USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 585 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 21 ASN : amide:sc= -0.643 K(o=0.27,f=-2.8) USER MOD Set 1.2: A 65 ASN : amide:sc= 0.908 K(o=0.27,f=-3.9) USER MOD Set 2.1: A 40 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.8!) USER MOD Set 2.2: A 52 GLN : amide:sc= 0 K(o=-2.9,f=-4.3) USER MOD Single : A 11 SER OG : rot 69:sc= 1.28 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.257 USER MOD Single : A 23 MET CE :methyl 169:sc= -0.0294 (180deg=-0.225) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= -0.684 (180deg=-0.807) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00452 USER MOD Single : A 30 GLN : amide:sc= -0.0946 X(o=-0.095,f=-0.17) USER MOD Single : A 38 MET CE :methyl -109:sc= -0.167 (180deg=-1.85) USER MOD Single : A 42 SER OG : rot 78:sc= 0.846 USER MOD Single : A 45 SER OG : rot 48:sc= 1.25 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -122:sc= -1.73 USER MOD Single : A 57 SER OG : rot 75:sc= 1.05 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.309 F(o=-1.5,f=-0.31) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.149 F(o=-1.3,f=-0.15) USER MOD Single : A 74 MET CE :methyl 160:sc= -0.162 (180deg=-0.641) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 70:sc= -0.669! USER MOD Single : A 84 MET CE :methyl -152:sc= -2.35 (180deg=-3.97!) USER MOD ----------------------------------------------------------------- ATOM 55 N SER A 11 7.367 -11.649 -4.659 1.00 0.00 N ATOM 56 CA SER A 11 8.088 -10.405 -4.927 1.00 0.00 C ATOM 57 C SER A 11 7.413 -9.210 -4.257 1.00 0.00 C ATOM 58 O SER A 11 8.079 -8.328 -3.722 1.00 0.00 O ATOM 59 CB SER A 11 8.202 -10.183 -6.435 1.00 0.00 C ATOM 60 OG SER A 11 6.966 -10.460 -7.085 1.00 0.00 O ATOM 0 HA SER A 11 9.088 -10.495 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.499 -9.153 -6.633 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.983 -10.824 -6.843 1.00 0.00 H new ATOM 0 HG SER A 11 6.305 -9.781 -6.834 1.00 0.00 H new ATOM 66 N GLU A 12 6.089 -9.214 -4.262 1.00 0.00 N ATOM 67 CA GLU A 12 5.302 -8.136 -3.667 1.00 0.00 C ATOM 68 C GLU A 12 5.475 -8.128 -2.144 1.00 0.00 C ATOM 69 O GLU A 12 5.282 -7.112 -1.485 1.00 0.00 O ATOM 70 CB GLU A 12 3.819 -8.321 -4.004 1.00 0.00 C ATOM 71 CG GLU A 12 3.547 -8.871 -5.399 1.00 0.00 C ATOM 72 CD GLU A 12 4.162 -8.041 -6.503 1.00 0.00 C ATOM 73 OE1 GLU A 12 3.670 -6.928 -6.757 1.00 0.00 O ATOM 74 OE2 GLU A 12 5.134 -8.518 -7.139 1.00 0.00 O ATOM 0 H GLU A 12 5.528 -9.959 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 12 5.654 -7.188 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.375 -8.993 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.315 -7.360 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.933 -9.888 -5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.470 -8.928 -5.555 1.00 0.00 H new ATOM 81 N THR A 13 5.834 -9.277 -1.605 1.00 0.00 N ATOM 82 CA THR A 13 6.029 -9.444 -0.179 1.00 0.00 C ATOM 83 C THR A 13 7.506 -9.250 0.178 1.00 0.00 C ATOM 84 O THR A 13 7.870 -9.117 1.340 1.00 0.00 O ATOM 85 CB THR A 13 5.579 -10.860 0.243 1.00 0.00 C ATOM 86 OG1 THR A 13 4.273 -11.119 -0.295 1.00 0.00 O ATOM 87 CG2 THR A 13 5.534 -11.005 1.758 1.00 0.00 C ATOM 0 H THR A 13 5.999 -10.125 -2.147 1.00 0.00 H new ATOM 0 HA THR A 13 5.434 -8.698 0.349 1.00 0.00 H new ATOM 0 HB THR A 13 6.303 -11.577 -0.145 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.983 -12.017 -0.032 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.213 -12.014 2.018 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.526 -10.822 2.171 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.830 -10.283 2.172 1.00 0.00 H new ATOM 95 N TYR A 14 8.342 -9.214 -0.841 1.00 0.00 N ATOM 96 CA TYR A 14 9.761 -9.095 -0.654 1.00 0.00 C ATOM 97 C TYR A 14 10.176 -7.631 -0.507 1.00 0.00 C ATOM 98 O TYR A 14 11.246 -7.328 0.022 1.00 0.00 O ATOM 99 CB TYR A 14 10.488 -9.746 -1.830 1.00 0.00 C ATOM 100 CG TYR A 14 11.970 -9.817 -1.649 1.00 0.00 C ATOM 101 CD1 TYR A 14 12.531 -10.758 -0.806 1.00 0.00 C ATOM 102 CD2 TYR A 14 12.812 -8.937 -2.305 1.00 0.00 C ATOM 103 CE1 TYR A 14 13.886 -10.824 -0.619 1.00 0.00 C ATOM 104 CE2 TYR A 14 14.172 -8.994 -2.131 1.00 0.00 C ATOM 105 CZ TYR A 14 14.709 -9.942 -1.282 1.00 0.00 C ATOM 106 OH TYR A 14 16.071 -10.004 -1.090 1.00 0.00 O ATOM 0 H TYR A 14 8.050 -9.267 -1.817 1.00 0.00 H new ATOM 0 HA TYR A 14 10.037 -9.609 0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.099 -10.754 -1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.267 -9.186 -2.739 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.889 -11.454 -0.286 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.392 -8.193 -2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.307 -11.564 0.045 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.817 -8.303 -2.654 1.00 0.00 H new ATOM 0 HH TYR A 14 16.509 -9.314 -1.631 1.00 0.00 H new ATOM 116 N ILE A 15 9.325 -6.732 -0.963 1.00 0.00 N ATOM 117 CA ILE A 15 9.619 -5.315 -0.894 1.00 0.00 C ATOM 118 C ILE A 15 8.729 -4.610 0.131 1.00 0.00 C ATOM 119 O ILE A 15 7.735 -5.175 0.608 1.00 0.00 O ATOM 120 CB ILE A 15 9.529 -4.632 -2.292 1.00 0.00 C ATOM 121 CG1 ILE A 15 8.285 -5.089 -3.071 1.00 0.00 C ATOM 122 CG2 ILE A 15 10.782 -4.927 -3.101 1.00 0.00 C ATOM 123 CD1 ILE A 15 6.983 -4.490 -2.589 1.00 0.00 C ATOM 0 H ILE A 15 8.425 -6.959 -1.385 1.00 0.00 H new ATOM 0 HA ILE A 15 10.651 -5.218 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 15 9.445 -3.558 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.418 -4.836 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.214 -6.175 -3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.708 -4.445 -4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.655 -4.544 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.883 -6.004 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.161 -4.869 -3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.820 -4.764 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.028 -3.404 -2.676 1.00 0.00 H new ATOM 135 N THR A 16 9.075 -3.384 0.468 1.00 0.00 N ATOM 136 CA THR A 16 8.349 -2.653 1.482 1.00 0.00 C ATOM 137 C THR A 16 7.586 -1.493 0.873 1.00 0.00 C ATOM 138 O THR A 16 7.775 -1.160 -0.299 1.00 0.00 O ATOM 139 CB THR A 16 9.304 -2.119 2.564 1.00 0.00 C ATOM 140 OG1 THR A 16 10.262 -1.230 1.970 1.00 0.00 O ATOM 141 CG2 THR A 16 10.032 -3.269 3.246 1.00 0.00 C ATOM 0 H THR A 16 9.855 -2.874 0.053 1.00 0.00 H new ATOM 0 HA THR A 16 7.642 -3.345 1.939 1.00 0.00 H new ATOM 0 HB THR A 16 8.719 -1.580 3.310 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.867 -0.891 2.662 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.703 -2.874 4.008 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.305 -3.934 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.609 -3.824 2.506 1.00 0.00 H new ATOM 149 N CYS A 17 6.728 -0.872 1.665 1.00 0.00 N ATOM 150 CA CYS A 17 5.960 0.261 1.190 1.00 0.00 C ATOM 151 C CYS A 17 6.853 1.505 1.113 1.00 0.00 C ATOM 152 O CYS A 17 6.540 2.465 0.416 1.00 0.00 O ATOM 153 CB CYS A 17 4.712 0.485 2.069 1.00 0.00 C ATOM 154 SG CYS A 17 4.676 2.047 2.999 1.00 0.00 S ATOM 0 H CYS A 17 6.548 -1.133 2.634 1.00 0.00 H new ATOM 0 HA CYS A 17 5.599 0.054 0.183 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.829 0.442 1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.635 -0.340 2.777 1.00 0.00 H new ATOM 159 N ALA A 18 7.984 1.463 1.826 1.00 0.00 N ATOM 160 CA ALA A 18 8.964 2.534 1.767 1.00 0.00 C ATOM 161 C ALA A 18 9.738 2.444 0.460 1.00 0.00 C ATOM 162 O ALA A 18 9.997 3.453 -0.194 1.00 0.00 O ATOM 163 CB ALA A 18 9.915 2.451 2.950 1.00 0.00 C ATOM 0 H ALA A 18 8.236 0.695 2.448 1.00 0.00 H new ATOM 0 HA ALA A 18 8.446 3.492 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.642 3.261 2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.350 2.539 3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.436 1.494 2.932 1.00 0.00 H new ATOM 169 N GLU A 19 10.102 1.215 0.082 1.00 0.00 N ATOM 170 CA GLU A 19 10.803 0.953 -1.174 1.00 0.00 C ATOM 171 C GLU A 19 9.950 1.398 -2.366 1.00 0.00 C ATOM 172 O GLU A 19 10.471 1.714 -3.440 1.00 0.00 O ATOM 173 CB GLU A 19 11.130 -0.546 -1.276 1.00 0.00 C ATOM 174 CG GLU A 19 11.943 -0.942 -2.501 1.00 0.00 C ATOM 175 CD GLU A 19 13.273 -0.221 -2.587 1.00 0.00 C ATOM 176 OE1 GLU A 19 14.028 -0.230 -1.589 1.00 0.00 O ATOM 177 OE2 GLU A 19 13.579 0.337 -3.654 1.00 0.00 O ATOM 0 H GLU A 19 9.919 0.379 0.637 1.00 0.00 H new ATOM 0 HA GLU A 19 11.732 1.523 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.677 -0.845 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.196 -1.107 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.120 -2.017 -2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.363 -0.731 -3.399 1.00 0.00 H new ATOM 184 N ALA A 20 8.638 1.442 -2.157 1.00 0.00 N ATOM 185 CA ALA A 20 7.714 1.866 -3.184 1.00 0.00 C ATOM 186 C ALA A 20 7.995 3.311 -3.609 1.00 0.00 C ATOM 187 O ALA A 20 7.739 3.685 -4.743 1.00 0.00 O ATOM 188 CB ALA A 20 6.278 1.721 -2.703 1.00 0.00 C ATOM 0 H ALA A 20 8.195 1.185 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 20 7.854 1.223 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.596 2.045 -3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.080 0.677 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.127 2.337 -1.816 1.00 0.00 H new ATOM 194 N ASN A 21 8.546 4.105 -2.684 1.00 0.00 N ATOM 195 CA ASN A 21 8.888 5.509 -2.963 1.00 0.00 C ATOM 196 C ASN A 21 10.029 5.578 -3.958 1.00 0.00 C ATOM 197 O ASN A 21 10.035 6.407 -4.873 1.00 0.00 O ATOM 198 CB ASN A 21 9.297 6.238 -1.675 1.00 0.00 C ATOM 199 CG ASN A 21 8.145 6.466 -0.724 1.00 0.00 C ATOM 200 OD1 ASN A 21 6.999 6.617 -1.143 1.00 0.00 O ATOM 201 ND2 ASN A 21 8.442 6.501 0.566 1.00 0.00 N ATOM 0 H ASN A 21 8.766 3.802 -1.735 1.00 0.00 H new ATOM 0 HA ASN A 21 8.006 5.995 -3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.068 5.659 -1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.740 7.199 -1.935 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.706 6.658 1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.407 6.371 0.871 1.00 0.00 H new ATOM 208 N GLU A 22 11.006 4.723 -3.749 1.00 0.00 N ATOM 209 CA GLU A 22 12.149 4.628 -4.632 1.00 0.00 C ATOM 210 C GLU A 22 11.696 4.274 -6.029 1.00 0.00 C ATOM 211 O GLU A 22 12.049 4.946 -6.996 1.00 0.00 O ATOM 212 CB GLU A 22 13.138 3.593 -4.108 1.00 0.00 C ATOM 213 CG GLU A 22 13.579 3.859 -2.682 1.00 0.00 C ATOM 214 CD GLU A 22 14.121 5.255 -2.507 1.00 0.00 C ATOM 215 OE1 GLU A 22 13.335 6.170 -2.208 1.00 0.00 O ATOM 216 OE2 GLU A 22 15.338 5.447 -2.681 1.00 0.00 O ATOM 0 H GLU A 22 11.031 4.074 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 22 12.652 5.595 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.683 2.604 -4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.014 3.576 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.735 3.711 -2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.343 3.136 -2.398 1.00 0.00 H new ATOM 223 N MET A 23 10.908 3.217 -6.124 1.00 0.00 N ATOM 224 CA MET A 23 10.342 2.786 -7.393 1.00 0.00 C ATOM 225 C MET A 23 9.474 3.891 -8.002 1.00 0.00 C ATOM 226 O MET A 23 9.570 4.175 -9.184 1.00 0.00 O ATOM 227 CB MET A 23 9.503 1.520 -7.187 1.00 0.00 C ATOM 228 CG MET A 23 10.283 0.347 -6.610 1.00 0.00 C ATOM 229 SD MET A 23 9.220 -1.030 -6.122 1.00 0.00 S ATOM 230 CE MET A 23 8.497 -1.490 -7.694 1.00 0.00 C ATOM 0 H MET A 23 10.643 2.635 -5.329 1.00 0.00 H new ATOM 0 HA MET A 23 11.160 2.570 -8.080 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.671 1.752 -6.522 1.00 0.00 H new ATOM 0 HB3 MET A 23 9.073 1.222 -8.143 1.00 0.00 H new ATOM 0 HG2 MET A 23 11.005 -0.002 -7.349 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.851 0.686 -5.744 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.974 -2.441 -7.590 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.792 -0.721 -8.009 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.284 -1.589 -8.441 1.00 0.00 H new ATOM 240 N ALA A 24 8.636 4.499 -7.160 1.00 0.00 N ATOM 241 CA ALA A 24 7.710 5.585 -7.561 1.00 0.00 C ATOM 242 C ALA A 24 8.362 6.645 -8.458 1.00 0.00 C ATOM 243 O ALA A 24 7.692 7.248 -9.293 1.00 0.00 O ATOM 244 CB ALA A 24 7.095 6.247 -6.337 1.00 0.00 C ATOM 0 H ALA A 24 8.573 4.257 -6.171 1.00 0.00 H new ATOM 0 HA ALA A 24 6.929 5.109 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.419 7.041 -6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.540 5.505 -5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.885 6.670 -5.716 1.00 0.00 H new ATOM 250 N LYS A 25 9.651 6.882 -8.273 1.00 0.00 N ATOM 251 CA LYS A 25 10.382 7.862 -9.083 1.00 0.00 C ATOM 252 C LYS A 25 10.337 7.529 -10.588 1.00 0.00 C ATOM 253 O LYS A 25 10.431 8.422 -11.430 1.00 0.00 O ATOM 254 CB LYS A 25 11.831 7.971 -8.614 1.00 0.00 C ATOM 255 CG LYS A 25 11.977 8.433 -7.174 1.00 0.00 C ATOM 256 CD LYS A 25 13.438 8.577 -6.787 1.00 0.00 C ATOM 257 CE LYS A 25 13.590 9.074 -5.357 1.00 0.00 C ATOM 258 NZ LYS A 25 13.092 8.087 -4.366 1.00 0.00 N ATOM 0 H LYS A 25 10.220 6.411 -7.569 1.00 0.00 H new ATOM 0 HA LYS A 25 9.884 8.822 -8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.313 7.000 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.362 8.666 -9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.468 9.388 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.491 7.719 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.940 7.616 -6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.929 9.271 -7.469 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.640 9.288 -5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.046 10.011 -5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.040 8.533 -3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.145 7.760 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.741 7.275 -4.328 1.00 0.00 H new ATOM 272 N THR A 26 10.186 6.261 -10.911 1.00 0.00 N ATOM 273 CA THR A 26 10.159 5.830 -12.308 1.00 0.00 C ATOM 274 C THR A 26 8.978 4.901 -12.586 1.00 0.00 C ATOM 275 O THR A 26 8.328 4.989 -13.628 1.00 0.00 O ATOM 276 CB THR A 26 11.475 5.122 -12.689 1.00 0.00 C ATOM 277 OG1 THR A 26 12.581 5.996 -12.423 1.00 0.00 O ATOM 278 CG2 THR A 26 11.481 4.732 -14.164 1.00 0.00 C ATOM 0 H THR A 26 10.080 5.507 -10.233 1.00 0.00 H new ATOM 0 HA THR A 26 10.044 6.726 -12.919 1.00 0.00 H new ATOM 0 HB THR A 26 11.563 4.214 -12.092 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.418 5.547 -12.663 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.421 4.235 -14.405 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.650 4.055 -14.365 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.376 5.627 -14.777 1.00 0.00 H new ATOM 286 N ASP A 27 8.693 4.041 -11.639 1.00 0.00 N ATOM 287 CA ASP A 27 7.643 3.053 -11.781 1.00 0.00 C ATOM 288 C ASP A 27 6.480 3.395 -10.874 1.00 0.00 C ATOM 289 O ASP A 27 5.954 2.528 -10.166 1.00 0.00 O ATOM 290 CB ASP A 27 8.176 1.658 -11.431 1.00 0.00 C ATOM 291 CG ASP A 27 9.297 1.205 -12.337 1.00 0.00 C ATOM 292 OD1 ASP A 27 9.010 0.667 -13.421 1.00 0.00 O ATOM 293 OD2 ASP A 27 10.476 1.371 -11.960 1.00 0.00 O ATOM 0 H ASP A 27 9.182 4.004 -10.745 1.00 0.00 H new ATOM 0 HA ASP A 27 7.303 3.055 -12.817 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.529 1.659 -10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.359 0.939 -11.487 1.00 0.00 H new ATOM 298 N SER A 28 6.066 4.655 -10.900 1.00 0.00 N ATOM 299 CA SER A 28 4.968 5.117 -10.074 1.00 0.00 C ATOM 300 C SER A 28 3.683 4.377 -10.402 1.00 0.00 C ATOM 301 O SER A 28 2.903 4.060 -9.508 1.00 0.00 O ATOM 302 CB SER A 28 4.785 6.624 -10.245 1.00 0.00 C ATOM 303 OG SER A 28 4.822 6.986 -11.614 1.00 0.00 O ATOM 0 H SER A 28 6.480 5.377 -11.490 1.00 0.00 H new ATOM 0 HA SER A 28 5.210 4.908 -9.032 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.834 6.931 -9.809 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.569 7.153 -9.704 1.00 0.00 H new ATOM 0 HG SER A 28 4.701 7.955 -11.700 1.00 0.00 H new ATOM 309 N ALA A 29 3.472 4.085 -11.683 1.00 0.00 N ATOM 310 CA ALA A 29 2.289 3.361 -12.110 1.00 0.00 C ATOM 311 C ALA A 29 2.237 1.979 -11.468 1.00 0.00 C ATOM 312 O ALA A 29 1.181 1.532 -11.044 1.00 0.00 O ATOM 313 CB ALA A 29 2.259 3.245 -13.625 1.00 0.00 C ATOM 0 H ALA A 29 4.107 4.341 -12.439 1.00 0.00 H new ATOM 0 HA ALA A 29 1.411 3.919 -11.785 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.366 2.700 -13.931 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.244 4.242 -14.066 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.145 2.710 -13.967 1.00 0.00 H new ATOM 319 N GLN A 30 3.394 1.322 -11.381 1.00 0.00 N ATOM 320 CA GLN A 30 3.478 -0.014 -10.796 1.00 0.00 C ATOM 321 C GLN A 30 2.985 -0.004 -9.355 1.00 0.00 C ATOM 322 O GLN A 30 1.960 -0.600 -9.037 1.00 0.00 O ATOM 323 CB GLN A 30 4.919 -0.537 -10.843 1.00 0.00 C ATOM 324 CG GLN A 30 5.472 -0.717 -12.245 1.00 0.00 C ATOM 325 CD GLN A 30 4.706 -1.746 -13.047 1.00 0.00 C ATOM 326 OE1 GLN A 30 3.739 -1.420 -13.736 1.00 0.00 O ATOM 327 NE2 GLN A 30 5.128 -2.991 -12.964 1.00 0.00 N ATOM 0 H GLN A 30 4.285 1.694 -11.709 1.00 0.00 H new ATOM 0 HA GLN A 30 2.841 -0.676 -11.383 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.562 0.154 -10.297 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.963 -1.493 -10.322 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.444 0.239 -12.768 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.518 -1.016 -12.183 