USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 676 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 46 SER OG : rot 130:sc= 0.102 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.473 K(o=-0.37,f=-1.6) USER MOD Set 2.1: A 33 ASN : amide:sc= 0 X(o=0.044,f=0.044) USER MOD Set 2.2: A 36 THR OG1 : rot -84:sc= 0.0441 USER MOD Single : A 1 GLN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 1 GLN N :NH3+ -139:sc= -0.15 (180deg=-2.35) USER MOD Single : A 5 MET CE :methyl 136:sc= -0.332 (180deg=-2.59!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -150:sc= -1.42 USER MOD Single : A 14 THR OG1 : rot 68:sc= 0.749 USER MOD Single : A 17 CYS SG : rot -23:sc= 0.308 USER MOD Single : A 18 LYS NZ :NH3+ 161:sc= -0.0267 (180deg=-0.287) USER MOD Single : A 19 SER OG : rot 74:sc= 0.804 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.418 K(o=-0.42,f=-3.4!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.519 K(o=-0.52,f=-1.2) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.669 USER MOD Single : A 61 LYS NZ :NH3+ 151:sc= -0.0659 (180deg=-0.515) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 79:sc= 0.0758 USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.0237 (180deg=-0.156) USER MOD Single : A 76 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0359 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.041 -1.213 -1.493 1.00 0.00 N ATOM 2 CA GLN A 1 1.689 -0.688 -1.344 1.00 0.00 C ATOM 3 C GLN A 1 0.865 -0.939 -2.603 1.00 0.00 C ATOM 4 O GLN A 1 1.391 -1.390 -3.621 1.00 0.00 O ATOM 5 CB GLN A 1 1.731 0.811 -1.039 1.00 0.00 C ATOM 6 CG GLN A 1 2.608 1.165 0.151 1.00 0.00 C ATOM 7 CD GLN A 1 1.937 0.871 1.478 1.00 0.00 C ATOM 8 OE1 GLN A 1 2.384 0.010 2.236 1.00 0.00 O ATOM 9 NE2 GLN A 1 0.857 1.588 1.767 1.00 0.00 N ATOM 0 H1 GLN A 1 3.335 -1.671 -0.607 1.00 0.00 H new ATOM 0 H2 GLN A 1 3.060 -1.909 -2.265 1.00 0.00 H new ATOM 0 H3 GLN A 1 3.694 -0.434 -1.713 1.00 0.00 H new ATOM 0 HA GLN A 1 1.215 -1.208 -0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 1 2.095 1.342 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 1 0.717 1.164 -0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 1 3.542 0.606 0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.866 2.223 0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.521 2.292 1.109 1.00 0.00 H new ATOM 0 HE22 GLN A 1 0.364 1.435 2.647 1.00 0.00 H new ATOM 18 N ARG A 2 -0.429 -0.645 -2.526 1.00 0.00 N ATOM 19 CA ARG A 2 -1.325 -0.841 -3.659 1.00 0.00 C ATOM 20 C ARG A 2 -0.874 -0.013 -4.859 1.00 0.00 C ATOM 21 O ARG A 2 -0.874 -0.493 -5.992 1.00 0.00 O ATOM 22 CB ARG A 2 -2.757 -0.465 -3.275 1.00 0.00 C ATOM 23 CG ARG A 2 -3.437 -1.489 -2.381 1.00 0.00 C ATOM 24 CD ARG A 2 -4.726 -0.942 -1.787 1.00 0.00 C ATOM 25 NE ARG A 2 -5.807 -0.905 -2.768 1.00 0.00 N ATOM 26 CZ ARG A 2 -6.425 -1.990 -3.222 1.00 0.00 C ATOM 27 NH1 ARG A 2 -6.070 -3.191 -2.785 1.00 0.00 N ATOM 28 NH2 ARG A 2 -7.400 -1.876 -4.114 1.00 0.00 N ATOM 0 H ARG A 2 -0.880 -0.270 -1.691 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.295 -1.895 -3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.746 0.499 -2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.347 -0.340 -4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.654 -2.389 -2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.760 -1.779 -1.578 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.026 -1.559 -0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.550 0.063 -1.403 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.104 0.004 -3.124 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.321 -3.283 -2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.546 -4.022 -3.135 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.676 -0.954 -4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.873 -2.710 -4.462 1.00 0.00 H new ATOM 42 N GLU A 3 -0.492 1.234 -4.600 1.00 0.00 N ATOM 43 CA GLU A 3 -0.041 2.129 -5.659 1.00 0.00 C ATOM 44 C GLU A 3 1.104 1.503 -6.450 1.00 0.00 C ATOM 45 O GLU A 3 1.225 1.712 -7.657 1.00 0.00 O ATOM 46 CB GLU A 3 0.405 3.469 -5.070 1.00 0.00 C ATOM 47 CG GLU A 3 1.676 3.377 -4.243 1.00 0.00 C ATOM 48 CD GLU A 3 2.035 4.691 -3.576 1.00 0.00 C ATOM 49 OE1 GLU A 3 1.469 5.731 -3.974 1.00 0.00 O ATOM 50 OE2 GLU A 3 2.880 4.679 -2.657 1.00 0.00 O ATOM 0 H GLU A 3 -0.486 1.647 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.878 2.299 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.560 4.179 -5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -0.396 3.867 -4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.554 2.608 -3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.500 3.062 -4.884 1.00 0.00 H new ATOM 57 N GLU A 4 1.941 0.735 -5.760 1.00 0.00 N ATOM 58 CA GLU A 4 3.077 0.079 -6.398 1.00 0.00 C ATOM 59 C GLU A 4 2.608 -0.901 -7.470 1.00 0.00 C ATOM 60 O GLU A 4 3.081 -0.868 -8.605 1.00 0.00 O ATOM 61 CB GLU A 4 3.922 -0.655 -5.355 1.00 0.00 C ATOM 62 CG GLU A 4 4.424 0.243 -4.237 1.00 0.00 C ATOM 63 CD GLU A 4 5.395 1.299 -4.728 1.00 0.00 C ATOM 64 OE1 GLU A 4 4.938 2.281 -5.350 1.00 0.00 O ATOM 65 OE2 GLU A 4 6.611 1.144 -4.491 1.00 0.00 O ATOM 0 H GLU A 4 1.854 0.552 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 4 3.687 0.847 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.330 -1.462 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.776 -1.116 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.575 0.730 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.911 -0.368 -3.477 1.00 0.00 H new ATOM 72 N MET A 5 1.675 -1.772 -7.099 1.00 0.00 N ATOM 73 CA MET A 5 1.141 -2.761 -8.028 1.00 0.00 C ATOM 74 C MET A 5 0.409 -2.084 -9.182 1.00 0.00 C ATOM 75 O MET A 5 0.574 -2.462 -10.342 1.00 0.00 O ATOM 76 CB MET A 5 0.195 -3.718 -7.300 1.00 0.00 C ATOM 77 CG MET A 5 0.767 -4.268 -6.004 1.00 0.00 C ATOM 78 SD MET A 5 2.333 -5.128 -6.244 1.00 0.00 S ATOM 79 CE MET A 5 3.394 -4.221 -5.123 1.00 0.00 C ATOM 0 H MET A 5 1.273 -1.813 -6.162 1.00 0.00 H new ATOM 0 HA MET A 5 1.978 -3.329 -8.435 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.739 -3.199 -7.084 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.048 -4.549 -7.962 1.00 0.00 H new ATOM 0 HG2 MET A 5 0.911 -3.449 -5.299 1.00 0.00 H new ATOM 0 HG3 MET A 5 0.047 -4.952 -5.555 1.00 0.00 H new ATOM 0 HE1 MET A 5 4.011 -4.921 -4.559 1.00 0.00 H new ATOM 0 HE2 MET A 5 4.036 -3.549 -5.693 1.00 0.00 H new ATOM 0 HE3 MET A 5 2.782 -3.640 -4.433 1.00 0.00 H new ATOM 89 N VAL A 6 -0.400 -1.081 -8.857 1.00 0.00 N ATOM 90 CA VAL A 6 -1.157 -0.350 -9.866 1.00 0.00 C ATOM 91 C VAL A 6 -0.228 0.302 -10.884 1.00 0.00 C ATOM 92 O VAL A 6 -0.448 0.208 -12.092 1.00 0.00 O ATOM 93 CB VAL A 6 -2.044 0.735 -9.227 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.941 1.376 -10.274 1.00 0.00 C ATOM 95 CG2 VAL A 6 -2.870 0.147 -8.093 1.00 0.00 C ATOM 0 H VAL A 6 -0.548 -0.756 -7.902 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.793 -1.076 -10.372 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.399 1.510 -8.813 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.560 2.140 -9.804 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.326 1.834 -11.049 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.581 0.615 -10.721 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.491 0.927 -7.653 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.507 -0.648 -8.481 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.205 -0.260 -7.332 1.00 0.00 H new ATOM 105 N LYS A 7 0.811 0.964 -10.388 1.00 0.00 N ATOM 106 CA LYS A 7 1.777 1.632 -11.253 1.00 0.00 C ATOM 107 C LYS A 7 2.501 0.624 -12.140 1.00 0.00 C ATOM 108 O LYS A 7 2.664 0.842 -13.341 1.00 0.00 O ATOM 109 CB LYS A 7 2.792 2.411 -10.413 1.00 0.00 C ATOM 110 CG LYS A 7 3.703 3.305 -11.236 1.00 0.00 C ATOM 111 CD LYS A 7 4.510 4.242 -10.353 1.00 0.00 C ATOM 112 CE LYS A 7 3.702 5.469 -9.958 1.00 0.00 C ATOM 113 NZ LYS A 7 4.446 6.340 -9.006 1.00 0.00 N ATOM 0 H LYS A 7 1.006 1.053 -9.391 1.00 0.00 H new ATOM 0 HA LYS A 7 1.234 2.328 -11.893 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.257 3.022 -9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.402 1.706 -9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.380 2.690 -11.829 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.106 3.888 -11.937 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.831 3.712 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.412 4.553 -10.880 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.449 6.040 -10.851 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.762 5.154 -9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.862 7.165 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.666 5.803 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.331 6.661 -9.448 1.00 0.00 H new ATOM 127 N LYS A 8 2.933 -0.480 -11.541 1.00 0.00 N ATOM 128 CA LYS A 8 3.638 -1.524 -12.276 1.00 0.00 C ATOM 129 C LYS A 8 2.739 -2.141 -13.343 1.00 0.00 C ATOM 130 O LYS A 8 3.145 -2.301 -14.494 1.00 0.00 O ATOM 131 CB LYS A 8 4.128 -2.610 -11.316 1.00 0.00 C ATOM 132 CG LYS A 8 5.458 -3.224 -11.720 1.00 0.00 C ATOM 133 CD LYS A 8 5.576 -4.662 -11.243 1.00 0.00 C ATOM 134 CE LYS A 8 6.275 -4.747 -9.895 1.00 0.00 C ATOM 135 NZ LYS A 8 6.083 -6.077 -9.254 1.00 0.00 N ATOM 0 H LYS A 8 2.807 -0.675 -10.548 1.00 0.00 H new ATOM 0 HA LYS A 8 4.497 -1.069 -12.769 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.222 -2.184 -10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.377 -3.397 -11.257 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.561 -3.190 -12.805 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.274 -2.633 -11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.582 -5.104 -11.167 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.129 -5.246 -11.978 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.340 -4.557 -10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.891 -3.968 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.574 -6.095 -8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.068 -6.248 -9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.472 -6.819 -9.870 1.00 0.00 H new ATOM 149 N CYS A 9 1.516 -2.483 -12.953 1.00 0.00 N ATOM 150 CA CYS A 9 0.559 -3.082 -13.876 1.00 0.00 C ATOM 151 C CYS A 9 0.330 -2.179 -15.083 1.00 0.00 C ATOM 152 O CYS A 9 0.423 -2.621 -16.229 1.00 0.00 O ATOM 153 CB CYS A 9 -0.769 -3.349 -13.165 1.00 0.00 C ATOM 154 SG CYS A 9 -1.183 -5.102 -13.010 1.00 0.00 S ATOM 0 H CYS A 9 1.164 -2.356 -12.004 1.00 0.00 H new ATOM 0 HA CYS A 9 0.972 -4.028 -14.226 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.732 -2.906 -12.170 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.568 -2.845 -13.709 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.475 -5.244 -13.009 1.00 0.00 H new ATOM 160 N LEU A 10 0.028 -0.912 -14.819 1.00 0.00 N ATOM 161 CA LEU A 10 -0.216 0.054 -15.885 1.00 0.00 C ATOM 162 C LEU A 10 0.997 0.172 -16.802 1.00 0.00 C ATOM 163 O LEU A 10 0.865 0.174 -18.025 1.00 0.00 O ATOM 164 CB LEU A 10 -0.556 1.422 -15.291 1.00 0.00 C ATOM 165 CG LEU A 10 -1.570 2.260 -16.071 1.00 0.00 C ATOM 166 CD1 LEU A 10 -2.962 1.660 -15.952 1.00 0.00 C ATOM 167 CD2 LEU A 10 -1.563 3.700 -15.579 1.00 0.00 C ATOM 0 H LEU A 10 -0.054 -0.530 -13.877 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.061 -0.299 -16.476 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.939 1.272 -14.281 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.366 1.996 -15.201 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.284 2.256 -17.123 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.670 2.270 -16.513 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.957 0.647 -16.354 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.258 1.633 -14.903 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.290 4.282 -16.145 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.824 3.724 -14.521 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.570 4.127 -15.718 1.00 0.00 H new ATOM 179 N GLY A 11 2.179 0.268 -16.201 1.00 0.00 N ATOM 180 CA GLY A 11 3.399 0.383 -16.979 1.00 0.00 C ATOM 181 C GLY A 11 3.595 -0.786 -17.925 1.00 0.00 C ATOM 182 O GLY A 11 4.018 -0.604 -19.066 1.00 0.00 O ATOM 0 H GLY A 11 2.314 0.268 -15.190 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.375 1.310 -17.552 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.252 0.447 -16.304 1.00 0.00 H new ATOM 186 N GLU A 12 3.289 -1.989 -17.449 1.00 0.00 N ATOM 187 CA GLU A 12 3.437 -3.191 -18.261 1.00 0.00 C ATOM 188 C GLU A 12 2.311 -3.298 -19.285 1.00 0.00 C ATOM 189 O GLU A 12 2.528 -3.720 -20.422 1.00 0.00 O ATOM 190 CB GLU A 12 3.451 -4.435 -17.371 1.00 0.00 C ATOM 191 CG GLU A 12 4.583 -4.446 -16.357 1.00 0.00 C ATOM 192 CD GLU A 12 5.933 -4.720 -16.992 1.00 0.00 C ATOM 193 OE1 GLU A 12 6.543 -3.768 -17.522 1.00 0.00 O ATOM 194 OE2 GLU A 12 6.378 -5.886 -16.959 1.00 0.00 O ATOM 0 H GLU A 12 2.938 -2.157 -16.506 1.00 0.00 H new ATOM 0 HA GLU A 12 4.385 -3.124 -18.795 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.500 -4.504 -16.842 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.530 -5.321 -18.001 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.615 -3.485 -15.844 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.381 -5.204 -15.601 1.00 0.00 H new ATOM 201 N LEU A 13 1.107 -2.913 -18.874 1.00 0.00 N ATOM 202 CA LEU A 13 -0.054 -2.966 -19.755 1.00 0.00 C ATOM 203 C LEU A 13 0.147 -2.074 -20.976 1.00 0.00 C ATOM 204 O LEU A 13 -0.265 -2.417 -22.085 1.00 0.00 O ATOM 205 CB LEU A 13 -1.313 -2.537 -18.998 1.00 0.00 C ATOM 206 CG LEU A 13 -2.527 -3.456 -19.139 1.00 0.00 C ATOM 207 CD1 LEU A 13 -2.182 -4.868 -18.692 1.00 0.00 C ATOM 208 CD2 LEU A 13 -3.702 -2.914 -18.340 1.00 0.00 C ATOM 0 H LEU A 13 0.910 -2.561 -17.937 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.174 -3.995 -20.095 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.066 -2.455 -17.940 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.595 -1.541 -19.338 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.813 -3.489 -20.190 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.058 -5.508 -18.799 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.371 -5.257 -19.308 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.869 -4.853 -17.648 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.557 -3.581 -18.452 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.427 -2.850 -17.287 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.965 -1.922 -18.707 1.00 0.00 H new ATOM 220 N THR A 14 0.785 -0.927 -20.765 1.00 0.00 N ATOM 221 CA THR A 14 1.043 0.015 -21.848 1.00 0.00 C ATOM 222 C THR A 14 1.869 -0.632 -22.954 1.00 0.00 C ATOM 223 O THR A 14 1.537 -0.523 -24.134 1.00 0.00 O ATOM 224 CB THR A 14 1.779 1.269 -21.339 1.00 0.00 C ATOM 225 OG1 THR A 14 0.995 1.923 -20.335 1.00 0.00 O ATOM 226 CG2 THR A 14 2.056 2.234 -22.482 1.00 0.00 C ATOM 0 H THR A 14 1.133 -0.628 -19.854 1.00 0.00 H new ATOM 0 HA THR A 14 0.073 0.310 -22.248 1.00 0.00 H new ATOM 0 HB THR A 14 2.731 0.956 -20.909 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.948 1.357 -19.537 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.576 3.112 -22.099 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.677 1.742 -23.231 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.114 2.540 -22.936 1.00 0.00 H new ATOM 234 N GLU A 15 2.947 -1.306 -22.564 1.00 0.00 N ATOM 235 CA GLU A 15 3.820 -1.970 -23.525 1.00 0.00 C ATOM 236 C GLU A 15 3.116 -3.162 -24.167 1.00 0.00 C ATOM 237 O GLU A 15 3.256 -3.408 -25.365 1.00 0.00 O ATOM 238 CB GLU A 15 5.108 -2.433 -22.841 1.00 0.00 C ATOM 239 CG GLU A 15 5.846 -1.320 -22.115 1.00 0.00 C ATOM 240 CD GLU A 15 7.338 -1.575 -22.019 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.752 -2.355 -21.137 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.091 -0.993 -22.828 1.00 0.00 O ATOM 0 H GLU A 15 3.236 -1.406 -21.591 1.00 0.00 H new ATOM 0 HA GLU A 15 4.069 -1.253 -24.307 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.868 -3.223 -22.129 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.770 -2.869 -23.589 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.675 -0.377 -22.634 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.435 -1.211 -21.112 1.00 0.00 H new ATOM 249 N VAL A 16 2.359 -3.899 -23.361 1.00 0.00 N ATOM 250 CA VAL A 16 1.632 -5.065 -23.850 1.00 0.00 C ATOM 251 C VAL A 16 0.578 -4.665 -24.876 1.00 0.00 C ATOM 252 O VAL A 16 0.485 -5.261 -25.950 1.00 0.00 O ATOM 253 CB VAL A 16 0.948 -5.823 -22.697 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.159 -7.009 -23.232 1.00 0.00 C ATOM 255 CG2 VAL A 16 1.977 -6.276 -21.673 1.00 0.00 C ATOM 0 H VAL A 16 2.233 -3.710 -22.367 1.00 0.00 H new ATOM 0 HA VAL A 16 2.364 -5.720 -24.322 1.00 0.00 H new ATOM 0 HB VAL A 16 0.251 -5.146 -22.203 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.317 -7.533 -22.403 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.605 -6.655 -23.925 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.833 -7.690 -23.752 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.476 -6.810 -20.865 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.700 -6.937 -22.151 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.494 -5.406 -21.267 1.00 0.00 H new ATOM 265 N CYS A 17 -0.213 -3.652 -24.540 1.00 0.00 N ATOM 266 CA CYS A 17 -1.262 -3.171 -25.433 1.00 0.00 C ATOM 267 C CYS A 17 -0.664 -2.437 -26.628 1.00 0.00 C ATOM 268 O CYS A 17 -1.247 -2.414 -27.712 1.00 0.00 O ATOM 269 CB CYS A 17 -2.219 -2.248 -24.678 1.00 0.00 C ATOM 270 SG CYS A 17 -1.532 -0.618 -24.305 1.00 0.00 S ATOM 0 H CYS A 17 -0.148 -3.148 -23.656 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.816 -4.034 -25.801 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.126 -2.121 -25.269 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.511 -2.730 -23.745 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.234 -0.686 -24.297 1.00 0.00 H new ATOM 276 N LYS A 18 0.504 -1.836 -26.423 1.00 0.00 N ATOM 277 CA LYS A 18 1.182 -1.099 -27.483 1.00 0.00 C ATOM 278 C LYS A 18 1.701 -2.048 -28.559 1.00 0.00 C ATOM 279 O LYS A 18 1.499 -1.819 -29.751 1.00 0.00 O ATOM 280 CB LYS A 18 2.341 -0.285 -26.904 1.00 0.00 C ATOM 281 CG LYS A 18 3.204 0.382 -27.962 1.00 0.00 C ATOM 282 CD LYS A 18 4.201 1.346 -27.342 1.00 0.00 C ATOM 283 CE LYS A 18 5.372 0.607 -26.712 1.00 0.00 C ATOM 284 NZ LYS A 18 6.233 -0.044 -27.737 1.00 0.00 N ATOM 0 H LYS A 18 1.001 -1.845 -25.532 1.00 0.00 H new ATOM 0 HA LYS A 18 0.461 -0.420 -27.939 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.940 0.480 -26.239 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.966 -0.940 -26.297 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.738 -0.380 -28.530 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.568 0.918 -28.667 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.570 2.031 -28.106 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.702 1.951 -26.585 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.970 1.306 -26.126 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.996 -0.148 -26.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.165 -0.254 -27.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.787 -0.929 -28.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.349 0.595 -28.549 1.00 0.00 H new ATOM 298 N SER A 19 2.368 -3.114 -28.129 1.00 0.00 N ATOM 299 CA SER A 19 2.918 -4.096 -29.057 1.00 0.00 C ATOM 300 C SER A 19 1.803 -4.888 -29.733 1.00 0.00 C ATOM 301 O SER A 19 1.815 -5.086 -30.949 1.00 0.00 O ATOM 302 CB SER A 19 3.863 -5.050 -28.322 1.00 0.00 C ATOM 303 OG SER A 19 4.830 -4.333 -27.574 1.00 0.00 O ATOM 0 H SER A 19 2.541 -3.320 -27.145 1.00 0.00 H new ATOM 0 HA SER A 19 3.477 -3.561 -29.825 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.289 -5.695 -27.657 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.363 -5.698 -29.042 1.00 0.00 H new ATOM 0 HG SER A 19 4.406 -3.942 -26.782 1.00 0.00 H new ATOM 309 N LEU A 20 0.840 -5.339 -28.937 1.00 0.00 N ATOM 310 CA LEU A 20 -0.284 -6.110 -29.458 1.00 0.00 C ATOM 311 C LEU A 20 -1.100 -5.283 -30.446 1.00 0.00 C ATOM 312 O LEU A 20 -1.497 -5.774 -31.503 1.00 0.00 O ATOM 313 CB LEU A 20 -1.179 -6.583 -28.310 1.00 0.00 C ATOM 314 CG LEU A 20 -0.704 -7.826 -27.558 1.00 0.00 C ATOM 315 CD1 LEU A 20 -1.479 -7.993 -26.260 1.00 0.00 C ATOM 316 CD2 LEU A 20 -0.849 -9.065 -28.430 1.00 0.00 C ATOM 0 H LEU A 20 0.815 -5.184 -27.929 1.00 0.00 H new ATOM 0 HA LEU A 20 0.115 -6.979 -29.982 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.280 -5.767 -27.595 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.173 -6.782 -28.709 1.00 0.00 H new ATOM 0 HG LEU A 20 0.351 -7.699 -27.314 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.127 -8.883 -25.738 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.325 -7.118 -25.629 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.541 -8.098 -26.481 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.506 -9.940 -27.878 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.896 -9.196 -28.705 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.249 -8.947 -29.332 1.00 0.00 H new ATOM 328 N GLY A 21 -1.345 -4.024 -30.097 1.00 0.00 N ATOM 329 CA GLY A 21 -2.111 -3.149 -30.965 1.00 0.00 C ATOM 330 C GLY A 21 -1.339 -2.743 -32.205 1.00 0.00 C ATOM 331 O GLY A 21 -1.923 -2.537 -33.269 1.00 0.00 O ATOM 0 H GLY A 21 -1.027 -3.594 -29.228 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.031 -3.652 -31.262 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.400 -2.255 -30.412 1.00 0.00 H new ATOM 335 N LYS A 22 -0.023 -2.625 -32.068 1.00 0.00 N ATOM 336 CA LYS A 22 0.831 -2.240 -33.186 1.00 0.00 C ATOM 337 C LYS A 22 0.863 -3.334 -34.249 1.00 0.00 C ATOM 338 O LYS A 22 0.716 -3.061 -35.440 1.00 0.00 O ATOM 339 CB LYS A 22 2.251 -1.952 -32.693 1.00 0.00 C ATOM 340 CG LYS A 22 2.462 -0.514 -32.252 1.00 0.00 C ATOM 341 CD LYS A 22 3.836 -0.317 -31.633 1.00 0.00 C ATOM 342 CE LYS A 22 4.933 -0.362 -32.685 1.00 0.00 C ATOM 343 NZ LYS A 22 6.238 -0.786 -32.108 1.00 0.00 N ATOM 0 H LYS A 22 0.476 -2.790 -31.194 1.00 0.00 H new ATOM 0 HA LYS A 22 0.417 -1.336 -33.633 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.479 -2.616 -31.859 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.958 -2.186 -33.489 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.349 0.151 -33.109 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.694 -0.237 -31.530 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.868 0.641 -31.113 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.014 -1.091 -30.887 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.646 -1.051 -33.479 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.040 0.623 -33.