 O ATOM 911 OE2 GLU C 59 62.389 6.579 12.253 1.00 0.00 O ATOM 0 H GLU C 59 66.525 6.914 8.402 1.00 0.00 H new ATOM 0 HA GLU C 59 66.175 4.495 9.878 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.378 6.671 10.661 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.510 6.971 9.169 1.00 0.00 H new ATOM 0 HG2 GLU C 59 63.009 4.984 9.704 1.00 0.00 H new ATOM 0 HG3 GLU C 59 63.826 4.829 11.247 1.00 0.00 H new ATOM 918 N MET C 60 64.520 4.549 7.092 1.00 0.00 N ATOM 919 CA MET C 60 63.676 3.686 6.225 1.00 0.00 C ATOM 920 C MET C 60 64.515 2.517 5.697 1.00 0.00 C ATOM 921 O MET C 60 63.995 1.492 5.301 1.00 0.00 O ATOM 922 CB MET C 60 63.219 4.617 5.093 1.00 0.00 C ATOM 923 CG MET C 60 63.029 3.827 3.798 1.00 0.00 C ATOM 924 SD MET C 60 61.768 4.630 2.776 1.00 0.00 S ATOM 925 CE MET C 60 62.250 6.342 3.112 1.00 0.00 C ATOM 0 H MET C 60 64.874 5.396 6.647 1.00 0.00 H new ATOM 0 HA MET C 60 62.825 3.244 6.744 1.00 0.00 H new ATOM 0 HB2 MET C 60 62.284 5.105 5.370 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.957 5.405 4.941 1.00 0.00 H new ATOM 0 HG2 MET C 60 63.971 3.770 3.253 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.730 2.804 4.025 1.00 0.00 H new ATOM 0 HE1 MET C 60 61.781 7.002 2.382 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.926 6.621 4.115 1.00 0.00 H new ATOM 0 HE3 MET C 60 63.334 6.435 3.041 1.00 0.00 H new ATOM 935 N ILE C 61 65.812 2.666 5.691 1.00 0.00 N ATOM 936 CA ILE C 61 66.690 1.569 5.194 1.00 0.00 C ATOM 937 C ILE C 61 67.139 0.684 6.361 1.00 0.00 C ATOM 938 O ILE C 61 67.038 -0.526 6.311 1.00 0.00 O ATOM 939 CB ILE C 61 67.891 2.278 4.568 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.459 2.950 3.262 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.994 1.258 4.277 1.00 0.00 C ATOM 942 CD1 ILE C 61 66.936 4.357 3.561 1.00 0.00 C ATOM 0 H ILE C 61 66.302 3.502 6.010 1.00 0.00 H new ATOM 0 HA ILE C 61 66.180 0.922 4.480 1.00 0.00 H new ATOM 0 HB ILE C 61 68.269 3.032 5.259 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.301 3.002 2.572 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.684 2.358 2.775 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.850 1.765 3.831 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.301 0.778 5.207 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.618 0.503 3.586 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.628 4.836 2.631 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.082 4.292 4.236 1.00 0.00 H new ATOM 0 HD13 ILE C 61 67.724 4.946 4.029 1.00 0.00 H new ATOM 954 N ASP C 62 67.632 1.280 7.413 1.00 0.00 N ATOM 955 CA ASP C 62 68.087 0.474 8.583 1.00 0.00 C ATOM 956 C ASP C 62 66.903 -0.273 9.202 1.00 0.00 C ATOM 957 O ASP C 62 67.058 -1.334 9.774 1.00 0.00 O ATOM 958 CB ASP C 62 68.653 1.493 9.572 1.00 0.00 C ATOM 959 CG ASP C 62 70.117 1.162 9.864 1.00 0.00 C ATOM 960 OD1 ASP C 62 70.355 0.228 10.611 1.00 0.00 O ATOM 961 OD2 ASP C 62 70.977 1.848 9.334 1.00 0.00 O ATOM 0 H ASP C 62 67.739 2.289 7.513 1.00 0.00 H new ATOM 0 HA ASP C 62 68.827 -0.277 8.304 1.00 0.00 H new ATOM 0 HB2 ASP C 62 68.572 2.499 9.160 1.00 0.00 H new ATOM 0 HB3 ASP C 62 68.075 1.479 10.496 1.00 0.00 H new ATOM 966 N GLU C 63 65.722 0.271 9.092 1.00 0.00 N ATOM 967 CA GLU C 63 64.531 -0.411 9.674 1.00 0.00 C ATOM 968 C GLU C 63 64.477 -1.867 9.207 1.00 0.00 C ATOM 969 O GLU C 63 63.990 -2.737 9.902 1.00 0.00 O ATOM 970 CB GLU C 63 63.329 0.369 9.139 1.00 0.00 C ATOM 971 CG GLU C 63 62.910 1.426 10.163 1.00 0.00 C ATOM 972 CD GLU C 63 61.868 0.833 11.112 1.00 0.00 C ATOM 973 OE1 GLU C 63 62.136 -0.216 11.675 1.00 0.00 O ATOM 974 OE2 GLU C 63 60.819 1.437 11.261 1.00 0.00 O ATOM 0 H GLU C 63 65.530 1.157 8.625 1.00 0.00 H new ATOM 0 HA GLU C 63 64.554 -0.427 10.764 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.583 0.845 8.192 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.500 -0.310 8.942 1.00 0.00 H new ATOM 0 HG2 GLU C 63 63.779 1.766 10.727 1.00 0.00 H new ATOM 0 HG3 GLU C 63 62.499 2.298 9.654 1.00 0.00 H new ATOM 981 N VAL C 64 64.975 -2.141 8.030 1.00 0.00 N ATOM 982 CA VAL C 64 64.953 -3.540 7.518 1.00 0.00 C ATOM 983 C VAL C 64 66.355 -3.962 7.070 1.00 0.00 C ATOM 984 O VAL C 64 66.514 -4.751 6.159 1.00 0.00 O ATOM 985 CB VAL C 64 63.997 -3.512 6.326 1.00 0.00 C ATOM 986 CG1 VAL C 64 62.638 -2.975 6.774 1.00 0.00 C ATOM 987 CG2 VAL C 64 64.570 -2.603 5.236 1.00 0.00 C ATOM 0 H VAL C 64 65.396 -1.456 7.402 1.00 0.00 H new ATOM 0 HA VAL C 64 64.635 -4.252 8.279 1.00 0.00 H new ATOM 0 HB VAL C 64 63.876 -4.521 5.933 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.956 -2.955 5.924 1.00 0.00 H new ATOM 0 HG12 VAL C 64 62.230 -3.621 7.551 1.00 0.00 H new ATOM 0 HG13 VAL C 64 62.757 -1.965 7.167 1.00 0.00 H new ATOM 0 HG21 VAL C 64 63.889 -2.582 4.385 1.00 0.00 H new ATOM 0 HG22 VAL C 64 64.690 -1.594 5.630 1.00 0.00 H new ATOM 0 HG23 VAL C 64 65.539 -2.985 4.916 1.00 0.00 H new ATOM 997 N ASP C 65 67.372 -3.445 7.702 1.00 0.00 N ATOM 998 CA ASP C 65 68.761 -3.820 7.310 1.00 0.00 C ATOM 999 C ASP C 65 69.379 -4.733 8.372 1.00 0.00 C ATOM 1000 O ASP C 65 70.057 -4.283 9.274 1.00 0.00 O ATOM 1001 CB ASP C 65 69.522 -2.496 7.231 1.00 0.00 C ATOM 1002 CG ASP C 65 70.825 -2.701 6.457 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.801 -2.560 5.245 1.00 0.00 O ATOM 1004 OD2 ASP C 65 71.826 -2.994 7.089 1.00 0.00 O ATOM 0 H ASP C 65 67.302 -2.780 8.472 1.00 0.00 H new ATOM 0 HA ASP C 65 68.792 -4.364 6.366 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.909 -1.741 6.738 1.00 0.00 H new ATOM 0 HB3 ASP C 65 69.737 -2.127 8.234 1.00 0.00 H new ATOM 1009 N GLU C 66 69.147 -6.015 8.274 1.00 0.00 N ATOM 1010 CA GLU C 66 69.720 -6.956 9.278 1.00 0.00 C ATOM 1011 C GLU C 66 71.115 -7.412 8.842 1.00 0.00 C ATOM 1012 O GLU C 66 71.553 -8.499 9.163 1.00 0.00 O ATOM 1013 CB GLU C 66 68.752 -8.139 9.304 1.00 0.00 C ATOM 1014 CG GLU C 66 68.100 -8.235 10.686 1.00 0.00 C ATOM 1015 CD GLU C 66 68.267 -9.654 11.232 1.00 0.00 C ATOM 1016 OE1 GLU C 66 68.341 -10.571 10.432 1.00 0.00 O ATOM 1017 OE2 GLU C 66 68.318 -9.799 12.443 1.00 0.00 O ATOM 0 H GLU C 66 68.586 -6.450 7.542 1.00 0.00 H new ATOM 0 HA GLU C 66 69.831 -6.497 10.260 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.987 -8.014 8.537 1.00 0.00 H new ATOM 0 HB3 GLU C 66 69.284 -9.063 9.076 1.00 0.00 H new ATOM 0 HG2 GLU C 66 68.557 -7.516 11.366 1.00 0.00 H new ATOM 0 HG3 GLU C 66 67.042 -7.982 10.619 1.00 0.00 H new ATOM 1024 N ASP C 67 71.818 -6.589 8.114 1.00 0.00 N ATOM 1025 CA ASP C 67 73.184 -6.978 7.658 1.00 0.00 C ATOM 1026 C ASP C 67 74.171 -5.822 7.856 1.00 0.00 C ATOM 1027 O ASP C 67 75.345 -6.030 8.088 1.00 0.00 O ATOM 1028 CB ASP C 67 73.028 -7.300 6.171 1.00 0.00 C ATOM 1029 CG ASP C 67 72.186 -6.216 5.496 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.994 -5.177 6.106 1.00 0.00 O ATOM 1031 OD2 ASP C 67 71.745 -6.444 4.382 1.00 0.00 O ATOM 0 H ASP C 67 71.507 -5.665 7.815 1.00 0.00 H new ATOM 0 HA ASP C 67 73.577 -7.823 8.223 1.00 0.00 H new ATOM 0 HB2 ASP C 67 74.008 -7.361 5.697 1.00 0.00 H new ATOM 0 HB3 ASP C 67 72.553 -8.273 6.047 1.00 0.00 H new ATOM 1036 N GLY C 68 73.707 -4.605 7.764 1.00 0.00 N ATOM 1037 CA GLY C 68 74.623 -3.444 7.946 1.00 0.00 C ATOM 1038 C GLY C 68 75.105 -2.958 6.578 1.00 0.00 C ATOM 1039 O GLY C 68 76.050 -2.201 6.473 1.00 0.00 O ATOM 0 H GLY C 68 72.735 -4.365 7.571 1.00 0.00 H new ATOM 0 HA2 GLY C 68 74.108 -2.639 8.469 1.00 0.00 H new ATOM 0 HA3 GLY C 68 75.474 -3.732 8.563 1.00 0.00 H new ATOM 1043 N SER C 69 74.462 -3.390 5.528 1.00 0.00 N ATOM 1044 CA SER C 69 74.880 -2.958 4.164 1.00 0.00 C ATOM 1045 C SER C 69 74.530 -1.484 3.944 1.00 0.00 C ATOM 1046 O SER C 69 74.961 -0.870 2.989 1.00 0.00 O ATOM 1047 CB SER