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.934 -3.219 -12.381 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.649 -3.727 -13.482 1.00 0.00 H new ATOM 336 N VAL A 31 3.724 0.685 -8.490 1.00 0.00 N ATOM 337 CA VAL A 31 3.379 0.787 -7.076 1.00 0.00 C ATOM 338 C VAL A 31 1.959 1.315 -6.855 1.00 0.00 C ATOM 339 O VAL A 31 1.288 0.909 -5.909 1.00 0.00 O ATOM 340 CB VAL A 31 4.396 1.654 -6.290 1.00 0.00 C ATOM 341 CG1 VAL A 31 5.777 1.019 -6.336 1.00 0.00 C ATOM 342 CG2 VAL A 31 4.448 3.076 -6.833 1.00 0.00 C ATOM 0 H VAL A 31 4.574 1.186 -8.748 1.00 0.00 H new ATOM 0 HA VAL A 31 3.422 -0.231 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 31 4.064 1.704 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.481 1.638 -5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.736 0.026 -5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.105 0.937 -7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.170 3.658 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.748 3.055 -7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.463 3.535 -6.747 1.00 0.00 H new ATOM 352 N ALA A 32 1.491 2.191 -7.744 1.00 0.00 N ATOM 353 CA ALA A 32 0.148 2.740 -7.623 1.00 0.00 C ATOM 354 C ALA A 32 -0.890 1.660 -7.874 1.00 0.00 C ATOM 355 O ALA A 32 -1.897 1.591 -7.187 1.00 0.00 O ATOM 356 CB ALA A 32 -0.061 3.909 -8.574 1.00 0.00 C ATOM 0 H ALA A 32 2.019 2.531 -8.548 1.00 0.00 H new ATOM 0 HA ALA A 32 0.030 3.113 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.074 4.296 -8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.657 4.697 -8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.084 3.573 -9.601 1.00 0.00 H new ATOM 362 N GLU A 33 -0.626 0.802 -8.845 1.00 0.00 N ATOM 363 CA GLU A 33 -1.538 -0.280 -9.157 1.00 0.00 C ATOM 364 C GLU A 33 -1.513 -1.341 -8.069 1.00 0.00 C ATOM 365 O GLU A 33 -2.509 -1.995 -7.819 1.00 0.00 O ATOM 366 CB GLU A 33 -1.209 -0.905 -10.512 1.00 0.00 C ATOM 367 CG GLU A 33 -1.412 0.035 -11.685 1.00 0.00 C ATOM 368 CD GLU A 33 -2.812 0.599 -11.744 1.00 0.00 C ATOM 369 OE1 GLU A 33 -3.738 -0.139 -12.133 1.00 0.00 O ATOM 370 OE2 GLU A 33 -2.996 1.792 -11.423 1.00 0.00 O ATOM 0 H GLU A 33 0.210 0.835 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.542 0.140 -9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.173 -1.242 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.831 -1.789 -10.655 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.697 0.855 -11.616 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.199 -0.497 -12.612 1.00 0.00 H new ATOM 377 N ILE A 34 -0.382 -1.484 -7.404 1.00 0.00 N ATOM 378 CA ILE A 34 -0.254 -2.476 -6.353 1.00 0.00 C ATOM 379 C ILE A 34 -1.048 -2.038 -5.131 1.00 0.00 C ATOM 380 O ILE A 34 -1.785 -2.830 -4.529 1.00 0.00 O ATOM 381 CB ILE A 34 1.228 -2.707 -5.959 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.043 -3.146 -7.182 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.330 -3.750 -4.849 1.00 0.00 C ATOM 384 CD1 ILE A 34 3.525 -3.309 -6.907 1.00 0.00 C ATOM 0 H ILE A 34 0.457 -0.929 -7.572 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.650 -3.418 -6.734 1.00 0.00 H new ATOM 0 HB ILE A 34 1.637 -1.767 -5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.646 -4.092 -7.550 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.910 -2.413 -7.977 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.377 -3.899 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.781 -3.404 -3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.905 -4.692 -5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.032 -3.621 -7.820 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.939 -2.359 -6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.671 -4.064 -6.135 1.00 0.00 H new ATOM 396 N VAL A 35 -0.919 -0.765 -4.789 1.00 0.00 N ATOM 397 CA VAL A 35 -1.629 -0.222 -3.643 1.00 0.00 C ATOM 398 C VAL A 35 -3.122 -0.041 -3.947 1.00 0.00 C ATOM 399 O VAL A 35 -3.955 -0.121 -3.050 1.00 0.00 O ATOM 400 CB VAL A 35 -1.021 1.115 -3.140 1.00 0.00 C ATOM 401 CG1 VAL A 35 0.431 0.927 -2.723 1.00 0.00 C ATOM 402 CG2 VAL A 35 -1.142 2.214 -4.185 1.00 0.00 C ATOM 0 H VAL A 35 -0.333 -0.093 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.517 -0.953 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.593 1.426 -2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.835 1.877 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.487 0.192 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.012 0.577 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.706 3.135 -3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.613 1.915 -5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.194 2.381 -4.417 1.00 0.00 H new ATOM 412 N ALA A 36 -3.449 0.185 -5.213 1.00 0.00 N ATOM 413 CA ALA A 36 -4.834 0.372 -5.618 1.00 0.00 C ATOM 414 C ALA A 36 -5.545 -0.959 -5.847 1.00 0.00 C ATOM 415 O ALA A 36 -6.520 -1.269 -5.168 1.00 0.00 O ATOM 416 CB ALA A 36 -4.918 1.239 -6.868 1.00 0.00 C ATOM 0 H ALA A 36 -2.774 0.243 -5.975 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.343 0.882 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.962 1.366 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.476 2.214 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.376 0.758 -7.682 1.00 0.00 H new ATOM 422 N VAL A 37 -5.046 -1.745 -6.806 1.00 0.00 N ATOM 423 CA VAL A 37 -5.671 -3.022 -7.169 1.00 0.00 C ATOM 424 C VAL A 37 -5.839 -3.951 -5.969 1.00 0.00 C ATOM 425 O VAL A 37 -6.961 -4.252 -5.576 1.00 0.00 O ATOM 426 CB VAL A 37 -4.901 -3.752 -8.301 1.00 0.00 C ATOM 427 CG1 VAL A 37 -5.525 -5.112 -8.587 1.00 0.00 C ATOM 428 CG2 VAL A 37 -4.889 -2.903 -9.565 1.00 0.00 C ATOM 0 H VAL A 37 -4.210 -1.520 -7.346 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.664 -2.767 -7.540 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.874 -3.907 -7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.970 -5.607 -9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.491 -5.725 -7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.562 -4.979 -8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.345 -3.428 -10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.913 -2.722 -9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.400 -1.951 -9.359 1.00 0.00 H new ATOM 438 N MET A 38 -4.747 -4.413 -5.375 1.00 0.00 N ATOM 439 CA MET A 38 -4.863 -5.307 -4.239 1.00 0.00 C ATOM 440 C MET A 38 -5.353 -4.564 -3.012 1.00 0.00 C ATOM 441 O MET A 38 -6.127 -5.100 -2.228 1.00 0.00 O ATOM 442 CB MET A 38 -3.524 -5.967 -3.925 1.00 0.00 C ATOM 443 CG MET A 38 -3.612 -7.028 -2.836 1.00 0.00 C ATOM 444 SD MET A 38 -2.014 -7.417 -2.104 1.00 0.00 S ATOM 445 CE MET A 38 -1.639 -5.858 -1.296 1.00 0.00 C ATOM 0 H MET A 38 -3.792 -4.188 -5.655 1.00 0.00 H new ATOM 0 HA MET A 38 -5.588 -6.077 -4.504 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.130 -6.422 -4.834 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.813 -5.200 -3.618 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.289 -6.684 -2.055 1.00 0.00 H new ATOM 0 HG3 MET A 38 -4.044 -7.936 -3.255 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.829 -5.358 -1.828 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.524 -5.222 -1.303 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.335 -6.046 -0.266 1.00 0.00 H new ATOM 455 N GLY A 39 -4.900 -3.326 -2.855 1.00 0.00 N ATOM 456 CA GLY A 39 -5.272 -2.531 -1.696 1.00 0.00 C ATOM 457 C GLY A 39 -6.769 -2.373 -1.542 1.00 0.00 C ATOM 458 O GLY A 39 -7.330 -2.726 -0.500 1.00 0.00 O ATOM 0 H GLY A 39 -4.278 -2.855 -3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.867 -2.997 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.815 -1.545 -1.777 1.00 0.00 H new ATOM 462 N ASN A 40 -7.417 -1.851 -2.578 1.00 0.00 N ATOM 463 CA ASN A 40 -8.868 -1.644 -2.562 1.00 0.00 C ATOM 464 C ASN A 40 -9.609 -2.951 -2.290 1.00 0.00 C ATOM 465 O ASN A 40 -10.642 -2.961 -1.625 1.00 0.00 O ATOM 466 CB ASN A 40 -9.350 -1.008 -3.881 1.00 0.00 C ATOM 467 CG ASN A 40 -9.912 -2.015 -4.881 1.00 0.00 C ATOM 468 OD1 ASN A 40 -11.107 -2.316 -4.876 1.00 0.00 O ATOM 469 ND2 ASN A 40 -9.063 -2.527 -5.739 1.00 0.00 N ATOM 0 H ASN A 40 -6.962 -1.561 -3.444 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.095 -0.954 -1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.116 -0.266 -3.657 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.518 -0.477 -4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.384 -3.200 -6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.081 -2.252 -5.711 1.00 0.00 H new ATOM 476 N ALA A 41 -9.069 -4.051 -2.792 1.00 0.00 N ATOM 477 CA ALA A 41 -9.672 -5.350 -2.581 1.00 0.00 C ATOM 478 C ALA A 41 -9.484 -5.786 -1.137 1.00 0.00 C ATOM 479 O ALA A 41 -10.427 -6.203 -0.480 1.00 0.00 O ATOM 480 CB ALA A 41 -9.078 -6.374 -3.536 1.00 0.00 C ATOM 0 H ALA A 41 -8.214 -4.066 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.741 -5.278 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.543 -7.345 -3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.261 -6.062 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.004 -6.450 -3.366 1.00 0.00 H new ATOM 486 N SER A 42 -8.253 -5.668 -0.657 1.00 0.00 N ATOM 487 CA SER A 42 -7.900 -6.041 0.710 1.00 0.00 C ATOM 488 C SER A 42 -8.781 -5.316 1.736 1.00 0.00 C ATOM 489 O SER A 42 -9.338 -5.946 2.638 1.00 0.00 O ATOM 490 CB SER A 42 -6.417 -5.756 0.973 1.00 0.00 C ATOM 491 OG SER A 42 -5.600 -6.428 0.030 1.00 0.00 O ATOM 0 H SER A 42 -7.469 -5.311 -1.203 1.00 0.00 H new ATOM 0 HA SER A 42 -8.077 -7.111 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.233 -4.683 0.920 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.154 -6.075 1.981 1.00 0.00 H new ATOM 0 HG SER A 42 -5.616 -5.943 -0.821 1.00 0.00 H new ATOM 497 N VAL A 43 -8.930 -4.004 1.580 1.00 0.00 N ATOM 498 CA VAL A 43 -9.747 -3.225 2.505 1.00 0.00 C ATOM 499 C VAL A 43 -11.229 -3.597 2.378 1.00 0.00 C ATOM 500 O VAL A 43 -11.954 -3.667 3.374 1.00 0.00 O ATOM 501 CB VAL A 43 -9.556 -1.691 2.326 1.00 0.00 C ATOM 502 CG1 VAL A 43 -8.107 -1.297 2.572 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.004 -1.231 0.949 1.00 0.00 C ATOM 0 H VAL A 43 -8.501 -3.462 0.830 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.404 -3.478 3.508 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.184 -1.193 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.995 -0.221 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.823 -1.571 3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.463 -1.817 1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.856 -0.155 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.418 -1.743 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.060 -1.465 0.813 1.00 0.00 H new ATOM 513 N ALA A 44 -11.670 -3.879 1.155 1.00 0.00 N ATOM 514 CA ALA A 44 -13.053 -4.252 0.906 1.00 0.00 C ATOM 515 C ALA A 44 -13.324 -5.680 1.364 1.00 0.00 C ATOM 516 O ALA A 44 -14.471 -6.109 1.450 1.00 0.00 O ATOM 517 CB ALA A 44 -13.389 -4.094 -0.570 1.00 0.00 C ATOM 0 H ALA A 44 -11.084 -3.855 0.320 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.693 -3.584 1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.428 -4.377 -0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.243 -3.055 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.737 -4.736 -1.162 1.00 0.00 H new ATOM 523 N SER A 45 -12.263 -6.409 1.673 1.00 0.00 N ATOM 524 CA SER A 45 -12.392 -7.790 2.107 1.00 0.00 C ATOM 525 C SER A 45 -12.620 -7.868 3.603 1.00 0.00 C ATOM 526 O SER A 45 -12.867 -8.941 4.147 1.00 0.00 O ATOM 527 CB SER A 45 -11.149 -8.598 1.722 1.00 0.00 C ATOM 528 OG SER A 45 -10.967 -8.620 0.320 1.00 0.00 O ATOM 0 H SER A 45 -11.303 -6.067 1.631 1.00 0.00 H new ATOM 0 HA SER A 45 -13.258 -8.219 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.269 -8.166 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.245 -9.618 2.095 1.00 0.00 H new ATOM 0 HG SER A 45 -11.051 -7.710 -0.035 1.00 0.00 H new ATOM 534 N ARG A 46 -12.534 -6.732 4.278 1.00 0.00 N ATOM 535 CA ARG A 46 -12.675 -6.732 5.719 1.00 0.00 C ATOM 536 C ARG A 46 -13.955 -6.039 6.165 1.00 0.00 C ATOM 537 O ARG A 46 -14.470 -6.318 7.242 1.00 0.00 O ATOM 538 CB ARG A 46 -11.485 -6.019 6.347 1.00 0.00 C ATOM 539 CG ARG A 46 -10.133 -6.423 5.782 1.00 0.00 C ATOM 540 CD ARG A 46 -9.765 -7.846 6.138 1.00 0.00 C ATOM 541 NE ARG A 46 -8.369 -8.140 5.815 1.00 0.00 N ATOM 542 CZ ARG A 46 -7.903 -9.344 5.493 1.00 0.00 C ATOM 543 NH1 ARG A 46 -8.723 -10.389 5.426 1.00 0.00 N ATOM 544 NH2 ARG A 46 -6.609 -9.498 5.246 1.00 0.00 N ATOM 0 H ARG A 46 -12.370 -5.817 3.858 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.718 -7.771 6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.612 -4.944 6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.488 -6.212 7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.148 -6.314 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.367 -5.746 6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.935 -8.011 7.202 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.416 -8.536 5.601 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.705 -7.366 5.838 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.717 -10.271 5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.358 -11.309 5.178 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.980 -8.697 5.304 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.243 -10.417 4.998 1.00 0.00 H new ATOM 558 N ASP A 47 -14.470 -5.143 5.343 1.00 0.00 N ATOM 559 CA ASP A 47 -15.694 -4.428 5.701 1.00 0.00 C ATOM 560 C ASP A 47 -16.743 -4.519 4.625 1.00 0.00 C ATOM 561 O ASP A 47 -17.939 -4.431 4.911 1.00 0.00 O ATOM 562 CB ASP A 47 -15.395 -2.961 6.014 1.00 0.00 C ATOM 563 CG ASP A 47 -14.634 -2.793 7.309 1.00 0.00 C ATOM 564 OD1 ASP A 47 -15.226 -3.028 8.384 1.00 0.00 O ATOM 565 OD2 ASP A 47 -13.445 -2.436 7.264 1.00 0.00 O ATOM 0 H ASP A 47 -14.073 -4.892 4.438 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.091 -4.912 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.817 -2.528 5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.331 -2.406 6.071 1.00 0.00 H new ATOM 570 N LEU A 48 -16.293 -4.662 3.375 1.00 0.00 N ATOM 571 CA LEU A 48 -17.192 -4.779 2.215 1.00 0.00 C ATOM 572 C LEU A 48 -17.953 -3.462 1.963 1.00 0.00 C ATOM 573 O LEU A 48 -18.794 -3.374 1.080 1.00 0.00 O ATOM 574 CB LEU A 48 -18.170 -5.954 2.419 1.00 0.00 C ATOM 575 CG LEU A 48 -19.034 -6.341 1.223 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.164 -6.771 0.060 1.00 0.00 C ATOM 577 CD2 LEU A 48 -19.991 -7.454 1.608 1.00 0.00 C ATOM 0 H LEU A 48 -15.302 -4.700 3.136 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.588 -4.980 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -17.593 -6.829 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.830 -5.707 3.250 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.615 -5.471 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.796 -7.044 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.508 -5.949 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.561 -7.630 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -20.603 -7.722 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -19.423 -8.325 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -20.635 -7.115 2.419 1.00 0.00 H new ATOM 589 N LYS A 49 -17.619 -2.441 2.733 1.00 0.00 N ATOM 590 CA LYS A 49 -18.274 -1.143 2.625 1.00 0.00 C ATOM 591 C LYS A 49 -17.331 -0.117 2.017 1.00 0.00 C ATOM 592 O LYS A 49 -17.546 1.088 2.126 1.00 0.00 O ATOM 593 CB LYS A 49 -18.736 -0.676 4.008 1.00 0.00 C ATOM 594 CG LYS A 49 -19.816 -1.558 4.622 1.00 0.00 C ATOM 595 CD LYS A 49 -20.128 -1.156 6.059 1.00 0.00 C ATOM 596 CE LYS A 49 -18.967 -1.468 6.997 1.00 0.00 C ATOM 597 NZ LYS A 49 -19.281 -1.115 8.402 1.00 0.00 N ATOM 0 H LYS A 49 -16.892 -2.484 3.447 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.141 -1.244 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.877 -0.649 4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.113 0.344 3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -20.723 -1.493 4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.492 -2.599 4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.351 -0.090 6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -21.021 -1.681 6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.725 -2.529 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.082 -0.920 6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.467 -1.342 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.487 -0.098 8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.110 -1.657 8.719 1.00 0.00 H new ATOM 611 N ILE A 50 -16.292 -0.601 1.368 1.00 0.00 N ATOM 612 CA ILE A 50 -15.304 0.264 0.757 1.00 0.00 C ATOM 613 C ILE A 50 -15.253 0.013 -0.745 1.00 0.00 C ATOM 614 O ILE A 50 -15.386 -1.130 -1.194 1.00 0.00 O ATOM 615 CB ILE A 50 -13.898 0.038 1.378 1.00 0.00 C ATOM 616 CG1 ILE A 50 -13.968 0.166 2.908 1.00 0.00 C ATOM 617 CG2 ILE A 50 -12.893 1.039 0.809 1.00 0.00 C ATOM 618 CD1 ILE A 50 -12.661 -0.120 3.615 1.00 0.00 C ATOM 0 H ILE A 50 -16.109 -1.597 1.250 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.596 1.297 0.944 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.564 -0.968 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.293 1.175 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.729 -0.518 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.914 0.865 1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.826 0.913 -0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.221 