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.959 -0.804 -32.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.525 -0.115 -31.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.143 -1.736 -31.696 1.00 0.00 H new ATOM 357 N VAL A 23 1.053 -4.574 -33.810 1.00 0.00 N ATOM 358 CA VAL A 23 1.101 -5.710 -34.723 1.00 0.00 C ATOM 359 C VAL A 23 -0.267 -5.975 -35.342 1.00 0.00 C ATOM 360 O VAL A 23 -0.373 -6.292 -36.527 1.00 0.00 O ATOM 361 CB VAL A 23 1.584 -6.986 -34.008 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.019 -6.820 -33.532 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.664 -7.325 -32.845 1.00 0.00 C ATOM 0 H VAL A 23 1.176 -4.818 -32.827 1.00 0.00 H new ATOM 0 HA VAL A 23 1.810 -5.453 -35.510 1.00 0.00 H new ATOM 0 HB VAL A 23 1.555 -7.813 -34.718 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.343 -7.731 -33.029 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.666 -6.628 -34.388 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.077 -5.982 -32.837 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.020 -8.229 -32.351 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.659 -6.500 -32.132 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.347 -7.489 -33.217 1.00 0.00 H new ATOM 373 N PHE A 24 -1.312 -5.842 -34.533 1.00 0.00 N ATOM 374 CA PHE A 24 -2.675 -6.068 -35.001 1.00 0.00 C ATOM 375 C PHE A 24 -3.043 -5.077 -36.102 1.00 0.00 C ATOM 376 O PHE A 24 -3.968 -5.311 -36.879 1.00 0.00 O ATOM 377 CB PHE A 24 -3.663 -5.946 -33.839 1.00 0.00 C ATOM 378 CG PHE A 24 -4.150 -7.270 -33.325 1.00 0.00 C ATOM 379 CD1 PHE A 24 -4.786 -8.165 -34.170 1.00 0.00 C ATOM 380 CD2 PHE A 24 -3.972 -7.621 -31.996 1.00 0.00 C ATOM 381 CE1 PHE A 24 -5.236 -9.384 -33.699 1.00 0.00 C ATOM 382 CE2 PHE A 24 -4.419 -8.838 -31.520 1.00 0.00 C ATOM 383 CZ PHE A 24 -5.051 -9.722 -32.373 1.00 0.00 C ATOM 0 H PHE A 24 -1.242 -5.579 -33.550 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.729 -7.077 -35.411 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.187 -5.402 -33.023 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.519 -5.353 -34.161 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.932 -7.907 -35.209 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.478 -6.935 -31.325 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.732 -10.072 -34.368 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.275 -9.098 -30.482 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.400 -10.675 -32.004 1.00 0.00 H new ATOM 393 N GLY A 25 -2.311 -3.969 -36.161 1.00 0.00 N ATOM 394 CA GLY A 25 -2.575 -2.958 -37.169 1.00 0.00 C ATOM 395 C GLY A 25 -3.482 -1.855 -36.661 1.00 0.00 C ATOM 396 O GLY A 25 -4.325 -1.345 -37.398 1.00 0.00 O ATOM 0 H GLY A 25 -1.540 -3.753 -35.529 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.631 -2.524 -37.500 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.032 -3.428 -38.039 1.00 0.00 H new ATOM 400 N VAL A 26 -3.310 -1.486 -35.395 1.00 0.00 N ATOM 401 CA VAL A 26 -4.119 -0.436 -34.788 1.00 0.00 C ATOM 402 C VAL A 26 -3.327 0.329 -33.734 1.00 0.00 C ATOM 403 O VAL A 26 -2.128 0.108 -33.561 1.00 0.00 O ATOM 404 CB VAL A 26 -5.392 -1.013 -34.140 1.00 0.00 C ATOM 405 CG1 VAL A 26 -6.200 -1.802 -35.159 1.00 0.00 C ATOM 406 CG2 VAL A 26 -5.033 -1.882 -32.944 1.00 0.00 C ATOM 0 H VAL A 26 -2.618 -1.899 -34.770 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.405 0.246 -35.589 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.007 -0.185 -33.788 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.095 -2.202 -34.683 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.488 -1.147 -35.981 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.596 -2.624 -35.544 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.944 -2.282 -32.498 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.397 -2.705 -33.270 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.500 -1.283 -32.206 1.00 0.00 H new ATOM 416 N HIS A 27 -4.005 1.230 -33.030 1.00 0.00 N ATOM 417 CA HIS A 27 -3.365 2.028 -31.991 1.00 0.00 C ATOM 418 C HIS A 27 -3.794 1.559 -30.604 1.00 0.00 C ATOM 419 O HIS A 27 -4.928 1.119 -30.410 1.00 0.00 O ATOM 420 CB HIS A 27 -3.707 3.507 -32.171 1.00 0.00 C ATOM 421 CG HIS A 27 -3.086 4.122 -33.388 1.00 0.00 C ATOM 422 ND1 HIS A 27 -3.825 4.698 -34.399 1.00 0.00 N ATOM 423 CD2 HIS A 27 -1.789 4.249 -33.752 1.00 0.00 C ATOM 424 CE1 HIS A 27 -3.009 5.152 -35.334 1.00 0.00 C ATOM 425 NE2 HIS A 27 -1.767 4.892 -34.965 1.00 0.00 N ATOM 0 H HIS A 27 -4.998 1.426 -33.160 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.286 1.899 -32.081 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.790 3.616 -32.231 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.380 4.057 -31.289 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.931 3.908 -33.192 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.306 5.651 -36.245 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.929 5.130 -35.495 1.00 0.00 H new ATOM 433 N TYR A 28 -2.882 1.656 -29.643 1.00 0.00 N ATOM 434 CA TYR A 28 -3.166 1.240 -28.275 1.00 0.00 C ATOM 435 C TYR A 28 -4.379 1.980 -27.720 1.00 0.00 C ATOM 436 O TYR A 28 -5.137 1.439 -26.915 1.00 0.00 O ATOM 437 CB TYR A 28 -1.950 1.488 -27.382 1.00 0.00 C ATOM 438 CG TYR A 28 -1.533 2.940 -27.315 1.00 0.00 C ATOM 439 CD1 TYR A 28 -0.646 3.472 -28.243 1.00 0.00 C ATOM 440 CD2 TYR A 28 -2.027 3.781 -26.325 1.00 0.00 C ATOM 441 CE1 TYR A 28 -0.262 4.798 -28.186 1.00 0.00 C ATOM 442 CE2 TYR A 28 -1.650 5.108 -26.262 1.00 0.00 C ATOM 443 CZ TYR A 28 -0.767 5.612 -27.194 1.00 0.00 C ATOM 444 OH TYR A 28 -0.388 6.933 -27.133 1.00 0.00 O ATOM 0 H TYR A 28 -1.940 2.019 -29.786 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.389 0.173 -28.286 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.172 1.136 -26.375 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.113 0.895 -27.750 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.250 2.838 -29.022 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.718 3.390 -25.592 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.430 5.195 -28.914 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.045 5.748 -25.487 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.835 7.367 -26.376 1.00 0.00 H new ATOM 454 N PHE A 29 -4.556 3.223 -28.157 1.00 0.00 N ATOM 455 CA PHE A 29 -5.676 4.040 -27.705 1.00 0.00 C ATOM 456 C PHE A 29 -6.994 3.513 -28.265 1.00 0.00 C ATOM 457 O PHE A 29 -8.061 3.755 -27.701 1.00 0.00 O ATOM 458 CB PHE A 29 -5.475 5.497 -28.128 1.00 0.00 C ATOM 459 CG PHE A 29 -6.062 6.487 -27.163 1.00 0.00 C ATOM 460 CD1 PHE A 29 -5.433 6.755 -25.958 1.00 0.00 C ATOM 461 CD2 PHE A 29 -7.241 7.150 -27.462 1.00 0.00 C ATOM 462 CE1 PHE A 29 -5.970 7.666 -25.068 1.00 0.00 C ATOM 463 CE2 PHE A 29 -7.782 8.062 -26.576 1.00 0.00 C ATOM 464 CZ PHE A 29 -7.146 8.320 -25.377 1.00 0.00 C ATOM 0 H PHE A 29 -3.938 3.686 -28.823 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.717 3.987 -26.617 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.408 5.693 -28.233 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.925 5.648 -29.109 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.513 6.246 -25.711 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.743 6.952 -28.398 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.470 7.866 -24.132 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.702 8.573 -26.821 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.568 9.032 -24.683 1.00 0.00 H new ATOM 474 N ASN A 30 -6.911 2.791 -29.377 1.00 0.00 N ATOM 475 CA ASN A 30 -8.097 2.230 -30.015 1.00 0.00 C ATOM 476 C ASN A 30 -8.554 0.964 -29.296 1.00 0.00 C ATOM 477 O ASN A 30 -9.749 0.750 -29.093 1.00 0.00 O ATOM 478 CB ASN A 30 -7.813 1.921 -31.486 1.00 0.00 C ATOM 479 CG ASN A 30 -7.550 3.173 -32.299 1.00 0.00 C ATOM 480 OD1 ASN A 30 -7.109 4.192 -31.767 1.00 0.00 O ATOM 481 ND2 ASN A 30 -7.821 3.103 -33.598 1.00 0.00 N ATOM 0 H ASN A 30 -6.035 2.580 -29.855 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.896 2.969 -29.954 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.950 1.258 -31.555 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.661 1.386 -31.912 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.665 3.914 -34.196 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.185 2.238 -33.997 1.00 0.00 H new ATOM 488 N ILE A 31 -7.593 0.128 -28.914 1.00 0.00 N ATOM 489 CA ILE A 31 -7.896 -1.115 -28.217 1.00 0.00 C ATOM 490 C ILE A 31 -8.272 -0.853 -26.763 1.00 0.00 C ATOM 491 O ILE A 31 -9.112 -1.549 -26.192 1.00 0.00 O ATOM 492 CB ILE A 31 -6.704 -2.089 -28.259 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.473 -1.452 -27.611 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.403 -2.496 -29.694 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.248 -2.339 -27.639 1.00 0.00 C ATOM 0 H ILE A 31 -6.599 0.290 -29.076 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.743 -1.567 -28.733 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.966 -2.984 -27.695 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.246 -0.517 -28.123 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.706 -1.201 -26.576 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.558 -3.185 -29.707 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.277 -2.985 -30.124 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.158 -1.610 -30.280 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.414 -1.823 -27.163 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.456 -3.264 -27.102 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.989 -2.570 -28.672 1.00 0.00 H new ATOM 507 N PHE A 32 -7.647 0.158 -26.169 1.00 0.00 N ATOM 508 CA PHE A 32 -7.916 0.514 -24.780 1.00 0.00 C ATOM 509 C PHE A 32 -7.703 2.007 -24.551 1.00 0.00 C ATOM 510 O PHE A 32 -6.825 2.620 -25.157 1.00 0.00 O ATOM 511 CB PHE A 32 -7.016 -0.292 -23.841 1.00 0.00 C ATOM 512 CG PHE A 32 -7.424 -1.731 -23.708 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.704 -2.066 -23.296 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.528 -2.748 -23.993 1.00 0.00 C ATOM 515 CE1 PHE A 32 -9.083 -3.390 -23.173 1.00 0.00 C ATOM 516 CE2 PHE A 32 -6.902 -4.073 -23.872 1.00 0.00 C ATOM 517 CZ PHE A 32 -8.180 -4.395 -23.460 1.00 0.00 C ATOM 0 H PHE A 32 -6.951 0.746 -26.628 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.958 0.276 -24.565 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.990 -0.246 -24.206 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.025 0.172 -22.855 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.413 -1.284 -23.068 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.526 -2.503 -24.313 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.084 -3.638 -22.853 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.195 -4.857 -24.100 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.473 -5.430 -23.362 1.00 0.00 H new ATOM 527 N ASN A 33 -8.513 2.586 -23.670 1.00 0.00 N ATOM 528 CA ASN A 33 -8.414 4.008 -23.360 1.00 0.00 C ATOM 529 C ASN A 33 -7.884 4.221 -21.946 1.00 0.00 C ATOM 530 O ASN A 33 -7.817 3.285 -21.148 1.00 0.00 O ATOM 531 CB ASN A 33 -9.781 4.680 -23.511 1.00 0.00 C ATOM 532 CG ASN A 33 -10.564 4.138 -24.691 1.00 0.00 C ATOM 533 OD1 ASN A 33 -11.398 3.245 -24.540 1.00 0.00 O ATOM 534 ND2 ASN A 33 -10.299 4.679 -25.875 1.00 0.00 N ATOM 0 H ASN A 33 -9.245 2.093 -23.159 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.714 4.460 -24.063 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.358 4.534 -22.598 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.643 5.754 -23.632 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.795 4.356 -26.706 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.599 5.417 -25.953 1.00 0.00 H new ATOM 541 N THR A 34 -7.507 5.459 -21.641 1.00 0.00 N ATOM 542 CA THR A 34 -6.981 5.796 -20.324 1.00 0.00 C ATOM 543 C THR A 34 -7.916 5.315 -19.220 1.00 0.00 C ATOM 544 O THR A 34 -7.471 4.762 -18.214 1.00 0.00 O ATOM 545 CB THR A 34 -6.768 7.314 -20.176 1.00 0.00 C ATOM 546 OG1 THR A 34 -7.753 8.023 -20.936 1.00 0.00 O ATOM 547 CG2 THR A 34 -5.376 7.713 -20.641 1.00 0.00 C ATOM 0 H THR A 34 -7.556 6.245 -22.289 1.00 0.00 H new ATOM 0 HA THR A 34 -6.020 5.291 -20.228 1.00 0.00 H new ATOM 0 HB THR A 34 -6.869 7.572 -19.122 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.612 8.988 -20.835 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.249 8.790 -20.527 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.629 7.194 -20.040 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.251 7.442 -21.689 1.00 0.00 H new ATOM 555 N VAL A 35 -9.213 5.528 -19.415 1.00 0.00 N ATOM 556 CA VAL A 35 -10.211 5.114 -18.436 1.00 0.00 C ATOM 557 C VAL A 35 -10.176 3.606 -18.219 1.00 0.00 C ATOM 558 O VAL A 35 -10.146 3.130 -17.083 1.00 0.00 O ATOM 559 CB VAL A 35 -11.630 5.526 -18.872 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.654 5.102 -17.830 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.697 7.026 -19.117 1.00 0.00 C ATOM 0 H VAL A 35 -9.597 5.985 -20.242 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.965 5.618 -17.501 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.866 5.017 -19.806 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.650 5.402 -18.156 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.622 4.019 -17.708 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.424 5.581 -16.878 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.706 7.300 -19.424 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.440 7.556 -18.200 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.992 7.298 -19.903 1.00 0.00 H new ATOM 571 N THR A 36 -10.179 2.855 -19.316 1.00 0.00 N ATOM 572 CA THR A 36 -10.148 1.400 -19.247 1.00 0.00 C ATOM 573 C THR A 36 -8.937 0.913 -18.459 1.00 0.00 C ATOM 574 O THR A 36 -9.066 0.099 -17.544 1.00 0.00 O ATOM 575 CB THR A 36 -10.119 0.771 -20.653 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.144 1.348 -21.469 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.314 -0.736 -20.576 1.00 0.00 C ATOM 0 H THR A 36 -10.203 3.231 -20.264 1.00 0.00 H new ATOM 0 HA THR A 36 -11.059 1.088 -18.737 1.00 0.00 H new ATOM 0 HB THR A 36 -9.144 0.973 -21.097 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.993 0.887 -21.303 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.290 -1.158 -21.581 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.516 -1.176 -19.978 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.276 -0.955 -20.114 1.00 0.00 H new ATOM 585 N LEU A 37 -7.762 1.415 -18.820 1.00 0.00 N ATOM 586 CA LEU A 37 -6.526 1.031 -18.146 1.00 0.00 C ATOM 587 C LEU A 37 -6.604 1.335 -16.653 1.00 0.00 C ATOM 588 O LEU A 37 -6.222 0.512 -15.820 1.00 0.00 O ATOM 589 CB LEU A 37 -5.335 1.764 -18.766 1.00 0.00 C ATOM 590 CG LEU A 37 -5.207 1.670 -20.286 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.400 2.840 -20.827 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.568 0.349 -20.687 1.00 0.00 C ATOM 0 H LEU A 37 -7.638 2.089 -19.576 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.390 -0.043 -18.273 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.399 2.817 -18.491 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.421 1.373 -18.320 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.207 1.713 -20.719 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.319 2.756 -21.911 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.899 3.775 -20.571 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.403 2.829 -20.387 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.485 0.300 -21.773 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.575 0.276 -20.243 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.186 -0.476 -20.333 1.00 0.00 H new ATOM 604 N LYS A 38 -7.103 2.520 -16.320 1.00 0.00 N ATOM 605 CA LYS A 38 -7.235 2.932 -14.928 1.00 0.00 C ATOM 606 C LYS A 38 -8.120 1.961 -14.155 1.00 0.00 C ATOM 607 O LYS A 38 -7.833 1.622 -13.006 1.00 0.00 O ATOM 608 CB LYS A 38 -7.816 4.345 -14.846 1.00 0.00 C ATOM 609 CG LYS A 38 -7.628 5.003 -13.489 1.00 0.00 C ATOM 610 CD LYS A 38 -7.822 6.508 -13.567 1.00 0.00 C ATOM 611 CE LYS A 38 -9.294 6.874 -13.679 1.00 0.00 C ATOM 612 NZ LYS A 38 -9.506 8.347 -13.608 1.00 0.00 N ATOM 0 H LYS A 38 -7.423 3.213 -16.996 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.242 2.928 -14.478 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.348 4.966 -15.610 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.881 4.305 -15.077 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.337 4.580 -12.777 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.629 4.783 -13.112 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.395 6.978 -12.681 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.281 6.902 -14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.692 6.495 -14.620 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.851 6.388 -12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.522 8.556 -13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.149 8.706 -12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.995 8.809 -14.387 1.00 0.00 H new ATOM 626 N LYS A 39 -9.198 1.514 -14.792 1.00 0.00 N ATOM 627 CA LYS A 39 -10.125 0.579 -14.165 1.00 0.00 C ATOM 628 C LYS A 39 -9.442 -0.755 -13.880 1.00 0.00 C ATOM 629 O LYS A 39 -9.573 -1.309 -12.788 1.00 0.00 O ATOM 630 CB LYS A 39 -11.344 0.358 -15.064 1.00 0.00 C ATOM 631 CG LYS A 39 -12.209 1.595 -15.230 1.00 0.00 C ATOM 632 CD LYS A 39 -13.688 1.254 -15.167 1.00 0.00 C ATOM 633 CE LYS A 39 -14.474 2.318 -14.416 1.00 0.00 C ATOM 634 NZ LYS A 39 -14.506 2.052 -12.951 1.00 0.00 N ATOM 0 H LYS A 39 -9.451 1.785 -15.742 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.452 1.009 -13.219 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.006 0.027 -16.046 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.951 -0.446 -14.648 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.967 2.316 -14.449 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.985 2.071 -16.184 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.083 1.154 -16.178 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.819 0.289 -14.677 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.028 3.296 -14.598 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.493 2.356 -14.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.051 2.799 -12.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.955 1.130 -12.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.535 2.041 -12.579 1.00 0.00 H new ATOM 648 N LEU A 40 -8.713 -1.264 -14.866 1.00 0.00 N ATOM 649 CA LEU A 40 -8.008 -2.533 -14.720 1.00 0.00 C ATOM 650 C LEU A 40 -7.034 -2.483 -13.547 1.00 0.00 C ATOM 651 O LEU A 40 -7.048 -3.355 -12.679 1.00 0.00 O ATOM 652 CB LEU A 40 -7.255 -2.871 -16.008 1.00 0.00 C ATOM 653 CG LEU A 40 -8.113 -3.039 -17.263 1.00 0.00 C ATOM 654 CD1 LEU A 40 -7.276 -3.576 -18.414 1.00 0.00 C ATOM 655 CD2 LEU A 40 -9.291 -3.960 -16.983 1.00 0.00 C ATOM 0 H LEU A 40 -8.594 -0.818 -15.776 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.746 -3.310 -14.523 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.524 -2.085 -16.195 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.697 -3.793 -15.848 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.501 -2.061 -17.549 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.903 -3.689 -19.298 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.466 -2.880 -18.630 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.858 -4.545 -18.139 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.891 -4.068 -17.887 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.923 -4.938 -16.672 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.905 -3.535 -16.189 1.00 0.00 H new ATOM 667 N ALA A 41 -6.192 -1.455 -13.526 1.00 0.00 N ATOM 668 CA ALA A 41 -5.215 -1.289 -12.458 1.00 0.00 C ATOM 669 C ALA A 41 -5.903 -1.106 -11.109 1.00 0.00 C ATOM 670 O ALA A 41 -5.432 -1.609 -10.089 1.00 0.00 O ATOM 671 CB ALA A 41 -4.306 -0.105 -12.753 1.00 0.00 C ATOM 0 H ALA A 41 -6.167 -0.724 -14.237 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.610 -2.194 -12.409 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.581 0.007 -11.947 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.780 -0.275 -13.693 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.905 0.803 -12.831 1.00 0.00 H new ATOM 677 N GLU A 42 -7.018 -0.383 -11.111 1.00 0.00 N ATOM 678 CA GLU A 42 -7.769 -0.134 -9.886 1.00 0.00 C ATOM 679 C GLU A 42 -8.257 -1.442 -9.272 1.00 0.00 C ATOM 680 O GLU A 42 -8.106 -1.671 -8.072 1.00 0.00 O ATOM 681 CB GLU A 42 -8.960 0.785 -10.170 1.00 0.00 C ATOM 682 CG GLU A 42 -8.647 2.261 -9.988 1.00 0.00 C ATOM 683 CD GLU A 42 -9.871 3.141 -10.151 1.00 0.00 C ATOM 684 OE1 GLU A 42 -10.999 2.611 -10.067 1.00 0.00 O ATOM 685 OE2 GLU A 42 -9.700 4.360 -10.362 1.00 0.00 O ATOM 0 H GLU A 42 -7.421 0.041 -11.947 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.103 0.355 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.302 0.618 -11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.784 0.513 -9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.220 2.419 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.890 2.560 -10.713 1.00 0.00 H new ATOM 692 N SER A 43 -8.844 -2.297 -10.103 1.00 0.00 N ATOM 693 CA SER A 43 -9.359 -3.581 -9.642 1.00 0.00 C ATOM 694 C SER A 43 -8.217 -4.536 -9.307 1.00 0.00 C ATOM 695 O SER A 43 -8.189 -5.137 -8.232 1.00 0.00 O ATOM 696 CB SER A 43 -10.264 -4.204 -10.706 1.00 0.00 C ATOM 697 OG SER A 43 -11.137 -5.163 -10.135 1.00 0.00 O ATOM 0 H SER A 43 -8.975 -2.124 -11.100 1.00 0.00 H new ATOM 0 HA SER A 43 -9.941 -3.407 -8.737 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.846 -3.423 -11.195 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.654 -4.676 -11.476 1.00 0.00 H new ATOM 0 HG SER A 43 -11.706 -5.545 -10.835 1.00 0.00 H new ATOM 703 N LEU A 44 -7.276 -4.670 -10.235 1.00 0.00 N ATOM 704 CA LEU A 44 -6.130 -5.552 -10.040 1.00 0.00 C ATOM 705 C LEU A 44 -6.581 -6.947 -9.619 1.00 0.00 C ATOM 706 O LEU A 44 -5.960 -7.579 -8.765 1.00 0.00 O ATOM 707 CB LEU A 44 -5.186 -4.969 -8.986 1.00 0.00 C ATOM 708 CG LEU A 44 -3.698 -4.980 -9.338 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.453 -4.243 -10.646 1.00 0.00 C ATOM 710 CD2 LEU A 44 -2.880 -4.360 -8.214 1.00 0.00 C ATOM 0 H LEU A 44 -7.284 -4.180 -11.129 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.600 -5.633 -10.989 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.485 -3.939 -8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.323 -5.523 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.382 -6.016 -9.463 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.389 -4.261 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.009 -4.729 -11.447 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.785 -3.209 -10.549 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.823 -4.376 -8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.199 -3.330 -8.057 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.031 -4.930 -7.297 1.00 0.00 H new ATOM 722 N SER A 45 -7.664 -7.421 -10.226 1.00 0.00 N ATOM 723 CA SER A 45 -8.199 -8.741 -9.914 1.00 0.00 C ATOM 724 C SER A 45 -8.358 -9.577 -11.180 1.00 0.00 C ATOM 725 O SER A 45 -8.851 -9.093 -12.199 1.00 0.00 O ATOM 726 CB SER A 45 -9.547 -8.612 -9.202 1.00 0.00 C ATOM 727 OG SER A 45 -9.657 -9.549 -8.144 1.00 0.00 O ATOM 0 H SER A 45 -8.188 -6.911 -10.937 1.00 0.00 H new ATOM 0 HA SER A 45 -7.493 -9.245 -9.254 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.659 -7.601 -8.810 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.355 -8.769 -9.916 1.00 0.00 H new ATOM 0 HG SER A 45 -10.526 -9.445 -7.704 1.00 0.00 H new ATOM 733 N SER A 46 -7.935 -10.835 -11.108 1.00 0.00 N ATOM 734 CA SER A 46 -8.025 -11.738 -12.249 1.00 0.00 C ATOM 735 C SER A 46 -9.482 -11.999 -12.621 1.00 0.00 C ATOM 736 O SER A 46 -9.797 -12.287 -13.776 1.00 0.00 O ATOM 737 CB SER A 46 -7.322 -13.061 -11.936 1.00 0.00 C ATOM 738 OG SER A 46 -6.700 -13.019 -10.664 1.00 0.00 O ATOM 0 H SER A 46 -7.527 -11.252 -10.271 1.00 0.00 H new ATOM 0 HA SER A 46 -7.531 -11.264 -13.097 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.045 -13.876 -11.964 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.576 -13.270 -12.703 1.00 0.00 H new ATOM 0 HG SER A 46 -6.959 -13.810 -10.147 1.00 0.00 H new ATOM 744 N ASP A 47 -10.365 -11.896 -11.635 1.00 0.00 N ATOM 745 CA ASP A 47 -11.789 -12.119 -11.857 1.00 0.00 C ATOM 746 C ASP A 47 -12.268 -11.378 -13.101 1.00 0.00 C ATOM 747 O ASP A 47 -12.413 -10.155 -13.108 1.00 0.00 O ATOM 748 CB ASP A 47 -12.594 -11.668 -10.638 1.00 0.00 C ATOM 749 CG ASP A 47 -12.751 -12.769 -9.607 1.00 0.00 C ATOM 750 OD1 ASP A 47 -13.002 -13.925 -10.007 1.00 0.00 O ATOM 751 OD2 ASP A 47 -12.620 -12.475 -8.401 1.00 0.00 O ATOM 0 H ASP A 47 -10.120 -11.659 -10.673 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.944 -13.187 -12.010 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.102 -10.811 -10.178 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.580 -11.334 -10.961 1.00 0.00 H new ATOM 756 N PRO A 48 -12.517 -12.133 -14.181 1.00 0.00 N ATOM 757 CA PRO A 48 -12.983 -11.568 -15.452 1.00 0.00 C ATOM 758 C PRO A 48 -14.413 -11.046 -15.365 1.00 0.00 C ATOM 759 O PRO A 48 -14.906 -10.405 -16.292 1.00 0.00 O ATOM 760 CB PRO A 48 -12.904 -12.754 -16.417 1.00 0.00 C ATOM 761 CG PRO A 48 -13.024 -13.958 -15.548 1.00 0.00 C ATOM 762 CD PRO A 48 -12.365 -13.596 -14.245 1.00 0.00 C ATOM 0 HA PRO A 48 -12.386 -10.710 -15.760 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.705 -12.717 -17.156 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.963 -12.755 -16.967 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.069 -14.226 -15.395 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.537 -14.819 -16.005 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.848 -14.088 -13.400 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.316 -13.892 -14.229 1.00 0.00 H new ATOM 770 N GLU A 49 -15.073 -11.325 -14.245 1.00 0.00 N ATOM 771 CA GLU A 49 -16.447 -10.884 -14.039 1.00 0.00 C ATOM 772 C GLU A 49 -16.508 -9.372 -13.838 1.00 0.00 C ATOM 773 O GLU A 49 -17.317 -8.684 -14.461 1.00 0.00 O ATOM 774 CB GLU A 49 -17.059 -11.595 -12.830 1.00 0.00 C ATOM 775 CG GLU A 49 -17.386 -13.057 -13.085 1.00 0.00 C ATOM 776 CD GLU A 49 -18.093 -13.709 -11.913 1.00 0.00 C ATOM 777 OE1 GLU A 49 -19.337 -13.616 -11.845 1.00 0.00 O ATOM 778 OE2 GLU A 49 -17.404 -14.314 -11.065 1.00 0.00 O ATOM 0 H GLU A 49 -14.678 -11.854 -13.467 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.021 -11.139 -14.930 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.367 -11.527 -11.991 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.970 -11.074 -12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.014 -13.136 -13.973 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.465 -13.600 -13.297 1.00 0.00 H new ATOM 785 N VAL A 50 -15.647 -8.862 -12.963 1.00 0.00 N ATOM 786 CA VAL A 50 -15.602 -7.433 -12.679 1.00 0.00 C ATOM 787 C VAL A 50 -15.130 -6.645 -13.896 1.00 0.00 C ATOM 788 O VAL A 50 -15.562 -5.514 -14.124 1.00 0.00 O ATOM 789 CB VAL A 50 -14.673 -7.125 -11.490 1.00 0.00 C ATOM 790 CG1 VAL A 50 -15.325 -7.542 -10.181 1.00 0.00 C ATOM 791 CG2 VAL A 50 -13.330 -7.818 -11.671 1.00 0.00 C ATOM 0 H VAL A 50 -14.971 -9.418 -12.439 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.618 -7.130 -12.425 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.500 -6.049 -11.455 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.654 -7.317 -9.352 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -16.259 -6.996 -10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -15.530 -8.612 -10.201 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.686 -7.590 -10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.482 -8.896 -11.732 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.859 -7.465 -12.589 1.00 0.00 H new ATOM 801 N LEU A 51 -14.241 -7.250 -14.677 1.00 0.00 N ATOM 802 CA LEU A 51 -13.709 -6.607 -15.873 1.00 0.00 C ATOM 803 C LEU A 51 -14.794 -6.447 -16.933 1.00 0.00 C ATOM 804 O LEU A 51 -14.830 -5.449 -17.655 1.00 0.00 O ATOM 805 CB LEU A 51 -12.543 -7.420 -16.438 1.00 0.00 C ATOM 806 CG LEU A 51 -11.522 -7.926 -15.419 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.492 -8.819 -16.094 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.842 -6.759 -14.719 1.00 0.00 C ATOM 0 H LEU A 51 -13.874 -8.185 -14.503 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.351 -5.616 -15.594 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.950 -8.279 -16.972 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.021 -6.807 -17.172 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.048 -8.516 -14.669 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.773 -9.170 -15.353 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.993 -9.674 -16.547 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.970 -8.253 -16.866 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.119 -7.139 -13.997 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.329 -6.141 -15.456 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.590 -6.159 -14.201 1.00 0.00 H new ATOM 820 N LEU A 52 -15.678 -7.434 -17.021 1.00 0.00 N ATOM 821 CA LEU A 52 -16.767 -7.403 -17.992 1.00 0.00 C ATOM 822 C LEU A 52 -17.632 -6.161 -17.800 1.00 0.00 C ATOM 823 O LEU A 52 -18.304 -5.713 -18.727 1.00 0.00 O ATOM 824 CB LEU A 52 -17.626 -8.662 -17.865 1.00 0.00 C ATOM 825 CG LEU A 52 -18.629 -8.906 -18.993 1.00 0.00 C ATOM 826 CD1 LEU A 52 -17.907 -9.294 -20.274 1.00 0.00 C ATOM 827 CD2 LEU A 52 -19.627 -9.983 -18.595 1.00 0.00 C ATOM 0 H LEU A 52 -15.663 -8.266 -16.432 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.330 -7.368 -18.990 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -16.963 -9.525 -17.802 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.173 -8.611 -16.924 1.00 0.00 H new ATOM 0 HG LEU A 52 -19.176 -7.981 -19.174 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.637 -9.464 -21.066 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.232 -8.491 -20.569 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.334 -10.206 -20.107 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -20.333 -10.144 -19.410 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -19.096 -10.912 -18.387 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -20.168 -9.666 -17.703 1.00 0.00 H new ATOM 839 N GLN A 53 -17.607 -5.610 -16.590 1.00 0.00 N ATOM 840 CA GLN A 53 -18.388 -4.420 -16.278 1.00 0.00 C ATOM 841 C GLN A 53 -17.672 -3.159 -16.750 1.00 0.00 C ATOM 842 O GLN A 53 -18.295 -2.114 -16.941 1.00 0.00 O ATOM 843 CB GLN A 53 -18.652 -4.337 -14.773 1.00 0.00 C ATOM 844 CG GLN A 53 -17.627 -3.503 -14.021 1.00 0.00 C ATOM 845 CD GLN A 53 -17.443 -3.959 -12.587 1.00 0.00 C ATOM 846 OE1 GLN A 53 -18.321 -4.601 -12.010 1.00 0.00 O ATOM 847 NE2 GLN A 53 -16.296 -3.630 -12.004 