C 69 74.085 -3.847 3.208 1.00 0.00 C ATOM 1048 OG SER C 69 72.779 -4.050 3.731 1.00 0.00 O ATOM 0 H SER C 69 73.664 -4.025 5.556 1.00 0.00 H new ATOM 0 HA SER C 69 75.955 -3.053 4.012 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.027 -3.382 2.224 1.00 0.00 H new ATOM 0 HB3 SER C 69 74.590 -4.804 3.078 1.00 0.00 H new ATOM 0 HG SER C 69 72.493 -4.969 3.549 1.00 0.00 H new ATOM 1054 N GLY C 70 73.748 -0.912 4.819 1.00 0.00 N ATOM 1055 CA GLY C 70 73.371 0.520 4.656 1.00 0.00 C ATOM 1056 C GLY C 70 72.479 0.673 3.423 1.00 0.00 C ATOM 1057 O GLY C 70 72.418 1.721 2.813 1.00 0.00 O ATOM 0 H GLY C 70 73.355 -1.374 5.639 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.847 0.873 5.544 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.266 1.133 4.550 1.00 0.00 H new ATOM 1061 N THR C 71 71.788 -0.370 3.050 1.00 0.00 N ATOM 1062 CA THR C 71 70.899 -0.291 1.856 1.00 0.00 C ATOM 1063 C THR C 71 69.685 -1.204 2.042 1.00 0.00 C ATOM 1064 O THR C 71 69.541 -1.861 3.053 1.00 0.00 O ATOM 1065 CB THR C 71 71.761 -0.773 0.687 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.584 -1.847 1.119 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.638 0.377 0.190 1.00 0.00 C ATOM 0 H THR C 71 71.801 -1.274 3.521 1.00 0.00 H new ATOM 0 HA THR C 71 70.516 0.716 1.690 1.00 0.00 H new ATOM 0 HB THR C 71 71.117 -1.112 -0.124 1.00 0.00 H new ATOM 0 HG1 THR C 71 73.136 -2.158 0.371 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.252 0.033 -0.643 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.005 1.200 -0.142 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.283 0.719 0.999 1.00 0.00 H new ATOM 1075 N VAL C 72 68.808 -1.248 1.075 1.00 0.00 N ATOM 1076 CA VAL C 72 67.604 -2.116 1.203 1.00 0.00 C ATOM 1077 C VAL C 72 67.514 -3.090 0.023 1.00 0.00 C ATOM 1078 O VAL C 72 67.963 -2.801 -1.069 1.00 0.00 O ATOM 1079 CB VAL C 72 66.421 -1.150 1.190 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.127 -1.929 0.949 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.339 -0.431 2.538 1.00 0.00 C ATOM 0 H VAL C 72 68.874 -0.721 0.204 1.00 0.00 H new ATOM 0 HA VAL C 72 67.630 -2.723 2.108 1.00 0.00 H new ATOM 0 HB VAL C 72 66.557 -0.419 0.393 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.283 -1.239 0.940 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.185 -2.444 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL C 72 64.989 -2.660 1.745 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.495 0.259 2.531 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.202 -1.164 3.333 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.261 0.124 2.711 1.00 0.00 H new ATOM 1091 N ASP C 73 66.933 -4.238 0.238 1.00 0.00 N ATOM 1092 CA ASP C 73 66.808 -5.232 -0.867 1.00 0.00 C ATOM 1093 C ASP C 73 65.344 -5.657 -1.024 1.00 0.00 C ATOM 1094 O ASP C 73 64.530 -5.444 -0.147 1.00 0.00 O ATOM 1095 CB ASP C 73 67.666 -6.420 -0.432 1.00 0.00 C ATOM 1096 CG ASP C 73 69.054 -5.925 -0.021 1.00 0.00 C ATOM 1097 OD1 ASP C 73 69.469 -4.897 -0.529 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.678 -6.584 0.795 1.00 0.00 O ATOM 0 H ASP C 73 66.539 -4.532 1.132 1.00 0.00 H new ATOM 0 HA ASP C 73 67.131 -4.828 -1.827 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.192 -6.939 0.401 1.00 0.00 H new ATOM 0 HB3 ASP C 73 67.751 -7.138 -1.247 1.00 0.00 H new ATOM 1103 N PHE C 74 65.003 -6.257 -2.131 1.00 0.00 N ATOM 1104 CA PHE C 74 63.592 -6.694 -2.338 1.00 0.00 C ATOM 1105 C PHE C 74 63.137 -7.579 -1.173 1.00 0.00 C ATOM 1106 O PHE C 74 61.958 -7.782 -0.958 1.00 0.00 O ATOM 1107 CB PHE C 74 63.609 -7.492 -3.642 1.00 0.00 C ATOM 1108 CG PHE C 74 62.199 -7.893 -4.005 1.00 0.00 C ATOM 1109 CD1 PHE C 74 61.193 -6.922 -4.083 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.897 -9.236 -4.265 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.886 -7.294 -4.420 1.00 0.00 