2.053 1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.797 -0.008 4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.343 -1.139 3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.900 0.580 3.270 1.00 0.00 H new ATOM 630 N GLU A 51 -15.072 1.071 -1.513 1.00 0.00 N ATOM 631 CA GLU A 51 -15.019 0.968 -2.958 1.00 0.00 C ATOM 632 C GLU A 51 -13.727 1.586 -3.480 1.00 0.00 C ATOM 633 O GLU A 51 -13.178 2.503 -2.863 1.00 0.00 O ATOM 634 CB GLU A 51 -16.241 1.647 -3.584 1.00 0.00 C ATOM 635 CG GLU A 51 -16.380 1.419 -5.081 1.00 0.00 C ATOM 636 CD GLU A 51 -17.635 2.035 -5.645 1.00 0.00 C ATOM 637 OE1 GLU A 51 -17.618 3.246 -5.958 1.00 0.00 O ATOM 638 OE2 GLU A 51 -18.651 1.318 -5.772 1.00 0.00 O ATOM 0 H GLU A 51 -14.958 2.019 -1.155 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.034 -0.085 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.140 1.282 -3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.184 2.719 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.513 1.838 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.382 0.348 -5.283 1.00 0.00 H new ATOM 645 N GLN A 52 -13.245 1.078 -4.602 1.00 0.00 N ATOM 646 CA GLN A 52 -12.001 1.548 -5.191 1.00 0.00 C ATOM 647 C GLN A 52 -12.136 2.946 -5.776 1.00 0.00 C ATOM 648 O GLN A 52 -12.976 3.198 -6.644 1.00 0.00 O ATOM 649 CB GLN A 52 -11.505 0.575 -6.263 1.00 0.00 C ATOM 650 CG GLN A 52 -12.496 0.313 -7.388 1.00 0.00 C ATOM 651 CD GLN A 52 -11.945 -0.626 -8.438 1.00 0.00 C ATOM 652 OE1 GLN A 52 -11.135 -1.498 -8.142 1.00 0.00 O ATOM 653 NE2 GLN A 52 -12.374 -0.451 -9.666 1.00 0.00 N ATOM 0 H GLN A 52 -13.701 0.333 -5.128 1.00 0.00 H new ATOM 0 HA GLN A 52 -11.267 1.595 -4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.583 0.967 -6.693 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.257 -0.374 -5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.410 -0.109 -6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -12.767 1.259 -7.857 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -13.048 0.286 -9.870 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.033 -1.052 -10.416 1.00 0.00 H new ATOM 662 N SER A 53 -11.332 3.851 -5.281 1.00 0.00 N ATOM 663 CA SER A 53 -11.286 5.191 -5.797 1.00 0.00 C ATOM 664 C SER A 53 -9.843 5.685 -5.816 1.00 0.00 C ATOM 665 O SER A 53 -9.046 5.323 -4.935 1.00 0.00 O ATOM 666 CB SER A 53 -12.160 6.113 -4.949 1.00 0.00 C ATOM 667 OG SER A 53 -11.804 6.034 -3.585 1.00 0.00 O ATOM 0 H SER A 53 -10.690 3.678 -4.507 1.00 0.00 H new ATOM 0 HA SER A 53 -11.672 5.197 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.055 7.141 -5.297 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.208 5.840 -5.071 1.00 0.00 H new ATOM 0 HG SER A 53 -12.585 5.763 -3.058 1.00 0.00 H new ATOM 673 N PRO A 54 -9.472 6.491 -6.822 1.00 0.00 N ATOM 674 CA PRO A 54 -8.114 7.040 -6.936 1.00 0.00 C ATOM 675 C PRO A 54 -7.716 7.828 -5.694 1.00 0.00 C ATOM 676 O PRO A 54 -6.581 7.738 -5.224 1.00 0.00 O ATOM 677 CB PRO A 54 -8.208 7.977 -8.141 1.00 0.00 C ATOM 678 CG PRO A 54 -9.356 7.461 -8.935 1.00 0.00 C ATOM 679 CD PRO A 54 -10.334 6.920 -7.939 1.00 0.00 C ATOM 0 HA PRO A 54 -7.364 6.257 -7.044 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.375 9.008 -7.828 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.287 7.966 -8.724 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.805 8.254 -9.533 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.034 6.684 -9.628 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.052 7.678 -7.626 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.907 6.088 -8.348 1.00 0.00 H new ATOM 687 N GLU A 55 -8.674 8.580 -5.158 1.00 0.00 N ATOM 688 CA GLU A 55 -8.452 9.397 -3.974 1.00 0.00 C ATOM 689 C GLU A 55 -8.044 8.543 -2.781 1.00 0.00 C ATOM 690 O GLU A 55 -7.036 8.810 -2.134 1.00 0.00 O ATOM 691 CB GLU A 55 -9.717 10.181 -3.636 1.00 0.00 C ATOM 692 CG GLU A 55 -10.164 11.125 -4.734 1.00 0.00 C ATOM 693 CD GLU A 55 -9.142 12.197 -5.026 1.00 0.00 C ATOM 694 OE1 GLU A 55 -8.831 12.990 -4.117 1.00 0.00 O ATOM 695 OE2 GLU A 55 -8.657 12.265 -6.182 1.00 0.00 O ATOM 0 H GLU A 55 -9.621 8.638 -5.532 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.639 10.090 -4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.523 9.478 -3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.545 10.754 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.357 10.555 -5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.105 11.593 -4.445 1.00 0.00 H new ATOM 702 N LEU A 56 -8.820 7.501 -2.510 1.00 0.00 N ATOM 703 CA LEU A 56 -8.545 6.623 -1.374 1.00 0.00 C ATOM 704 C LEU A 56 -7.218 5.908 -1.548 1.00 0.00 C ATOM 705 O LEU A 56 -6.468 5.741 -0.588 1.00 0.00 O ATOM 706 CB LEU A 56 -9.683 5.614 -1.163 1.00 0.00 C ATOM 707 CG LEU A 56 -10.832 6.072 -0.245 1.00 0.00 C ATOM 708 CD1 LEU A 56 -11.461 7.367 -0.744 1.00 0.00 C ATOM 709 CD2 LEU A 56 -11.885 4.980 -0.128 1.00 0.00 C ATOM 0 H LEU A 56 -9.641 7.242 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.480 7.247 -0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.102 5.361 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.258 4.699 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.413 6.265 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -12.268 7.662 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.705 8.152 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.860 7.215 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.690 5.319 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.288 4.756 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.432 4.082 0.292 1.00 0.00 H new ATOM 721 N SER A 57 -6.924 5.513 -2.778 1.00 0.00 N ATOM 722 CA SER A 57 -5.670 4.847 -3.083 1.00 0.00 C ATOM 723 C SER A 57 -4.500 5.782 -2.756 1.00 0.00 C ATOM 724 O SER A 57 -3.602 5.428 -1.992 1.00 0.00 O ATOM 725 CB SER A 57 -5.640 4.435 -4.557 1.00 0.00 C ATOM 726 OG SER A 57 -6.785 3.656 -4.885 1.00 0.00 O ATOM 0 H SER A 57 -7.539 5.643 -3.581 1.00 0.00 H new ATOM 0 HA SER A 57 -5.579 3.947 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.606 5.324 -5.187 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.735 3.864 -4.762 1.00 0.00 H new ATOM 0 HG SER A 57 -7.570 4.239 -4.950 1.00 0.00 H new ATOM 732 N ALA A 58 -4.525 6.973 -3.353 1.00 0.00 N ATOM 733 CA ALA A 58 -3.535 8.007 -3.071 1.00 0.00 C ATOM 734 C ALA A 58 -3.381 8.250 -1.562 1.00 0.00 C ATOM 735 O ALA A 58 -2.274 8.385 -1.064 1.00 0.00 O ATOM 736 CB ALA A 58 -3.906 9.301 -3.780 1.00 0.00 C ATOM 0 H ALA A 58 -5.227 7.245 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.574 7.656 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.159 10.063 -3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.944 9.129 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.882 9.639 -3.433 1.00 0.00 H new ATOM 742 N LYS A 59 -4.490 8.267 -0.839 1.00 0.00 N ATOM 743 CA LYS A 59 -4.452 8.516 0.600 1.00 0.00 C ATOM 744 C LYS A 59 -3.702 7.403 1.343 1.00 0.00 C ATOM 745 O LYS A 59 -2.736 7.674 2.077 1.00 0.00 O ATOM 746 CB LYS A 59 -5.866 8.686 1.173 1.00 0.00 C ATOM 747 CG LYS A 59 -6.585 9.936 0.677 1.00 0.00 C ATOM 748 CD LYS A 59 -7.966 10.093 1.309 1.00 0.00 C ATOM 749 CE LYS A 59 -7.878 10.301 2.816 1.00 0.00 C ATOM 750 NZ LYS A 59 -9.202 10.580 3.420 1.00 0.00 N ATOM 0 H LYS A 59 -5.424 8.113 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.908 9.448 0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.460 7.810 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.805 8.721 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.981 10.815 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.686 9.889 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.480 10.940 0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.565 9.207 1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.449 9.413 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.202 11.129 3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.094 10.715 4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.601 11.442 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.841 9.779 3.241 1.00 0.00 H new ATOM 764 N VAL A 60 -4.144 6.156 1.145 1.00 0.00 N ATOM 765 CA VAL A 60 -3.528 4.991 1.807 1.00 0.00 C ATOM 766 C VAL A 60 -2.036 4.835 1.491 1.00 0.00 C ATOM 767 O VAL A 60 -1.338 4.144 2.199 1.00 0.00 O ATOM 768 CB VAL A 60 -4.265 3.646 1.526 1.00 0.00 C ATOM 769 CG1 VAL A 60 -5.763 3.780 1.745 1.00 0.00 C ATOM 770 CG2 VAL A 60 -3.948 3.097 0.139 1.00 0.00 C ATOM 0 H VAL A 60 -4.926 5.923 0.532 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.633 5.213 2.869 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.890 2.919 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.247 2.825 1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.955 