1.00 0.00 N ATOM 0 H GLN A 53 -17.055 -5.969 -15.811 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.340 -4.494 -16.804 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -19.643 -3.914 -14.609 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.663 -5.345 -14.358 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -16.670 -3.555 -14.540 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -17.938 -2.458 -14.029 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.596 -3.097 -12.520 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.115 -3.910 -11.040 1.00 0.00 H new ATOM 856 N ILE A 54 -16.361 -3.264 -16.937 1.00 0.00 N ATOM 857 CA ILE A 54 -15.560 -2.133 -17.388 1.00 0.00 C ATOM 858 C ILE A 54 -15.750 -1.885 -18.881 1.00 0.00 C ATOM 859 O ILE A 54 -15.501 -2.767 -19.703 1.00 0.00 O ATOM 860 CB ILE A 54 -14.063 -2.352 -17.102 1.00 0.00 C ATOM 861 CG1 ILE A 54 -13.834 -2.565 -15.604 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.249 -1.170 -17.605 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.431 -3.021 -15.266 1.00 0.00 C ATOM 0 H ILE A 54 -15.831 -4.121 -16.783 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.904 -1.262 -16.830 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.734 -3.246 -17.632 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.042 -1.634 -15.077 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.546 -3.304 -15.237 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.193 -1.340 -17.395 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.393 -1.060 -18.680 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.577 -0.261 -17.101 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.341 -3.152 -14.188 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.226 -3.968 -15.765 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.714 -2.272 -15.602 1.00 0.00 H new ATOM 875 N ASP A 55 -16.191 -0.680 -19.224 1.00 0.00 N ATOM 876 CA ASP A 55 -16.412 -0.315 -20.618 1.00 0.00 C ATOM 877 C ASP A 55 -15.142 -0.516 -21.440 1.00 0.00 C ATOM 878 O ASP A 55 -14.068 -0.044 -21.067 1.00 0.00 O ATOM 879 CB ASP A 55 -16.875 1.139 -20.720 1.00 0.00 C ATOM 880 CG ASP A 55 -18.284 1.336 -20.194 1.00 0.00 C ATOM 881 OD1 ASP A 55 -19.096 0.394 -20.307 1.00 0.00 O ATOM 882 OD2 ASP A 55 -18.573 2.431 -19.669 1.00 0.00 O ATOM 0 H ASP A 55 -16.403 0.061 -18.556 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.190 -0.965 -21.019 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.189 1.776 -20.161 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.831 1.459 -21.761 1.00 0.00 H new ATOM 887 N GLY A 56 -15.273 -1.220 -22.560 1.00 0.00 N ATOM 888 CA GLY A 56 -14.129 -1.472 -23.416 1.00 0.00 C ATOM 889 C GLY A 56 -13.498 -2.826 -23.157 1.00 0.00 C ATOM 890 O GLY A 56 -12.281 -2.982 -23.263 1.00 0.00 O ATOM 0 H GLY A 56 -16.151 -1.620 -22.890 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.440 -1.413 -24.459 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.384 -0.692 -23.261 1.00 0.00 H new ATOM 894 N VAL A 57 -14.326 -3.807 -22.815 1.00 0.00 N ATOM 895 CA VAL A 57 -13.843 -5.155 -22.539 1.00 0.00 C ATOM 896 C VAL A 57 -14.813 -6.206 -23.066 1.00 0.00 C ATOM 897 O VAL A 57 -15.831 -6.498 -22.438 1.00 0.00 O ATOM 898 CB VAL A 57 -13.632 -5.378 -21.030 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.074 -6.768 -20.768 1.00 0.00 C ATOM 900 CG2 VAL A 57 -12.713 -4.309 -20.457 1.00 0.00 C ATOM 0 H VAL A 57 -15.335 -3.694 -22.722 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.887 -5.259 -23.051 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.598 -5.301 -20.531 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.932 -6.907 -19.696 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.773 -7.517 -21.141 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.117 -6.878 -21.278 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.575 -4.482 -19.390 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.747 -4.352 -20.960 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.158 -3.326 -20.611 1.00 0.00 H new ATOM 910 N THR A 58 -14.491 -6.773 -24.225 1.00 0.00 N ATOM 911 CA THR A 58 -15.335 -7.791 -24.838 1.00 0.00 C ATOM 912 C THR A 58 -14.753 -9.185 -24.631 1.00 0.00 C ATOM 913 O THR A 58 -13.610 -9.331 -24.197 1.00 0.00 O ATOM 914 CB THR A 58 -15.511 -7.540 -26.348 1.00 0.00 C ATOM 915 OG1 THR A 58 -15.304 -6.154 -26.641 1.00 0.00 O ATOM 916 CG2 THR A 58 -16.899 -7.960 -26.807 1.00 0.00 C ATOM 0 H THR A 58 -13.652 -6.544 -24.758 1.00 0.00 H new ATOM 0 HA THR A 58 -16.308 -7.730 -24.351 1.00 0.00 H new ATOM 0 HB THR A 58 -14.773 -8.138 -26.883 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.416 -6.003 -27.603 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.001 -7.774 -27.876 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.042 -9.022 -26.609 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.651 -7.385 -26.266 1.00 0.00 H new ATOM 924 N GLU A 59 -15.546 -10.205 -24.944 1.00 0.00 N ATOM 925 CA GLU A 59 -15.107 -11.587 -24.791 1.00 0.00 C ATOM 926 C GLU A 59 -13.849 -11.853 -25.613 1.00 0.00 C ATOM 927 O GLU A 59 -12.892 -12.454 -25.125 1.00 0.00 O ATOM 928 CB GLU A 59 -16.220 -12.548 -25.215 1.00 0.00 C ATOM 929 CG GLU A 59 -15.894 -14.009 -24.955 1.00 0.00 C ATOM 930 CD GLU A 59 -16.633 -14.947 -25.889 1.00 0.00 C ATOM 931 OE1 GLU A 59 -16.441 -14.833 -27.118 1.00 0.00 O ATOM 932 OE2 GLU A 59 -17.404 -15.794 -25.392 1.00 0.00 O ATOM 0 H GLU A 59 -16.494 -10.101 -25.305 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.874 -11.753 -23.739 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.135 -12.288 -24.683 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.420 -12.413 -26.278 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.821 -14.163 -25.066 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.147 -14.256 -23.924 1.00 0.00 H new ATOM 939 N ASP A 60 -13.860 -11.402 -26.862 1.00 0.00 N ATOM 940 CA ASP A 60 -12.721 -11.590 -27.753 1.00 0.00 C ATOM 941 C ASP A 60 -11.522 -10.773 -27.281 1.00 0.00 C ATOM 942 O ASP A 60 -10.387 -11.251 -27.296 1.00 0.00 O ATOM 943 CB ASP A 60 -13.093 -11.193 -29.182 1.00 0.00 C ATOM 944 CG ASP A 60 -14.049 -12.178 -29.826 1.00 0.00 C ATOM 945 OD1 ASP A 60 -15.216 -12.244 -29.386 1.00 0.00 O ATOM 946 OD2 ASP A 60 -13.631 -12.882 -30.769 1.00 0.00 O ATOM 0 H ASP A 60 -14.645 -10.903 -27.281 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.449 -12.645 -27.737 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.547 -10.202 -29.174 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.187 -11.124 -29.784 1.00 0.00 H new ATOM 951 N LYS A 61 -11.780 -9.539 -26.864 1.00 0.00 N ATOM 952 CA LYS A 61 -10.723 -8.654 -26.387 1.00 0.00 C ATOM 953 C LYS A 61 -10.045 -9.234 -25.150 1.00 0.00 C ATOM 954 O LYS A 61 -8.819 -9.335 -25.091 1.00 0.00 O ATOM 955 CB LYS A 61 -11.293 -7.271 -26.067 1.00 0.00 C ATOM 956 CG LYS A 61 -12.025 -6.630 -27.234 1.00 0.00 C ATOM 957 CD LYS A 61 -12.367 -5.177 -26.948 1.00 0.00 C ATOM 958 CE LYS A 61 -11.469 -4.229 -27.728 1.00 0.00 C ATOM 959 NZ LYS A 61 -11.652 -4.375 -29.198 1.00 0.00 N ATOM 0 H LYS A 61 -12.713 -9.128 -26.846 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.979 -8.560 -27.178 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.977 -7.356 -25.222 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.480 -6.616 -25.755 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.406 -6.690 -28.130 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.939 -7.186 -27.441 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.409 -4.989 -27.208 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.265 -4.981 -25.881 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.685 -3.201 -27.436 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.427 -4.422 -27.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.448 -3.468 -29.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.003 -5.104 -29.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.633 -4.655 -29.400 1.00 0.00 H new ATOM 973 N LEU A 62 -10.850 -9.616 -24.164 1.00 0.00 N ATOM 974 CA LEU A 62 -10.327 -10.189 -22.928 1.00 0.00 C ATOM 975 C LEU A 62 -9.722 -11.566 -23.179 1.00 0.00 C ATOM 976 O LEU A 62 -8.837 -12.008 -22.447 1.00 0.00 O ATOM 977 CB LEU A 62 -11.438 -10.290 -21.881 1.00 0.00 C ATOM 978 CG LEU A 62 -12.568 -11.271 -22.194 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.192 -12.677 -21.754 1.00 0.00 C ATOM 980 CD2 LEU A 62 -13.860 -10.828 -21.523 1.00 0.00 C ATOM 0 H LEU A 62 -11.867 -9.539 -24.196 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.542 -9.531 -22.555 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.989 -10.576 -20.930 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.871 -9.299 -21.744 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.726 -11.280 -23.272 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.009 -13.361 -21.985 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.292 -12.995 -22.281 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.005 -12.684 -20.680 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.653 -11.538 -21.757 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.714 -10.789 -20.443 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.139 -9.839 -21.888 1.00 0.00 H new ATOM 992 N GLU A 63 -10.204 -12.238 -24.220 1.00 0.00 N ATOM 993 CA GLU A 63 -9.709 -13.565 -24.567 1.00 0.00 C ATOM 994 C GLU A 63 -8.325 -13.479 -25.206 1.00 0.00 C ATOM 995 O GLU A 63 -7.494 -14.371 -25.035 1.00 0.00 O ATOM 996 CB GLU A 63 -10.681 -14.262 -25.522 1.00 0.00 C ATOM 997 CG GLU A 63 -11.748 -15.080 -24.814 1.00 0.00 C ATOM 998 CD GLU A 63 -12.735 -15.710 -25.777 1.00 0.00 C ATOM 999 OE1 GLU A 63 -12.535 -15.579 -27.002 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -13.708 -16.334 -25.304 1.00 0.00 O ATOM 0 H GLU A 63 -10.936 -11.886 -24.837 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.631 -14.148 -23.649 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.165 -13.511 -26.146 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.117 -14.915 -26.188 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.269 -15.863 -24.226 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.286 -14.440 -24.115 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.086 -12.399 -25.942 1.00 0.00 N ATOM 1008 CA LYS A 64 -6.805 -12.194 -26.607 1.00 0.00 C ATOM 1009 C LYS A 64 -5.825 -11.471 -25.688 1.00 0.00 C ATOM 1010 O LYS A 64 -4.700 -11.926 -25.482 1.00 0.00 O ATOM 1011 CB LYS A 64 -6.998 -11.393 -27.896 1.00 0.00 C ATOM 1012 CG LYS A 64 -7.640 -12.191 -29.017 1.00 0.00 C ATOM 1013 CD LYS A 64 -8.675 -11.368 -29.766 1.00 0.00 C ATOM 1014 CE LYS A 64 -8.062 -10.654 -30.961 1.00 0.00 C ATOM 1015 NZ LYS A 64 -8.303 -11.392 -32.231 1.00 0.00 N ATOM 0 H LYS A 64 -8.763 -11.652 -26.093 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.391 -13.172 -26.853 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.615 -10.520 -27.683 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.029 -11.024 -28.233 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.871 -12.529 -29.711 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.112 -13.083 -28.606 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.482 -12.018 -30.104 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.117 -10.635 -29.091 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.481 -9.651 -31.039 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.989 -10.540 -30.