C ATOM 1112 CE2 PHE C 74 60.590 -9.607 -4.602 1.00 0.00 C ATOM 1113 CZ PHE C 74 59.585 -8.635 -4.680 1.00 0.00 C ATOM 0 H PHE C 74 65.639 -6.464 -2.901 1.00 0.00 H new ATOM 0 HA PHE C 74 62.902 -5.851 -2.386 1.00 0.00 H new ATOM 0 HB2 PHE C 74 64.046 -6.893 -4.442 1.00 0.00 H new ATOM 0 HB3 PHE C 74 64.233 -8.378 -3.530 1.00 0.00 H new ATOM 0 HD1 PHE C 74 61.425 -5.886 -3.883 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.673 -9.985 -4.205 1.00 0.00 H new ATOM 0 HE1 PHE C 74 59.110 -6.545 -4.479 1.00 0.00 H new ATOM 0 HE2 PHE C 74 60.357 -10.642 -4.802 1.00 0.00 H new ATOM 0 HZ PHE C 74 58.577 -8.921 -4.941 1.00 0.00 H new ATOM 1123 N ASP C 75 64.063 -8.108 -0.421 1.00 0.00 N ATOM 1124 CA ASP C 75 63.684 -8.980 0.728 1.00 0.00 C ATOM 1125 C ASP C 75 63.392 -8.128 1.966 1.00 0.00 C ATOM 1126 O ASP C 75 62.501 -8.423 2.738 1.00 0.00 O ATOM 1127 CB ASP C 75 64.902 -9.872 0.965 1.00 0.00 C ATOM 1128 CG ASP C 75 65.110 -10.786 -0.244 1.00 0.00 C ATOM 1129 OD1 ASP C 75 64.188 -10.905 -1.036 1.00 0.00 O ATOM 1130 OD2 ASP C 75 66.185 -11.350 -0.358 1.00 0.00 O ATOM 0 H ASP C 75 65.066 -7.974 -0.552 1.00 0.00 H new ATOM 0 HA ASP C 75 62.785 -9.562 0.526 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.789 -9.259 1.127 1.00 0.00 H new ATOM 0 HB3 ASP C 75 64.758 -10.470 1.865 1.00 0.00 H new ATOM 1135 N GLU C 76 64.135 -7.074 2.160 1.00 0.00 N ATOM 1136 CA GLU C 76 63.899 -6.203 3.348 1.00 0.00 C ATOM 1137 C GLU C 76 62.768 -5.212 3.060 1.00 0.00 C ATOM 1138 O GLU C 76 61.966 -4.904 3.918 1.00 0.00 O ATOM 1139 CB GLU C 76 65.219 -5.464 3.564 1.00 0.00 C ATOM 1140 CG GLU C 76 66.349 -6.480 3.740 1.00 0.00 C ATOM 1141 CD GLU C 76 67.699 -5.760 3.695 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.997 -5.166 2.671 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.411 -5.815 4.684 1.00 0.00 O ATOM 0 H GLU C 76 64.895 -6.777 1.548 1.00 0.00 H new ATOM 0 HA GLU C 76 63.603 -6.774 4.228 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.428 -4.815 2.714 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.150 -4.824 4.444 1.00 0.00 H new ATOM 0 HG2 GLU C 76 66.236 -7.004 4.689 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.301 -7.233 2.953 1.00 0.00 H new ATOM 1150 N PHE C 77 62.699 -4.711 1.857 1.00 0.00 N ATOM 1151 CA PHE C 77 61.620 -3.738 1.513 1.00 0.00 C ATOM 1152 C PHE C 77 60.258 -4.269 1.969 1.00 0.00 C ATOM 1153 O PHE C 77 59.464 -3.551 2.545 1.00 0.00 O ATOM 1154 CB PHE C 77 61.667 -3.618 -0.010 1.00 0.00 C ATOM 1155 CG PHE C 77 60.651 -2.600 -0.465 1.00 0.00 C ATOM 1156 CD1 PHE C 77 59.309 -2.968 -0.615 1.00 0.00 C ATOM 1157 CD2 PHE C 77 61.051 -1.285 -0.736 1.00 0.00 C ATOM 1158 CE1 PHE C 77 58.367 -2.022 -1.038 1.00 0.00 C ATOM 1159 CE2 PHE C 77 60.109 -0.340 -1.157 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.765 -0.708 -1.308 1.00 0.00 C ATOM 0 H PHE C 77 63.342 -4.932 1.097 1.00 0.00 H new ATOM 0 HA PHE C 77 61.762 -2.775 2.003 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.665 -3.320 -0.332 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.459 -4.585 -0.468 1.00 0.00 H new ATOM 0 HD1 PHE C 77 59.000 -3.981 -0.405 1.00 0.00 H new ATOM 0 HD2 PHE C 77 62.086 -1.001 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE C 77 57.332 -2.307 -1.156 1.00 0.00 H new ATOM 0 HE2 PHE C 77 60.418 0.674 -1.366 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.038 0.022 -1.632 1.00 0.00 H new ATOM 1170 N LEU C 78 59.979 -5.519 1.717 1.00 0.00 N ATOM 1171 CA LEU C 78 58.666 -6.089 2.137 1.00 0.00 C ATOM 1172 C LEU C 78 58.370 -5.718 3.593 1.00 0.00 C ATOM 1173 O LEU C 78 57.331 -5.170 3.905 1.00 0.00 O ATOM 1174 CB LEU C 78 58.826 -7.604 1.994 1.00 0.00 C ATOM 1175 CG LEU C 78 58.298 -8.049 0.630 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.738 -9.489 0.358 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.769 -7.975 