4.071 2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.162 4.540 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.483 2.160 -0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.258 3.818 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.876 2.920 0.054 1.00 0.00 H new ATOM 780 N VAL A 61 -1.553 5.476 0.434 1.00 0.00 N ATOM 781 CA VAL A 61 -0.138 5.351 0.082 1.00 0.00 C ATOM 782 C VAL A 61 0.668 6.576 0.553 1.00 0.00 C ATOM 783 O VAL A 61 1.782 6.435 1.057 1.00 0.00 O ATOM 784 CB VAL A 61 0.093 5.082 -1.440 1.00 0.00 C ATOM 785 CG1 VAL A 61 -0.352 6.254 -2.298 1.00 0.00 C ATOM 786 CG2 VAL A 61 1.557 4.733 -1.713 1.00 0.00 C ATOM 0 H VAL A 61 -2.102 6.075 -0.183 1.00 0.00 H new ATOM 0 HA VAL A 61 0.229 4.472 0.612 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.524 4.227 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.173 6.024 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.415 6.436 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.213 7.144 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.695 4.550 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.193 5.562 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.828 3.838 -1.153 1.00 0.00 H new ATOM 796 N GLU A 62 0.075 7.769 0.419 1.00 0.00 N ATOM 797 CA GLU A 62 0.730 9.022 0.826 1.00 0.00 C ATOM 798 C GLU A 62 1.015 9.028 2.321 1.00 0.00 C ATOM 799 O GLU A 62 2.033 9.550 2.774 1.00 0.00 O ATOM 800 CB GLU A 62 -0.130 10.235 0.452 1.00 0.00 C ATOM 801 CG GLU A 62 -0.178 10.531 -1.042 1.00 0.00 C ATOM 802 CD GLU A 62 1.147 11.010 -1.586 1.00 0.00 C ATOM 803 OE1 GLU A 62 1.449 12.210 -1.439 1.00 0.00 O ATOM 804 OE2 GLU A 62 1.893 10.195 -2.168 1.00 0.00 O ATOM 0 H GLU A 62 -0.860 7.895 0.031 1.00 0.00 H new ATOM 0 HA GLU A 62 1.678 9.087 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.146 10.070 0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.254 11.112 0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.481 9.631 -1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.939 11.287 -1.234 1.00 0.00 H new ATOM 811 N LYS A 63 0.111 8.446 3.077 1.00 0.00 N ATOM 812 CA LYS A 63 0.264 8.361 4.512 1.00 0.00 C ATOM 813 C LYS A 63 1.148 7.171 4.892 1.00 0.00 C ATOM 814 O LYS A 63 2.099 7.304 5.654 1.00 0.00 O ATOM 815 CB LYS A 63 -1.109 8.232 5.174 1.00 0.00 C ATOM 816 CG LYS A 63 -1.049 8.043 6.674 1.00 0.00 C ATOM 817 CD LYS A 63 -2.439 7.924 7.291 1.00 0.00 C ATOM 818 CE LYS A 63 -3.250 9.198 7.102 1.00 0.00 C ATOM 819 NZ LYS A 63 -4.597 9.099 7.721 1.00 0.00 N ATOM 0 H LYS A 63 -0.744 8.021 2.718 1.00 0.00 H new ATOM 0 HA LYS A 63 0.747 9.272 4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.694 9.125 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.637 7.387 4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.472 7.147 6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.523 8.885 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.968 7.085 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.347 7.705 8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.711 10.039 7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.355 9.406 6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.115 9.988 7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.122 8.313 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.498 8.926 8.742 1.00 0.00 H new ATOM 833 N LEU A 64 0.810 6.020 4.347 1.00 0.00 N ATOM 834 CA LEU A 64 1.517 4.772 4.637 1.00 0.00 C ATOM 835 C LEU A 64 3.029 4.870 4.401 1.00 0.00 C ATOM 836 O LEU A 64 3.813 4.459 5.254 1.00 0.00 O ATOM 837 CB LEU A 64 0.926 3.635 3.827 1.00 0.00 C ATOM 838 CG LEU A 64 1.420 2.241 4.161 1.00 0.00 C ATOM 839 CD1 LEU A 64 1.192 1.937 5.637 1.00 0.00 C ATOM 840 CD2 LEU A 64 0.707 1.228 3.283 1.00 0.00 C ATOM 0 H LEU A 64 0.038 5.915 3.689 1.00 0.00 H new ATOM 0 HA LEU A 64 1.381 4.572 5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.157 3.653 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.128 3.826 2.773 1.00 0.00 H new ATOM 0 HG LEU A 64 2.491 2.181 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.552 0.933 5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.734 2.661 6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.127 1.999 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.062 0.225 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.367 1.285 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.914 1.445 2.235 1.00 0.00 H new ATOM 852 N ASN A 65 3.441 5.416 3.248 1.00 0.00 N ATOM 853 CA ASN A 65 4.873 5.534 2.929 1.00 0.00 C ATOM 854 C ASN A 65 5.606 6.415 3.937 1.00 0.00 C ATOM 855 O ASN A 65 6.829 6.411 3.994 1.00 0.00 O ATOM 856 CB ASN A 65 5.100 6.055 1.494 1.00 0.00 C ATOM 857 CG ASN A 65 5.052 7.576 1.374 1.00 0.00 C ATOM 858 OD1 ASN A 65 6.061 8.260 1.548 1.00 0.00 O ATOM 859 ND2 ASN A 65 3.897 8.108 1.049 1.00 0.00 N ATOM 0 H ASN A 65 2.814 5.778 2.529 1.00 0.00 H new ATOM 0 HA ASN A 65 5.289 4.529 2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.068 5.703 1.139 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.344 5.624 0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.815 9.118 0.933 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.081 7.511 0.912 1.00 0.00 H new ATOM 866 N GLN A 66 4.850 7.155 4.733 1.00 0.00 N ATOM 867 CA GLN A 66 5.431 7.992 5.756 1.00 0.00 C ATOM 868 C GLN A 66 5.761 7.128 6.953 1.00 0.00 C ATOM 869 O GLN A 66 6.813 7.265 7.569 1.00 0.00 O ATOM 870 CB GLN A 66 4.460 9.102 6.159 1.00 0.00 C ATOM 871 CG GLN A 66 5.139 10.427 6.427 1.00 0.00 C ATOM 872 CD GLN A 66 5.866 10.944 5.205 1.00 0.00 C ATOM 873 OE1 GLN A 66 5.344 10.631 4.029 1.00 0.00 O flip ATOM 874 NE2 GLN A 66 6.883 11.623 5.315 1.00 0.00 N flip ATOM 0 H GLN A 66 3.832 7.189 4.685 1.00 0.00 H new ATOM 0 HA GLN A 66 6.337 8.462 5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.722 9.234 5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.917 8.793 7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.396 11.159 6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.846 10.313 7.249 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.253 11.842 6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.358 11.968 4.481 1.00 0.00 H new ATOM 883 N VAL A 67 4.844 6.229 7.262 1.00 0.00 N ATOM 884 CA VAL A 67 5.015 5.284 8.343 1.00 0.00 C ATOM 885 C VAL A 67 6.151 4.313 8.021 1.00 0.00 C ATOM 886 O VAL A 67 7.032 4.083 8.848 1.00 0.00 O ATOM 887 CB VAL A 67 3.714 4.490 8.615 1.00 0.00 C ATOM 888 CG1 VAL A 67 3.831 3.689 9.901 1.00 0.00 C ATOM 889 CG2 VAL A 67 2.512 5.426 8.673 1.00 0.00 C ATOM 0 H VAL A 67 3.957 6.136 6.766 1.00 0.00 H new ATOM 0 HA VAL A 67 5.262 5.851 9.240 1.00 0.00 H new ATOM 0 HB VAL A 67 3.564 3.793 7.791 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.906 3.139 10.073 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.661 2.987 9.818 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.011 4.366 10.736 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.609 4.847 8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.655 6.152 9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.412 5.949 7.722 1.00 0.00 H new ATOM 899 N CYS A 68 6.148 3.757 6.799 1.00 0.00 N ATOM 900 CA CYS A 68 7.216 2.843 6.366 1.00 0.00 C ATOM 901 C CYS A 68 8.545 3.577 6.258 1.00 0.00 C ATOM 902 O CYS A 68 9.602 2.965 6.179 1.00 0.00 O ATOM 903 CB CYS A 68 6.887 2.230 5.013 1.00 0.00 C ATOM 904 SG CYS A 68 5.228 1.516 4.873 1.00 0.00 S ATOM 0 H CYS A 68 5.425 3.923 6.099 1.00 0.00 H new ATOM 0 HA CYS A 68 7.294 2.055 7.115 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.001 2.997 4.247 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.619 1.452 4.797 1.00 0.00 H new ATOM 909 N ALA A 69 8.484 4.893 6.258 1.00 0.00 N ATOM 910 CA ALA A 69 9.687 5.695 6.196 1.00 0.00 C ATOM 911 C ALA A 69 10.303 5.771 7.580 1.00 0.00 C ATOM 912 O ALA A 69 11.453 6.179 7.745 1.00 0.00 O ATOM 913 CB ALA A 69 9.389 7.089 5.665 1.00 0.00 C ATOM 0 H ALA A 69 7.617 5.428 6.300 1.00 0.00 H new ATOM 0 HA ALA A 69 10.392 5.227 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.311 7.669 5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.968 7.014 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.674 7.584 6.323 1.00 0.00 H new ATOM 919 N LYS A 70 9.519 5.379 8.577 1.00 0.00 N ATOM 920 CA LYS A 70 9.965 5.379 9.957 1.00 0.00 C ATOM 921 C LYS A 70 10.380 3.975 10.381 1.00 0.00 C ATOM 922 O LYS A 70 11.079 3.799 11.376 1.00 0.00 O ATOM 923 CB LYS A 70 8.854 5.895 10.883 1.00 0.00 C ATOM 924 CG LYS A 70 8.199 7.193 10.422 1.00 0.00 C ATOM 925 CD LYS A 70 9.235 8.238 10.056 1.00 0.00 C ATOM 926 CE LYS A 70 8.593 9.563 9.700 1.00 0.00 C ATOM 927 NZ LYS A 70 9.596 10.565 9.269 1.00 0.00 N ATOM 0 H LYS A 70 8.561 5.054 8.448 1.00 0.00 H new ATOM 