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.870 -10.873 -33.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.881 -12.340 -32.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.327 -11.479 -32.393 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.261 -10.343 -25.137 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.422 -9.556 -24.241 1.00 0.00 C ATOM 1031 C TYR A 65 -5.738 -9.871 -22.782 1.00 0.00 C ATOM 1032 O TYR A 65 -4.845 -10.176 -21.993 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.617 -8.062 -24.506 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.174 -7.758 -25.878 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -5.488 -8.133 -27.027 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.387 -7.098 -26.026 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -5.992 -7.856 -28.282 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -7.901 -6.818 -27.278 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.199 -7.199 -28.403 1.00 0.00 C ATOM 1040 OH TYR A 65 -7.706 -6.923 -29.652 1.00 0.00 O ATOM 0 H TYR A 65 -7.190 -9.954 -25.295 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.382 -9.819 -24.434 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.289 -7.652 -23.752 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.660 -7.553 -24.391 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.544 -8.650 -26.937 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.938 -6.798 -25.147 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.444 -8.152 -29.164 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.846 -6.304 -27.375 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.564 -6.458 -29.561 1.00 0.00 H new ATOM 1050 N GLY A 66 -7.018 -9.796 -22.431 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.432 -10.076 -21.069 1.00 0.00 C ATOM 1052 C GLY A 66 -6.730 -11.288 -20.487 1.00 0.00 C ATOM 1053 O GLY A 66 -6.456 -11.339 -19.289 1.00 0.00 O ATOM 0 H GLY A 66 -7.776 -9.546 -23.066 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.227 -9.207 -20.444 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.510 -10.238 -21.046 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.440 -12.267 -21.338 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.766 -13.483 -20.902 1.00 0.00 C ATOM 1059 C ALA A 67 -4.519 -13.158 -20.086 1.00 0.00 C ATOM 1060 O ALA A 67 -4.375 -13.609 -18.951 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.404 -14.345 -22.102 1.00 0.00 C ATOM 0 H ALA A 67 -6.662 -12.241 -22.333 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.452 -14.039 -20.263 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.901 -15.250 -21.761 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.311 -14.615 -22.643 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.740 -13.788 -22.763 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.622 -12.373 -20.674 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.386 -11.989 -20.001 1.00 0.00 C ATOM 1069 C GLU A 68 -2.683 -11.236 -18.707 1.00 0.00 C ATOM 1070 O GLU A 68 -1.976 -11.387 -17.711 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.525 -11.123 -20.922 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.310 -11.727 -22.300 1.00 0.00 C ATOM 1073 CD GLU A 68 -1.022 -13.215 -22.245 1.00 0.00 C ATOM 1074 OE1 GLU A 68 -0.005 -13.600 -21.632 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -1.814 -13.994 -22.817 1.00 0.00 O ATOM 0 H GLU A 68 -3.727 -11.991 -21.614 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.839 -12.899 -19.755 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.995 -10.146 -21.032 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.556 -10.959 -20.451 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.196 -11.554 -22.911 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.480 -11.218 -22.791 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.734 -10.422 -18.731 1.00 0.00 N ATOM 1083 CA VAL A 69 -4.126 -9.645 -17.561 1.00 0.00 C ATOM 1084 C VAL A 69 -4.518 -10.555 -16.403 1.00 0.00 C ATOM 1085 O VAL A 69 -4.050 -10.380 -15.277 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.302 -8.703 -17.881 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.604 -7.803 -16.693 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -5.000 -7.877 -19.122 1.00 0.00 C ATOM 0 H VAL A 69 -4.329 -10.284 -19.548 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.261 -9.048 -17.273 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.186 -9.309 -18.081 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.438 -7.145 -16.938 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.866 -8.415 -15.830 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.725 -7.203 -16.458 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.841 -7.217 -19.334 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.104 -7.280 -18.952 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.838 -8.541 -19.971 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.379 -11.526 -16.686 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.833 -12.465 -15.668 1.00 0.00 C ATOM 1100 C ILE A 70 -4.670 -13.287 -15.121 1.00 0.00 C ATOM 1101 O ILE A 70 -4.562 -13.500 -13.913 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.906 -13.421 -16.222 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -8.114 -12.629 -16.725 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.327 -14.420 -15.154 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -9.265 -13.502 -17.173 1.00 0.00 C ATOM 0 H ILE A 70 -5.776 -11.683 -17.612 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.267 -11.872 -14.863 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.483 -13.973 -17.061 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.459 -11.966 -15.932 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.803 -11.997 -17.557 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.086 -15.089 -15.560 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.461 -15.002 -14.839 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.736 -13.885 -14.297 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.086 -12.873 -17.517 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.937 -14.147 -17.988 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.603 -14.116 -16.338 1.00 0.00 H new ATOM 1117 N SER A 71 -3.802 -13.745 -16.017 1.00 0.00 N ATOM 1118 CA SER A 71 -2.648 -14.545 -15.624 1.00 0.00 C ATOM 1119 C SER A 71 -1.751 -13.770 -14.663 1.00 0.00 C ATOM 1120 O SER A 71 -1.315 -14.297 -13.640 1.00 0.00 O ATOM 1121 CB SER A 71 -1.848 -14.965 -16.859 1.00 0.00 C ATOM 1122 OG SER A 71 -2.581 -15.883 -17.652 1.00 0.00 O ATOM 0 H SER A 71 -3.876 -13.576 -17.020 1.00 0.00 H new ATOM 0 HA SER A 71 -3.012 -15.437 -15.114 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.599 -14.085 -17.452 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.906 -15.418 -16.550 1.00 0.00 H new ATOM 0 HG SER A 71 -3.247 -15.398 -18.183 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.480 -12.513 -15.001 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.637 -11.663 -14.169 1.00 0.00 C ATOM 1130 C VAL A 72 -1.284 -11.406 -12.812 1.00 0.00 C ATOM 1131 O VAL A 72 -0.649 -11.566 -11.769 1.00 0.00 O ATOM 1132 CB VAL A 72 -0.351 -10.313 -14.853 1.00 0.00 C ATOM 1133 CG1 VAL A 72 0.489 -9.423 -13.950 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.338 -10.530 -16.192 1.00 0.00 C ATOM 0 H VAL A 72 -1.832 -12.061 -15.845 1.00 0.00 H new ATOM 0 HA VAL A 72 0.303 -12.195 -14.025 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.301 -9.810 -15.036 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.681 -8.474 -14.451 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.047 -9.240 -13.019 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.436 -9.916 -13.733 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.533 -9.566 -16.662 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.281 -11.054 -16.035 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.305 -11.126 -16.840 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.551 -11.006 -12.834 1.00 0.00 N ATOM 1145 CA LEU A 73 -3.286 -10.727 -11.605 1.00 0.00 C ATOM 1146 C LEU A 73 -3.398 -11.979 -10.741 1.00 0.00 C ATOM 1147 O LEU A 73 -3.474 -11.893 -9.516 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.681 -10.193 -11.933 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.732 -8.843 -12.650 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -6.155 -8.519 -13.077 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.177 -7.743 -11.757 1.00 0.00 C ATOM 0 H LEU A 73 -3.090 -10.868 -13.689 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.736 -9.970 -11.045 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.194 -10.930 -12.551 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.244 -10.110 -11.003 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.112 -8.904 -13.544 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.172 -7.555 -13.585 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.517 -9.293 -13.754 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.798 -8.477 -12.198 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.221 -6.790 -12.284 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.770 -7.681 -10.845 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.142 -7.969 -11.502 1.00 0.00 H new ATOM 1163 N GLN A 74 -3.405 -13.140 -11.388 1.00 0.00 N ATOM 1164 CA GLN A 74 -3.507 -14.409 -10.678 1.00 0.00 C ATOM 1165 C GLN A 74 -2.211 -14.724 -9.938 1.00 0.00 C ATOM 1166 O GLN A 74 -2.216 -14.974 -8.733 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.837 -15.539 -11.655 1.00 0.00 C ATOM 1168 CG GLN A 74 -5.276 -16.021 -11.563 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.676 -16.399 -10.151 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.825 -16.688 -9.309 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.977 -16.399 -9.884 1.00 0.00 N ATOM 0 H GLN A 74 -3.341 -13.228 -12.402 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.311 -14.324 -9.947 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.641 -15.198 -12.672 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.168 -16.379 -11.466 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.941 -15.238 -11.928 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.409 -16.883 -12.217 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.647 -16.153 -10.612 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.306 -16.645 -8.950 1.00 0.00 H new ATOM 1180 N LYS A 75 -1.100 -14.710 -10.668 1.00 0.00 N ATOM 1181 CA LYS A 75 0.205 -14.993 -10.081 1.00 0.00 C ATOM 1182 C LYS A 75 0.536 -13.989 -8.981 1.00 0.00 C ATOM 1183 O LYS A 75 1.146 -14.340 -7.971 1.00 0.00 O ATOM 1184 CB LYS A 75 1.289 -14.959 -11.160 1.00 0.00 C ATOM 1185 CG LYS A 75 1.372 -13.634 -11.899 1.00 0.00 C ATOM 1186 CD LYS A 75 2.516 -13.624 -12.899 1.00 0.00 C ATOM 1187 CE LYS A 75 3.209 -12.271 -12.939 1.00 0.00 C ATOM 1188 NZ LYS A 75 3.990 -12.011 -11.698 1.00 0.00 N ATOM 0 H LYS A 75 -1.077 -14.506 -11.667 1.00 0.00 H new ATOM 0 HA LYS A 75 0.170 -15.989 -9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.254 -15.170 -10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.098 -15.755 -11.880 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.432 -13.446 -12.418 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.507 -12.824 -11.182 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.238 -14.396 -12.635 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.136 -13.869 -13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.874 -12.229 -13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.465 -11.486 -13.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.677 -11.250 -11.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.344 -11.725 -10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.495 -12.876 -11.418 1.00 0.00 H new ATOM 1202 N TYR A 76 0.128 -12.741 -9.183 1.00 0.00 N ATOM 1203 CA TYR A 76 0.382 -11.687 -8.208 1.00 0.00 C ATOM 1204 C TYR A 76 -0.585 -11.788 -7.032 1.00 0.00 C ATOM 1205 O TYR A 76 -0.273 -11.364 -5.920 1.00 0.00 O ATOM 1206 CB TYR A 76 0.260 -10.313 -8.868 1.00 0.00 C ATOM 1207 CG TYR A 76 -0.609 -9.346 -8.096 1.00 0.00 C ATOM 1208 CD1 TYR A 76 -0.065 -8.513 -7.126 1.00 0.00 C ATOM 1209 CD2 TYR A 76 -1.975 -9.264 -8.338 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -0.855 -7.629 -6.418 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -2.773 -8.382 -7.636 1.00 0.00 C ATOM 1212 CZ TYR A 76 -2.209 -7.567 -6.677 1.00 0.00 C ATOM 1213 OH TYR A 76 -3.000 -6.686 -5.975 1.00 0.00 O ATOM 0 H TYR A 76 -0.380 -12.435 -10.013 1.00 0.00 H new ATOM 0 HA TYR A 76 1.397 -11.812 -7.831 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.255 -9.884 -8.981 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -0.150 -10.436 -9.871 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.995 -8.558 -6.922 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.420 -9.901 -9.088 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.416 -6.990 -5.666 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.833 -8.331 -7.837 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.928 -6.767 -6.279 1.00 0.00 H new ATOM 1223 N SER A 77 -1.761 -12.352 -7.289 1.00 0.00 N ATOM 1224 CA SER A 77 -2.777 -12.506 -6.254 1.00 0.00 C ATOM 1225 C SER A 77 -2.336 -13.525 -5.207 1.00 0.00 C ATOM 1226 O SER A 77 -2.642 -13.387 -4.024 1.00 0.00 O ATOM 1227 CB SER A 77 -4.106 -12.938 -6.875 1.00 0.00 C ATOM 1228 OG SER A 77 -4.866 -13.715 -5.965 1.00 0.00 O ATOM 0 H SER A 77 -2.034 -12.710 -8.204 1.00 0.00 H new ATOM 0 HA SER A 77 -2.910 -11.542 -5.763 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.676 -12.057 -7.170 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.917 -13.514 -7.781 1.00 0.00 H new ATOM 0 HG SER A 77 -5.711 -13.977 -6.385 1.00 0.00 H new ATOM 1234 N GLU A 78 -1.615 -14.549 -5.654 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.132 -15.592 -4.757 1.00 0.00 C ATOM 1236 C GLU A 78 -0.336 -14.991 -3.602 1.00 0.00 C ATOM 1237 O GLU A 78 -0.420 -15.459 -2.466 1.00 0.00 O ATOM 1238 CB GLU A 78 -0.265 -16.593 -5.522 1.00 0.00 C ATOM 1239 CG GLU A 78 -1.002 -17.305 -6.643 1.00 0.00 C ATOM 1240 CD GLU A 78 -1.774 -18.516 -6.157 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -1.133 -19.474 -5.675 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -3.019 -18.507 -6.258 1.00 0.00 O ATOM 0 H GLU A 78 -1.353 -14.678 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.998 -16.112 -4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.596 -16.071 -5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.120 -17.335 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.690 -16.608 -7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.286 -17.617 -7.403 1.00 0.00 H new ATOM 1249 N TRP A 79 0.436 -13.952 -3.901 1.00 0.00 N ATOM 1250 CA TRP A 79 1.248 -13.287 -2.888 1.00 0.00 C ATOM 1251 C TRP A 79 0.377 -12.758 -1.754 1.00 0.00 C ATOM 1252 O TRP A 79 0.476 -13.217 -0.615 1.00 0.00 O ATOM 1253 CB TRP A 79 2.043 -12.141 -3.515 1.00 0.00 C ATOM 1254 CG TRP A 79 3.283 -12.595 -4.223 1.00 0.00 C ATOM 1255 CD1 TRP A 79 3.508 -12.588 -5.570 1.00 0.00 C ATOM 1256 CD2 TRP A 79 4.468 -13.126 -3.619 1.00 0.00 C ATOM 1257 NE1 TRP A 79 4.761 -13.082 -5.840 1.00 0.00 N ATOM 1258 CE2 TRP A 79 5.371 -13.419 -4.661 1.00 0.00 C ATOM 1259 CE3 TRP A 79 4.856 -13.381 -2.301 1.00 0.00 C ATOM 1260 CZ2 TRP A 79 6.634 -13.953 -4.422 1.00 0.00 C ATOM 1261 CZ3 TRP A 79 6.110 -13.912 -2.066 1.00 0.00 C ATOM 1262 CH2 TRP A 79 6.987 -14.193 -3.122 1.00 0.00 C ATOM 0 H TRP A 79 0.517 -13.552 -4.836 1.00 0.00 H new ATOM 0 HA TRP A 79 1.943 -14.019 -2.476 1.00 0.00 H new ATOM 0 HB2 TRP A 79 1.405 -11.609 -4.221 1.00 0.00 H new ATOM 0 HB3 TRP A 79 2.318 -11.430 -2.736 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.804 -12.245 -6.314 1.00 0.00 H new ATOM 0 HE1 TRP A 79 5.171 -13.182 -6.769 1.00 0.00 H new ATOM 0 HE3 TRP A 79 4.187 -13.167 -1.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 7.312 -14.170 -5.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 6.419 -14.114 -1.051 1.00 0.00 H new ATOM 0 HH2 TRP A 79 7.961 -14.607 -2.906 1.00 0.00 H new ATOM 1273 N THR A 80 -0.476 -11.789 -2.070 1.00 0.00 N ATOM 1274 CA THR A 80 -1.363 -11.197 -1.077 1.00 0.00 C ATOM 1275 C THR A 80 -2.427 -12.191 -0.628 1.00 0.00 C ATOM 1276 O THR A 80 -2.956 -12.956 -1.435 1.00 0.00 O ATOM 1277 CB THR A 80 -2.055 -9.934 -1.624 1.00 0.00 C ATOM 1278 OG1 THR A 80 -1.228 -9.311 -2.613 1.00 0.00 O ATOM 1279 CG2 THR A 80 -2.343 -8.946 -0.503 1.00 0.00 C ATOM 0 H THR A 80 -0.571 -11.397 -3.007 1.00 0.00 H new ATOM 0 HA THR A 80 -0.743 -10.922 -0.224 1.00 0.00 H new ATOM 0 HB THR A 80 -3.001 -10.233 -2.077 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.676 -8.510 -2.957 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.832 -8.062 -0.913 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.996 -9.413 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.407 -8.654 -0.026 1.00 0.00 H new ATOM 1287 N SER A 81 -2.738 -12.175 0.664 1.00 0.00 N ATOM 1288 CA SER A 81 -3.738 -13.078 1.221 1.00 0.00 C ATOM 1289 C SER A 81 -4.700 -12.326 2.136 1.00 0.00 C ATOM 1290 O SER A 81 -4.711 -12.509 3.353 1.00 0.00 O ATOM 1291 CB SER A 81 -3.059 -14.209 1.996 1.00 0.00 C ATOM 1292 OG SER A 81 -3.992 -15.214 2.353 1.00 0.00 O ATOM 0 H SER A 81 -2.312 -11.546 1.345 1.00 0.00 H new ATOM 0 HA SER A 81 -4.308 -13.504 0.395 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.265 -14.644 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.590 -13.808 2.895 1.00 0.00 H new ATOM 0 HG SER A 81 -3.533 -15.926 2.846 1.00 0.00 H new ATOM 1298 N PRO A 82 -5.529 -11.458 1.536 1.00 0.00 N ATOM 1299 CA PRO A 82 -6.510 -10.660 2.276 1.00 0.00 C ATOM 1300 C PRO A 82 -7.647 -11.511 2.833 1.00 0.00 C ATOM 1301 O PRO A 82 -8.003 -12.540 2.260 1.00 0.00 O ATOM 1302 CB PRO A 82 -7.040 -9.684 1.223 1.00 0.00 C ATOM 1303 CG PRO A 82 -6.824 -10.376 -0.078 1.00 0.00 C ATOM 1304 CD PRO A 82 -5.571 -11.189 0.089 1.00 0.00 C ATOM 0 HA PRO A 82 -6.067 -10.172 3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.095 -9.463 1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.506 -8.734 1.260 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.673 -11.013 -0.327 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.717 -9.656 -0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.610 -12.112 -0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.689 -10.641 -0.244 1.00 0.00 H new ATOM 1312 N ALA A 83 -8.212 -11.074 3.954 1.00 0.00 N ATOM 1313 CA ALA A 83 -9.310 -11.795 4.587 1.00 0.00 C ATOM 1314 C ALA A 83 -8.864 -13.177 5.050 1.00 0.00 C ATOM 1315 O ALA A 83 -9.688 -14.068 5.256 1.00 0.00 O ATOM 1316 CB ALA A 83 -10.487 -11.910 3.629 1.00 0.00 C ATOM 0 H ALA A 83 -7.928 -10.225 4.442 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.625 -11.231 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.300 -12.450 4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.829 -10.913 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.176 -12.449 2.734 1.00 0.00 H new ATOM 1322 N GLU A 84 -7.556 -13.349 5.212 1.00 0.00 N ATOM 1323 CA GLU A 84 -7.002 -14.625 5.650 1.00 0.00 C ATOM 1324 C GLU A 84 -7.775 -15.791 5.040 1.00 0.00 C ATOM 1325 O GLU A 84 -8.552 -16.460 5.722 1.00 0.00 O ATOM 1326 CB GLU A 84 -7.032 -14.722 7.176 1.00 0.00 C ATOM 1327 CG GLU A 84 -8.370 -14.338 7.785 1.00 0.00 C ATOM 1328 CD GLU A 84 -8.415 -14.560 9.284 1.00 0.00 C ATOM 1329 OE1 GLU A 84 -7.421 -14.226 9.962 1.00 0.00 O ATOM 1330 OE2 GLU A 84 -9.443 -15.067 9.779 1.00 0.00 O ATOM 0 H GLU A 84 -6.861 -12.621 5.047 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.968 -14.679 5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.787 -15.742 7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.256 -14.076 7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.575 -13.289 7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.161 -14.920 7.312 1.00 0.00 H new ATOM 1337 N ASP A 85 -7.555 -16.029 3.751 1.00 0.00 N ATOM 1338 CA ASP A 85 -8.229 -17.114 3.048 1.00 0.00 C ATOM 1339 C ASP A 85 -7.328 -17.704 1.968 1.00 0.00 C ATOM 1340 O ASP A 85 -6.898 -18.854 2.064 1.00 0.00 O ATOM 1341 CB ASP A 85 -9.534 -16.614 2.425 1.00 0.00 C ATOM 1342 CG ASP A 85 -10.165 -17.638 1.502 1.00 0.00 C ATOM 1343 OD1 ASP A 85 -10.441 -18.764 1.966 1.00 0.00 O ATOM 1344 OD2 ASP A 85 -10.383 -17.313 0.317 1.00 0.00 O ATOM 0 H ASP A 85 -6.915 -15.485 3.172 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.458 -17.896 3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.238 -16.361 3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.339 -15.698 1.867 1.00 0.00 H new TER 1349 ASP A 85