0.627 1.00 0.00 C ATOM 0 H LEU C 78 60.602 -6.170 1.239 1.00 0.00 H new ATOM 0 HA LEU C 78 57.840 -5.707 1.536 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.875 -7.880 2.097 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.283 -8.114 2.790 1.00 0.00 H new ATOM 0 HG LEU C 78 58.696 -7.394 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.362 -9.807 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU C 78 59.827 -9.544 0.361 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.339 -10.144 1.133 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.391 -8.292 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.371 -8.630 1.402 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.454 -6.950 0.822 1.00 0.00 H new ATOM 1189 N VAL C 79 59.276 -6.012 4.484 1.00 0.00 N ATOM 1190 CA VAL C 79 59.047 -5.676 5.919 1.00 0.00 C ATOM 1191 C VAL C 79 58.970 -4.158 6.101 1.00 0.00 C ATOM 1192 O VAL C 79 58.323 -3.663 7.001 1.00 0.00 O ATOM 1193 CB VAL C 79 60.261 -6.242 6.656 1.00 0.00 C ATOM 1194 CG1 VAL C 79 60.137 -5.941 8.150 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.325 -7.755 6.445 1.00 0.00 C ATOM 0 H VAL C 79 60.165 -6.470 4.282 1.00 0.00 H new ATOM 0 HA VAL C 79 58.111 -6.089 6.296 1.00 0.00 H new ATOM 0 HB VAL C 79 61.169 -5.782 6.267 1.00 0.00 H new ATOM 0 HG11 VAL C 79 61.002 -6.345 8.676 1.00 0.00 H new ATOM 0 HG12 VAL C 79 60.091 -4.863 8.301 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.229 -6.401 8.540 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.190 -8.159 6.970 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.417 -8.215 6.834 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.414 -7.970 5.380 1.00 0.00 H new ATOM 1205 N MET C 80 59.628 -3.415 5.252 1.00 0.00 N ATOM 1206 CA MET C 80 59.592 -1.929 5.378 1.00 0.00 C ATOM 1207 C MET C 80 58.145 -1.429 5.361 1.00 0.00 C ATOM 1208 O MET C 80 57.793 -0.498 6.055 1.00 0.00 O ATOM 1209 CB MET C 80 60.354 -1.413 4.158 1.00 0.00 C ATOM 1210 CG MET C 80 61.258 -0.251 4.575 1.00 0.00 C ATOM 1211 SD MET C 80 60.465 1.316 4.138 1.00 0.00 S ATOM 1212 CE MET C 80 60.809 1.254 2.363 1.00 0.00 C ATOM 0 H MET C 80 60.188 -3.772 4.478 1.00 0.00 H new ATOM 0 HA MET C 80 60.033 -1.582 6.312 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.951 -2.214 3.723 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.653 -1.085 3.390 1.00 0.00 H new ATOM 0 HG2 MET C 80 61.446 -0.289 5.648 1.00 0.00 H new ATOM 0 HG3 MET C 80 62.225 -0.332 4.079 1.00 0.00 H new ATOM 0 HE1 MET C 80 60.447 2.167 1.890 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.884 1.164 2.204 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.304 0.394 1.924 1.00 0.00 H new ATOM 1222 N MET C 81 57.304 -2.041 4.572 1.00 0.00 N ATOM 1223 CA MET C 81 55.881 -1.600 4.515 1.00 0.00 C ATOM 1224 C MET C 81 55.101 -2.188 5.693 1.00 0.00 C ATOM 1225 O MET C 81 54.374 -1.495 6.378 1.00 0.00 O ATOM 1226 CB MET C 81 55.347 -2.148 3.191 1.00 0.00 C ATOM 1227 CG MET C 81 55.460 -1.073 2.109 1.00 0.00 C ATOM 1228 SD MET C 81 54.190 0.188 2.376 1.00 0.00 S ATOM 1229 CE MET C 81 54.966 1.506 1.408 1.00 0.00 C ATOM 0 H MET C 81 57.540 -2.826 3.965 1.00 0.00 H new ATOM 0 HA MET C 81 55.781 -0.516 4.575 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.911 -3.034 2.898 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.308 -2.455 3.306 1.00 0.00 H new ATOM 0 HG2 MET C 81 56.450 -0.618 2.135 1.00 0.00 H new ATOM 0 HG3 MET C 81 55.341 -1.521 1.122 1.00 0.00 H new ATOM 0 HE1 MET C 81 54.338 2.397 1.437 1.00 0.00 H new ATOM 0 HE2 MET C 81 55.945 1.738 1.828 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.083 1.178 0.375 1.00 0.00 H new ATOM 1239 N VAL C 82 55.249 -3.463 5.934 1.00 0.00 N ATOM 1240 CA VAL C 82 54.518 -4.097 7.067 1.00 0.00 C ATOM 1241 C VAL C 82 54.585 -3.204 8.309 1.00 0.00 C ATOM 1242 O VAL C 82 53.584 -2.928 8.942 1.00 0.00 O ATOM 1243 CB VAL C 82 55.249 -5.416 7.318 1.00 0.00 C ATOM 1244 CG1 VAL C 82 54.487 -6.231 8.364 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.329 -6.210 6.011 1.00 0.00 C ATOM 0 H VAL C 82 55.844 -4.092 5.395 1.00 0.00 H new ATOM 0 HA VAL C 82 53.462 -4.249 6.843 1.00 0.00 H new ATOM 0 HB VAL C 82 56.256 -5.211 7.682 1.00 0.00 H new ATOM 0 HG11 VAL C 82 55.008 -7.171 8.543 1.00 0.00 H new ATOM 0 HG12 VAL C 82 54.429 -5.666 9.294 1.00 0.00 H new ATOM 0 HG13 VAL C 82 53.480 -6.438 8.001 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.850 -7.151 6.188 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.322 -6.416 5.648 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.872 -5.629 5.265 1.00 0.00 H new ATOM 1255 N ARG C 83 55.756 -2.750 8.664 1.00 0.00 N ATOM 1256 CA ARG C 83 55.886 -1.877 9.866 1.00 0.00 C ATOM 1257 C ARG C 83 55.041 -0.611 9.700 1.00 0.00 C ATOM 1258 O ARG C 83 54.272 -0.248 10.568 1.00 0.00 O ATOM 1259 CB ARG C 83 57.372 -1.524 9.939 1.00 0.00 C ATOM 1260 CG ARG C 83 58.134 -2.655 10.631 1.00 0.00 C ATOM 1261 CD ARG C 83 59.639 -2.431 10.470 1.00 0.00 C ATOM 1262 NE ARG C 83 60.273 -3.632 11.082 1.00 0.00 N ATOM 1263 CZ ARG C 83 60.922 -3.525 12.208 1.00 0.00 C ATOM 1264 NH1 ARG C 83 61.882 -2.650 12.327 1.00 0.00 N ATOM 1265 NH2 ARG C 83 60.611 -4.294 13.215 1.00 0.00 N ATOM 0 H ARG C 83 56.629 -2.946 8.174 1.00 0.00 H new ATOM 0 HA ARG C 83 55.538 -2.371 10.773 1.00 0.00 H new ATOM 0 HB2 ARG C 83 57.768 -1.365 8.936 1.00 0.00 H new ATOM 0 HB3 ARG C 83 57.508 -0.592 10.487 1.00 0.00 H new ATOM 0 HG2 ARG C 83 57.872 -2.690 11.688 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.851 -3.615 10.200 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.913 -2.331 9.420 1.00 0.00 H new ATOM 0 HD3 ARG C 83 59.958 -1.517 10.971 1.00 0.00 H new ATOM 0 HE ARG C 83 60.199 -4.538 10.620 1.00 0.00 H new ATOM 0 HH11 ARG C 83 62.125 -2.049 11.539 1.00 0.00 H new ATOM 0 HH12 ARG C 83 62.390 -2.566 13.208 1.00 0.00 H new ATOM 0 HH21 ARG C 83 59.861 -4.978 13.121 1.00 0.00 H new ATOM 0 HH22 ARG C 83 61.118 -4.211 14.096 1.00 0.00 H new ATOM 1279 N CYS C 84 55.179 0.066 8.592 1.00 0.00 N ATOM 1280 CA CYS C 84 54.385 1.310 8.375 1.00 0.00 C ATOM 1281 C CYS C 84 53.052 0.981 7.698 1.00 0.00 C ATOM 1282 O CYS C 84 52.368 1.851 7.197 1.00 0.00 O ATOM 1283 CB CYS C 84 55.252 2.177 7.462 1.00 0.00 C ATOM 1284 SG CYS C 84 54.770 3.912 7.643 1.00 0.00 S ATOM 0 H CYS C 84 55.806 -0.188 7.829 1.00 0.00 H new ATOM 0 HA CYS C 84 54.146 1.814 9.311 1.00 0.00 H new ATOM 0 HB2 CYS C 84 56.305 2.052 7.716 1.00 0.00 H new ATOM 0 HB3 CYS C 84 55.135 1.862 6.425 1.00 0.00 H new ATOM 0 HG CYS C 84 55.508 4.650 6.868 1.00 0.00 H new ATOM 1290 N MET C 85 52.678 -0.269 7.680 1.00 0.00 N ATOM 1291 CA MET C 85 51.391 -0.654 7.038 1.00 0.00 C ATOM 1292 C MET C 85 50.311 -0.841 8.111 1.00 0.00 C ATOM 1293 O MET C 85 49.131 -0.723 7.845 1.00 0.00 O ATOM 1294 CB MET C 85 51.698 -1.976 6.325 1.00 0.00 C ATOM 1295 CG MET C 85 50.415 -2.790 6.157 1.00 0.00 C ATOM 1296 SD MET C 85 50.699 -4.134 4.979 1.00 0.00 S ATOM 1297 CE MET C 85 50.537 -3.151 3.468 1.00 0.00 C ATOM 0 H MET C 85 53.209 -1.041 8.083 1.00 0.00 H new ATOM 0 HA MET C 85 51.016 0.100 6.346 1.00 0.00 H new ATOM 0 HB2 MET C 85 52.143 -1.778 5.350 1.00 0.00 H new ATOM 0 HB3 MET C 85 52.428 -2.547 6.899 1.00 0.00 H new ATOM 0 HG2 MET C 85 50.101 -3.196 7.119 1.00 0.00 H new ATOM 0 HG3 MET C 85 49.608 -2.148 5.804 1.00 0.00 H new ATOM 0 HE1 MET C 85 49.644 -3.462 2.926 1.00 0.00 H new ATOM 0 HE2 MET C 85 50.455 -2.096 3.728 1.00 0.00 H new ATOM 0 HE3 MET C 85 51.415 -3.303 2.840 1.00 0.00 H new ATOM 1411 N SER I 3 53.831 8.003 4.028 1.00 0.00 N ATOM 1412 CA SER I 3 52.626 7.396 4.662 1.00 0.00 C ATOM 1413 C SER I 3 52.020 6.334 3.739 1.00 0.00 C ATOM 1414 O SER I 3 50.924 5.861 3.960 1.00 0.00 O