0 HA LYS A 70 10.826 6.043 10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.086 5.127 10.971 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.270 6.046 11.879 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.561 6.994 9.561 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.556 7.578 11.213 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.921 8.379 10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.828 7.883 9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.866 9.411 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.046 9.945 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.116 11.457 9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.276 10.729 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.101 10.213 8.431 1.00 0.00 H new ATOM 941 N ASP A 71 9.952 2.983 9.618 1.00 0.00 N ATOM 942 CA ASP A 71 10.274 1.588 9.897 1.00 0.00 C ATOM 943 C ASP A 71 10.376 0.808 8.594 1.00 0.00 C ATOM 944 O ASP A 71 9.395 0.679 7.863 1.00 0.00 O ATOM 945 CB ASP A 71 9.218 0.951 10.804 1.00 0.00 C ATOM 946 CG ASP A 71 9.497 -0.518 11.075 1.00 0.00 C ATOM 947 OD1 ASP A 71 10.323 -0.816 11.962 1.00 0.00 O ATOM 948 OD2 ASP A 71 8.889 -1.374 10.406 1.00 0.00 O ATOM 0 H ASP A 71 9.373 3.118 8.789 1.00 0.00 H new ATOM 0 HA ASP A 71 11.233 1.556 10.414 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.182 1.492 11.750 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.236 1.052 10.341 1.00 0.00 H new ATOM 953 N PRO A 72 11.563 0.270 8.288 1.00 0.00 N ATOM 954 CA PRO A 72 11.799 -0.443 7.036 1.00 0.00 C ATOM 955 C PRO A 72 11.278 -1.878 7.066 1.00 0.00 C ATOM 956 O PRO A 72 11.238 -2.549 6.038 1.00 0.00 O ATOM 957 CB PRO A 72 13.321 -0.431 6.918 1.00 0.00 C ATOM 958 CG PRO A 72 13.808 -0.435 8.329 1.00 0.00 C ATOM 959 CD PRO A 72 12.771 0.302 9.142 1.00 0.00 C ATOM 0 HA PRO A 72 11.281 0.022 6.197 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.683 -1.302 6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.670 0.451 6.381 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.934 -1.455 8.693 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.780 0.053 8.406 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.595 -0.185 10.101 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.083 1.324 9.355 1.00 0.00 H new ATOM 967 N GLN A 73 10.893 -2.348 8.241 1.00 0.00 N ATOM 968 CA GLN A 73 10.400 -3.709 8.404 1.00 0.00 C ATOM 969 C GLN A 73 8.950 -3.853 7.909 1.00 0.00 C ATOM 970 O GLN A 73 8.423 -4.965 7.818 1.00 0.00 O ATOM 971 CB GLN A 73 10.496 -4.111 9.879 1.00 0.00 C ATOM 972 CG GLN A 73 10.441 -5.609 10.122 1.00 0.00 C ATOM 973 CD GLN A 73 11.631 -6.341 9.532 1.00 0.00 C ATOM 974 OE1 GLN A 73 12.776 -5.679 9.491 1.00 0.00 O flip ATOM 975 NE2 GLN A 73 11.523 -7.499 9.125 1.00 0.00 N flip ATOM 0 H GLN A 73 10.912 -1.803 9.103 1.00 0.00 H new ATOM 0 HA GLN A 73 11.019 -4.371 7.798 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.428 -3.722 10.290 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.683 -3.635 10.427 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.399 -5.798 11.195 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.523 -6.009 9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.622 -7.975 9.174 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.334 -7.982 8.739 1.00 0.00 H new ATOM 984 N MET A 74 8.320 -2.736 7.590 1.00 0.00 N ATOM 985 CA MET A 74 6.936 -2.749 7.131 1.00 0.00 C ATOM 986 C MET A 74 6.818 -3.211 5.675 1.00 0.00 C ATOM 987 O MET A 74 7.009 -2.424 4.738 1.00 0.00 O ATOM 988 CB MET A 74 6.294 -1.369 7.296 1.00 0.00 C ATOM 989 CG MET A 74 6.200 -0.903 8.740 1.00 0.00 C ATOM 990 SD MET A 74 5.399 0.706 8.905 1.00 0.00 S ATOM 991 CE MET A 74 3.756 0.337 8.289 1.00 0.00 C ATOM 0 H MET A 74 8.741 -1.808 7.639 1.00 0.00 H new ATOM 0 HA MET A 74 6.402 -3.467 7.753 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.870 -0.640 6.726 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.293 -1.391 6.865 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.646 -1.641 9.320 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.202 -0.850 9.166 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.056 1.093 8.644 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.768 0.336 7.199 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.444 -0.643 8.649 1.00 0.00 H new ATOM 1001 N LEU A 75 6.514 -4.495 5.495 1.00 0.00 N ATOM 1002 CA LEU A 75 6.308 -5.070 4.164 1.00 0.00 C ATOM 1003 C LEU A 75 5.097 -4.424 3.505 1.00 0.00 C ATOM 1004 O LEU A 75 4.105 -4.142 4.171 1.00 0.00 O ATOM 1005 CB LEU A 75 6.113 -6.591 4.252 1.00 0.00 C ATOM 1006 CG LEU A 75 7.390 -7.453 4.263 1.00 0.00 C ATOM 1007 CD1 LEU A 75 8.351 -7.010 5.353 1.00 0.00 C ATOM 1008 CD2 LEU A 75 7.034 -8.918 4.441 1.00 0.00 C ATOM 0 H LEU A 75 6.404 -5.162 6.259 1.00 0.00 H new ATOM 0 HA LEU A 75 7.194 -4.874 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.547 -6.810 5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.498 -6.905 3.408 1.00 0.00 H new ATOM 0 HG LEU A 75 7.890 -7.321 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.241 -7.640 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.637 -5.972 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.866 -7.100 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.945 -9.516 4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.506 -9.052 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.395 -9.240 3.619 1.00 0.00 H new ATOM 1020 N LEU A 76 5.178 -4.209 2.196 1.00 0.00 N ATOM 1021 CA LEU A 76 4.122 -3.512 1.453 1.00 0.00 C ATOM 1022 C LEU A 76 2.759 -4.202 1.604 1.00 0.00 C ATOM 1023 O LEU A 76 1.758 -3.547 1.907 1.00 0.00 O ATOM 1024 CB LEU A 76 4.516 -3.376 -0.034 1.00 0.00 C ATOM 1025 CG LEU A 76 3.642 -2.442 -0.898 1.00 0.00 C ATOM 1026 CD1 LEU A 76 4.431 -1.940 -2.096 1.00 0.00 C ATOM 1027 CD2 LEU A 76 2.386 -3.159 -1.376 1.00 0.00 C ATOM 0 H LEU A 76 5.966 -4.507 1.621 1.00 0.00 H new ATOM 0 HA LEU A 76 4.018 -2.515 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.545 -3.021 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.500 -4.369 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 76 3.345 -1.594 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.802 -1.283 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.306 -1.389 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.752 -2.788 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.788 -2.479 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.667 -4.026 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.803 -3.485 -0.515 1.00 0.00 H new ATOM 1039 N ILE A 77 2.731 -5.517 1.405 1.00 0.00 N ATOM 1040 CA ILE A 77 1.482 -6.284 1.488 1.00 0.00 C ATOM 1041 C ILE A 77 0.831 -6.148 2.865 1.00 0.00 C ATOM 1042 O ILE A 77 -0.380 -5.955 2.977 1.00 0.00 O ATOM 1043 CB ILE A 77 1.710 -7.785 1.172 1.00 0.00 C ATOM 1044 CG1 ILE A 77 2.342 -7.957 -0.215 1.00 0.00 C ATOM 1045 CG2 ILE A 77 0.399 -8.564 1.259 1.00 0.00 C ATOM 1046 CD1 ILE A 77 1.511 -7.381 -1.346 1.00 0.00 C ATOM 0 H ILE A 77 3.555 -6.077 1.185 1.00 0.00 H new ATOM 0 HA ILE A 77 0.811 -5.866 0.737 1.00 0.00 H new ATOM 0 HB ILE A 77 2.397 -8.185 1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.322 -7.480 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.504 -9.019 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.584 -9.614 1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.011 -8.476 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.313 -8.159 0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.025 -7.542 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.539 -7.874 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.371 -6.312 -1.187 1.00 0.00 H new ATOM 1058 N THR A 78 1.643 -6.216 3.904 1.00 0.00 N ATOM 1059 CA THR A 78 1.142 -6.127 5.257 1.00 0.00 C ATOM 1060 C THR A 78 0.747 -4.687 5.580 1.00 0.00 C ATOM 1061 O THR A 78 -0.278 -4.442 6.194 1.00 0.00 O ATOM 1062 CB THR A 78 2.197 -6.610 6.266 1.00 0.00 C ATOM 1063 OG1 THR A 78 2.755 -7.856 5.815 1.00 0.00 O ATOM 1064 CG2 THR A 78 1.577 -6.803 7.644 1.00 0.00 C ATOM 0 H THR A 78 2.654 -6.333 3.833 1.00 0.00 H new ATOM 0 HA THR A 78 0.265 -6.769 5.334 1.00 0.00 H new ATOM 0 HB THR A 78 2.980 -5.855 6.339 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.429 -8.164 6.457 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.341 -7.145 8.342 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.164 -5.857 7.993 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.782 -7.546 7.584 1.00 0.00 H new ATOM 1072 N ALA A 79 1.587 -3.752 5.154 1.00 0.00 N ATOM 1073 CA ALA A 79 1.371 -2.323 5.373 1.00 0.00 C ATOM 1074 C ALA A 79 -0.052 -1.869 4.986 1.00 0.00 C ATOM 1075 O ALA A 79 -0.754 -1.259 5.797 1.00 0.00 O ATOM 1076 CB ALA A 79 2.423 -1.528 4.615 1.00 0.00 C ATOM 0 H ALA A 79 2.444 -3.963 4.643 1.00 0.00 H new ATOM 0 HA ALA A 79 1.469 -2.132 6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.262 -0.462 4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.415 -1.804 4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.347 -1.747 3.550 1.00 0.00 H new ATOM 1082 N ILE A 80 -0.469 -2.162 3.752 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.809 -1.793 3.290 1.00 0.00 C ATOM 1084 C ILE A 80 -2.888 -2.469 4.142 1.00 0.00 C ATOM 1085 O ILE A 80 -3.836 -1.822 4.596 1.00 0.00 O ATOM 1086 CB ILE A 80 -2.024 -2.182 1.809 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.920 -1.591 0.931 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -3.393 -1.711 1.329 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -1.011 -2.006 -0.520 1.00 0.00 C ATOM 0 H ILE A 80 0.098 -2.650 3.059 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.891 -0.711 3.389 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.982 -3.268 1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.962 -0.504 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.049 -1.895 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.529 -1.992 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.171 -2.176 1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.459 -0.627 1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.196 -1.549 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.938 -3.091 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.965 -1.678 -0.933 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.718 -3.767 4.367 1.00 0.00 N ATOM 1102 CA ASP A 81 -3.664 -4.557 5.160 1.00 0.00 C ATOM 1103 C ASP A 81 -3.769 -4.022 6.588 1.00 0.00 C ATOM 1104 O ASP A 81 -4.852 -3.965 7.165 1.00 0.00 O ATOM 1105 CB ASP A 81 -3.237 -6.031 5.167 1.00 0.00 C ATOM 1106 CG ASP A 81 -4.037 -6.885 6.134 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -5.156 -7.322 5.776 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -3.529 -7.152 7.246 1.00 0.00 O ATOM 0 H ASP A 81 -1.927 -4.302 4.009 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.649 -4.475 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.343 -6.437 4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.180 -6.094 5.426 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.641 -3.611 7.140 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.605 -3.069 8.491 1.00 0.00 C ATOM 1115 C ASP A 82 -3.283 -1.703 8.543 1.00 0.00 C ATOM 1116 O ASP A 82 -3.979 -1.381 9.499 1.00 0.00 O ATOM 1117 CB ASP A 82 -1.166 -2.972 8.990 1.00 0.00 C ATOM 1118 CG ASP A 82 -1.090 -2.643 10.462 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -1.271 -3.563 11.289 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -0.842 -1.474 10.804 1.00 0.00 O ATOM 0 H ASP A 82 -1.734 -3.642 6.674 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.153 -3.747 9.146 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.655 -3.917 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.638 -2.207 8.421 1.00 0.00 H new ATOM 1125 N THR A 83 -3.089 -0.908 7.497 1.00 0.00 N ATOM 1126 CA THR A 83 -3.726 0.396 7.393 1.00 0.00 C ATOM 1127 C THR A 83 -5.251 0.250 7.357 1.00 0.00 C ATOM 1128 O THR A 83 -5.980 1.144 7.773 1.00 0.00 O ATOM 1129 CB THR A 83 -3.233 1.153 6.141 1.00 0.00 C ATOM 1130 OG1 THR A 83 -1.807 1.266 6.192 1.00 0.00 O ATOM 1131 CG2 THR A 83 -3.839 2.551 6.061 1.00 0.00 C ATOM 0 H THR A 83 -2.492 -1.147 6.706 1.00 0.00 H new ATOM 0 HA THR A 83 -3.451 0.975 8.275 1.00 0.00 H new ATOM 0 HB THR A 83 -3.544 0.592 5.259 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.404 0.383 6.057 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.471 3.056 5.168 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.925 2.474 6.013 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.554 3.122 6.945 1.00 0.00 H new ATOM 1139 N MET A 84 -5.716 -0.909 6.894 1.00 0.00 N ATOM 1140 CA MET A 84 -7.144 -1.203 6.854 1.00 0.00 C ATOM 1141 C MET A 84 -7.698 -1.190 8.274 1.00 0.00 C ATOM 1142 O MET A 84 -8.816 -0.729 8.523 1.00 0.00 O ATOM 1143 CB MET A 84 -7.385 -2.567 6.172 1.00 0.00 C ATOM 1144 CG MET A 84 -8.815 -3.098 6.250 1.00 0.00 C ATOM 1145 SD MET A 84 -9.234 -3.814 7.864 1.00 0.00 S ATOM 1146 CE MET A 84 -7.904 -5.006 8.081 1.00 0.00 C ATOM 0 H MET A 84 -5.122 -1.660 6.541 1.00 0.00 H new ATOM 0 HA MET A 84 -7.663 -0.443 6.270 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.104 -2.483 5.122 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.718 -3.302 6.623 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.508 -2.286 6.031 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.956 -3.855 5.478 1.00 0.00 H new ATOM 0 HE1 MET A 84 -8.251 -5.828 8.707 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.600 -5.393 7.108 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.054 -4.520 8.559 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.883 -1.679 9.200 1.00 0.00 N ATOM 1157 CA ARG A 85 -7.237 -1.717 10.609 1.00 0.00 C ATOM 1158 C ARG A 85 -7.407 -0.297 11.125 1.00 0.00 C ATOM 1159 O ARG A 85 -8.372 0.014 11.822 1.00 0.00 O ATOM 1160 CB ARG A 85 -6.141 -2.428 11.405 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.798 -3.814 10.883 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.559 -4.371 11.562 1.00 0.00 C ATOM 1163 NE ARG A 85 -4.763 -4.584 12.993 1.00 0.00 N ATOM 1164 CZ ARG A 85 -3.783 -4.621 13.898 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -2.524 -4.363 13.546 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -4.069 -4.888 15.165 1.00 0.00 N ATOM 0 H ARG A 85 -5.959 -2.060 8.994 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.172 -2.263 10.730 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.241 -1.813 11.393 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.457 -2.511 12.445 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.640 -4.486 11.050 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.635 -3.769 9.806 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.282 -5.315 11.092 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.726 -3.684 11.414 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.720 -4.713 13.323 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.302 -4.135 12.577 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.782 -4.394 14.246 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.034 -5.064 15.444 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.324 -4.918 15.861 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.460 0.563 10.763 1.00 0.00 N ATOM 1181 CA ALA A 86 -6.494 1.964 11.153 1.00 0.00 C ATOM 1182 C ALA A 86 -7.675 2.695 10.513 1.00 0.00 C ATOM 1183 O ALA A 86 -8.211 3.645 11.092 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.183 2.645 10.787 1.00 0.00 C ATOM 0 H ALA A 86 -5.653 0.308 10.194 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.625 2.008 12.234 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.222 3.693 11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.360 2.151 11.304 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.027 2.579 9.710 1.00 0.00 H new ATOM 1190 N ILE A 87 -8.071 2.266 9.314 1.00 0.00 N ATOM 1191 CA ILE A 87 -9.212 2.867 8.619 1.00 0.00 C ATOM 1192 C ILE A 87 -10.521 2.589 9.369 1.00 0.00 C ATOM 1193 O ILE A 87 -11.263 3.522 9.690 1.00 0.00 O ATOM 1194 CB ILE A 87 -9.332 2.355 7.156 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -8.119 2.803 6.332 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -10.630 2.846 6.509 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -8.120 2.291 4.905 1.00 0.00 C ATOM 0 H ILE A 87 -7.620 1.506 8.804 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.035 3.942 8.593 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.356 1.265 7.178 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.086 3.892 6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.210 2.463 6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.690 2.474 5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.483 2.478 7.079 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.643 3.936 6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.230 2.651 4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.121 1.201 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.010 2.652 4.389 1.00 0.00 H new ATOM 1209 N GLY A 88 -10.763 1.304 9.673 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.988 0.875 10.368 1.00 0.00 C ATOM 1211 C GLY A 88 -13.248 1.609 9.925 1.00 0.00 C ATOM 1212 O GLY A 88 -13.878 2.296 10.731 1.00 0.00 O ATOM 0 H GLY A 88 -10.124 0.541 9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.128 -0.194 10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.854 1.021 11.440 1.00 0.00 H new