ATOM 1415 CB SER I 3 51.653 8.558 4.853 1.00 0.00 C ATOM 1416 OG SER I 3 50.407 8.054 5.318 1.00 0.00 O ATOM 0 HA SER I 3 52.860 6.901 5.604 1.00 0.00 H new ATOM 0 HB2 SER I 3 52.059 9.274 5.568 1.00 0.00 H new ATOM 0 HB3 SER I 3 51.515 9.091 3.912 1.00 0.00 H new ATOM 0 HG SER I 3 50.336 7.102 5.096 1.00 0.00 H new ATOM 1422 N ALA I 4 52.726 5.957 2.708 1.00 0.00 N ATOM 1423 CA ALA I 4 52.192 4.925 1.767 1.00 0.00 C ATOM 1424 C ALA I 4 51.020 5.490 0.958 1.00 0.00 C ATOM 1425 O ALA I 4 51.023 5.465 -0.256 1.00 0.00 O ATOM 1426 CB ALA I 4 51.721 3.773 2.658 1.00 0.00 C ATOM 0 H ALA I 4 53.651 6.318 2.474 1.00 0.00 H new ATOM 0 HA ALA I 4 52.945 4.603 1.048 1.00 0.00 H new ATOM 0 HB1 ALA I 4 51.315 2.975 2.037 1.00 0.00 H new ATOM 0 HB2 ALA I 4 52.564 3.391 3.234 1.00 0.00 H new ATOM 0 HB3 ALA I 4 50.949 4.132 3.338 1.00 0.00 H new ATOM 1432 N ASP I 5 50.014 5.995 1.621 1.00 0.00 N ATOM 1433 CA ASP I 5 48.840 6.554 0.889 1.00 0.00 C ATOM 1434 C ASP I 5 49.299 7.560 -0.174 1.00 0.00 C ATOM 1435 O ASP I 5 48.900 7.489 -1.319 1.00 0.00 O ATOM 1436 CB ASP I 5 48.001 7.252 1.959 1.00 0.00 C ATOM 1437 CG ASP I 5 46.788 6.386 2.301 1.00 0.00 C ATOM 1438 OD1 ASP I 5 46.389 5.601 1.457 1.00 0.00 O ATOM 1439 OD2 ASP I 5 46.277 6.524 3.401 1.00 0.00 O ATOM 0 H ASP I 5 49.954 6.045 2.638 1.00 0.00 H new ATOM 0 HA ASP I 5 48.277 5.780 0.367 1.00 0.00 H new ATOM 0 HB2 ASP I 5 48.602 7.424 2.852 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.675 8.228 1.601 1.00 0.00 H new ATOM 1444 N ALA I 6 50.127 8.498 0.197 1.00 0.00 N ATOM 1445 CA ALA I 6 50.600 9.509 -0.795 1.00 0.00 C ATOM 1446 C ALA I 6 51.639 8.892 -1.736 1.00 0.00 C ATOM 1447 O ALA I 6 51.789 9.305 -2.868 1.00 0.00 O ATOM 1448 CB ALA I 6 51.230 10.622 0.041 1.00 0.00 C ATOM 0 H ALA I 6 50.496 8.609 1.141 1.00 0.00 H new ATOM 0 HA ALA I 6 49.788 9.878 -1.422 1.00 0.00 H new ATOM 0 HB1 ALA I 6 51.603 11.406 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA I 6 50.481 11.040 0.714 1.00 0.00 H new ATOM 0 HB3 ALA I 6 52.056 10.216 0.625 1.00 0.00 H new ATOM 1454 N MET I 7 52.362 7.908 -1.276 1.00 0.00 N ATOM 1455 CA MET I 7 53.392 7.271 -2.145 1.00 0.00 C ATOM 1456 C MET I 7 52.827 7.016 -3.547 1.00 0.00 C ATOM 1457 O MET I 7 53.523 7.131 -4.537 1.00 0.00 O ATOM 1458 CB MET I 7 53.727 5.948 -1.455 1.00 0.00 C ATOM 1459 CG MET I 7 55.233 5.695 -1.543 1.00 0.00 C ATOM 1460 SD MET I 7 55.529 3.969 -2.003 1.00 0.00 S ATOM 1461 CE MET I 7 56.115 4.279 -3.687 1.00 0.00 C ATOM 0 H MET I 7 52.284 7.518 -0.337 1.00 0.00 H new ATOM 0 HA MET I 7 54.271 7.903 -2.270 1.00 0.00 H new ATOM 0 HB2 MET I 7 53.413 5.980 -0.412 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.182 5.131 -1.927 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.682 6.361 -2.280 1.00 0.00 H new ATOM 0 HG3 MET I 7 55.706 5.914 -0.586 1.00 0.00 H new ATOM 0 HE1 MET I 7 55.784 3.473 -4.342 1.00 0.00 H new ATOM 0 HE2 MET I 7 55.710 5.226 -4.044 1.00 0.00 H new ATOM 0 HE3 MET I 7 57.204 4.325 -3.691 1.00 0.00 H new ATOM 1471 N MET I 8 51.574 6.666 -3.640 1.00 0.00 N ATOM 1472 CA MET I 8 50.970 6.398 -4.978 1.00 0.00 C ATOM 1473 C MET I 8 50.473 7.700 -5.618 1.00 0.00 C ATOM 1474 O MET I 8 50.019 7.712 -6.745 1.00 0.00 O ATOM 1475 CB MET I 8 49.798 5.455 -4.700 1.00 0.00 C ATOM 1476 CG MET I 8 50.295 4.235 -3.923 1.00 0.00 C ATOM 1477 SD MET I 8 51.334 3.216 -4.998 1.00 0.00 S ATOM 1478 CE MET I 8 52.915 3.589 -4.202 1.00 0.00 C ATOM 0 H MET I 8 50.941 6.554 -2.848 1.00 0.00 H new ATOM 0 HA MET I 8 51.690 5.965 -5.672 1.00 0.00 H new ATOM 0 HB2 MET I 8 49.028 5.974 -4.129 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.341 5.140 -5.638 1.00 0.00 H new ATOM 0 HG2 MET I 8 50.862 4.554 -3.048 1.00 0.00 H new ATOM 0 HG3 MET I 8 49.448 3.653 -3.560 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.678 2.901 -4.568 1.00 0.00 H new ATOM 0 HE2 MET I 8 53.207 4.613 -4.436 1.00 0.00 H new ATOM 0 HE3 MET I 8 52.814 3.478 -3.122 1.00 0.00 H new ATOM 1488 N GLN I 9 50.547 8.793 -4.908 1.00 0.00 N ATOM 1489 CA GLN I 9 50.069 10.087 -5.482 1.00 0.00 C ATOM 1490 C GLN I 9 51.028 10.586 -6.569 1.00 0.00 C ATOM 1491 O GLN I 9 50.629 10.846 -7.686 1.00 0.00 O ATOM 1492 CB GLN I 9 50.050 11.059 -4.302 1.00 0.00 C ATOM 1493 CG GLN I 9 49.823 12.482 -4.816 1.00 0.00 C ATOM 1494 CD GLN I 9 48.771 13.176 -3.949 1.00 0.00 C ATOM 1495 OE1 GLN I 9 48.126 12.546 -3.134 1.00 0.00 O ATOM 1496 NE2 GLN I 9 48.569 14.457 -4.091 1.00 0.00 N ATOM 0 H GLN I 9 50.916 8.848 -3.959 1.00 0.00 H new ATOM 0 HA GLN I 9 49.090 9.987 -5.951 1.00 0.00 H new ATOM 0 HB2 GLN I 9 49.260 10.783 -3.603 1.00 0.00 H new ATOM 0 HB3 GLN I 9 50.992 11.004 -3.757 1.00 0.00 H new ATOM 0 HG2 GLN I 9 50.758 13.042 -4.791 1.00 0.00 H new ATOM 0 HG3 GLN I 9 49.494 12.457 -5.855 1.00 0.00 H new ATOM 0 HE21 GLN I 9 49.110 14.986 -4.775 1.00 0.00 H new ATOM 0 HE22 GLN I 9 47.870 14.930 -3.518 1.00 0.00 H new ATOM 1505 N ALA I 10 52.286 10.729 -6.249 1.00 0.00 N ATOM 1506 CA ALA I 10 53.260 11.221 -7.266 1.00 0.00 C ATOM 1507 C ALA I 10 53.724 10.077 -8.172 1.00 0.00 C ATOM 1508 O ALA I 10 53.653 10.164 -9.382 1.00 0.00 O ATOM 1509 CB ALA I 10 54.437 11.765 -6.456 1.00 0.00 C ATOM 0 H ALA I 10 52.681 10.527 -5.330 1.00 0.00 H new ATOM 0 HA ALA I 10 52.820 11.977 -7.916 1.00 0.00 H new ATOM 0 HB1 ALA I 10 55.200 12.147 -7.134 1.00 0.00 H new ATOM 0 HB2 ALA I 10 54.091 12.570 -5.808 1.00 0.00 H new ATOM 0 HB3 ALA I 10 54.860 10.966 -5.848 1.00 0.00 H new ATOM 1515 N LEU I 11 54.200 9.007 -7.599 1.00 0.00 N ATOM 1516 CA LEU I 11 54.672 7.862 -8.435 1.00 0.00 C ATOM 1517 C LEU I 11 53.770 6.643 -8.224 1.00 0.00 C ATOM 1518 O LEU I 11 53.106 6.517 -7.215 1.00 0.00 O ATOM 1519 CB LEU I 11 56.107 7.568 -7.974 1.00 0.00 C ATOM 1520 CG LEU I 11 56.231 7.762 -6.458 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.377 6.902 -5.923 1.00 0.00 C ATOM 1522 CD2 LEU I 11 56.521 9.234 -6.157 1.00 0.00 C ATOM 0 H LEU I 11 54.284 8.873 -6.591 1.00 0.00 H new ATOM 0 HA LEU I 11 54.641 8.098 -9.499 1.00 0.00 H new ATOM 0 HB2 LEU I 11 56.379 6.547 -8.240 1.00 0.00 H new ATOM 0 HB3 LEU I 11 56.804 8.228 -8.490 1.00 0.00 H new ATOM 0 HG LEU I 11 55.299 7.465 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU I 11 57.464 7.041 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU I 11 57.176 5.853 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU I 11 58.309 7.199 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU I 11 56.610 9.374 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.454 9.527 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU I 11 55.707 9.850 -6.538 1.00 0.00 H new ATOM 1534 N LEU I 12 53.737 5.750 -9.176 1.00 0.00 N ATOM 1535 CA LEU I 12 52.873 4.542 -9.040 1.00 0.00 C ATOM 1536 C LEU I 12 51.401 4.961 -8.985 1.00 0.00 C ATOM 1537 O LEU I 12 51.041 5.909 -8.317 1.00 0.00 O ATOM 1538 CB LEU I 12 53.295 3.887 -7.724 1.00 0.00 C ATOM 1539 CG LEU I 12 54.821 3.854 -7.630 1.00 0.00 C ATOM 1540 CD1 LEU I 12 55.271 4.631 -6.392 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.293 2.403 -7.518 1.00 0.00 C ATOM 0 H LEU I 12 54.272 5.805 -10.043 1.00 0.00 H new ATOM 0 HA LEU I 12 52.984 3.858 -9.881 1.00 0.00 H new ATOM 0 HB2 LEU I 12 52.881 4.441 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU I 12 52.896 2.874 -7.666 1.00 0.00 H new ATOM 0 HG LEU I 12 55.250 4.309 -8.523 1.00 0.00 H new ATOM 0 HD11 LEU I 12 56.359 4.608 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU I 12 54.934 5.665 -6.469 1.00 0.00 H new ATOM 0 HD13 LEU I 12 54.842 4.175 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.381 2.378 -7.451 1.00 0.00 H new ATOM 0 HD22 LEU I 12 54.864 1.949 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU I 12 54.971 1.847 -8.398 1.00 0.00 H new