USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 723 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 64 SER OG : rot 180:sc= 1.15 USER MOD Set 1.2: A 67 SER OG : rot 58:sc= 1.19 USER MOD Set 2.1: A 19 TYR OH : rot 77:sc= 0.00269 USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 13 GLN : amide:sc= 2.53 K(o=4.2,f=-6.9!) USER MOD Set 3.2: A 36 ASN : amide:sc= 1.65 K(o=4.2,f=-7.6!) USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.039) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.0178 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 2.4 K(o=2.4,f=-6.5!) USER MOD Single : A 4 TYR OH : rot -175:sc= 1.33 USER MOD Single : A 22 GLN : amide:sc= -1.85 X(o=-1.8,f=-2) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -136:sc= 1.26 (180deg=1.03) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= 2.4 (180deg=2.04) USER MOD Single : A 51 ASN : amide:sc= 0.867 K(o=0.87,f=-4.4!) USER MOD Single : A 54 GLN : amide:sc= 0.584 K(o=0.58,f=0) USER MOD Single : A 55 SER OG : rot 80:sc= 1.37 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.836 K(o=0.84,f=-0.0023) USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0114) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -60:sc= 0.655 USER MOD Single : A 77 SER OG : rot 10:sc= 0.403 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.49 K(o=0.49,f=-2!) USER MOD Single : A 84 HIS : no HE2:sc= 0.491 K(o=0.49,f=-2.5!) USER MOD Single : A 87 SER OG : rot 72:sc= 0.713 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.390 -0.149 -1.257 1.00 0.00 N ATOM 2 CA MET A 1 1.084 -0.171 -1.436 1.00 0.00 C ATOM 3 C MET A 1 1.534 -1.549 -1.917 1.00 0.00 C ATOM 4 O MET A 1 1.000 -2.573 -1.481 1.00 0.00 O ATOM 5 CB MET A 1 1.841 0.193 -0.137 1.00 0.00 C ATOM 6 CG MET A 1 1.936 1.706 0.099 1.00 0.00 C ATOM 7 SD MET A 1 2.858 2.639 -1.162 1.00 0.00 S ATOM 8 CE MET A 1 4.552 2.064 -0.846 1.00 0.00 C ATOM 0 H1 MET A 1 -0.636 0.497 -0.480 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.841 0.178 -2.135 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.727 -1.107 -1.030 1.00 0.00 H new ATOM 0 HA MET A 1 1.326 0.584 -2.184 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.338 -0.270 0.712 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.846 -0.226 -0.180 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.926 2.111 0.159 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.406 1.876 1.068 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.247 2.613 -1.481 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.805 2.234 0.200 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.622 0.999 -1.067 1.00 0.00 H new ATOM 20 N LEU A 2 2.539 -1.590 -2.790 1.00 0.00 N ATOM 21 CA LEU A 2 3.252 -2.796 -3.203 1.00 0.00 C ATOM 22 C LEU A 2 4.716 -2.399 -3.453 1.00 0.00 C ATOM 23 O LEU A 2 5.054 -1.211 -3.402 1.00 0.00 O ATOM 24 CB LEU A 2 2.544 -3.394 -4.440 1.00 0.00 C ATOM 25 CG LEU A 2 3.046 -4.768 -4.932 1.00 0.00 C ATOM 26 CD1 LEU A 2 2.978 -5.846 -3.842 1.00 0.00 C ATOM 27 CD2 LEU A 2 2.209 -5.213 -6.136 1.00 0.00 C ATOM 0 H LEU A 2 2.893 -0.749 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 2 3.245 -3.576 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.481 -3.482 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.638 -2.684 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 2 4.093 -4.651 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.343 -6.792 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.597 -5.547 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.946 -5.966 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.562 -6.183 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.162 -5.291 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.307 -4.481 -6.938 1.00 0.00 H new ATOM 39 N GLN A 3 5.586 -3.381 -3.692 1.00 0.00 N ATOM 40 CA GLN A 3 7.029 -3.238 -3.837 1.00 0.00 C ATOM 41 C GLN A 3 7.500 -4.327 -4.806 1.00 0.00 C ATOM 42 O GLN A 3 7.015 -5.462 -4.750 1.00 0.00 O ATOM 43 CB GLN A 3 7.626 -3.405 -2.429 1.00 0.00 C ATOM 44 CG GLN A 3 9.145 -3.622 -2.280 1.00 0.00 C ATOM 45 CD GLN A 3 9.457 -4.112 -0.860 1.00 0.00 C ATOM 46 OE1 GLN A 3 8.719 -4.913 -0.293 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.511 -3.664 -0.209 1.00 0.00 N ATOM 0 H GLN A 3 5.283 -4.349 -3.795 1.00 0.00 H new ATOM 0 HA GLN A 3 7.339 -2.273 -4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.363 -2.518 -1.853 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.125 -4.251 -1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.492 -4.351 -3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.677 -2.692 -2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.141 -2.998 -0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.697 -3.983 0.742 1.00 0.00 H new ATOM 56 N TYR A 4 8.457 -4.005 -5.677 1.00 0.00 N ATOM 57 CA TYR A 4 9.124 -4.979 -6.532 1.00 0.00 C ATOM 58 C TYR A 4 10.601 -4.644 -6.696 1.00 0.00 C ATOM 59 O TYR A 4 11.041 -3.530 -6.398 1.00 0.00 O ATOM 60 CB TYR A 4 8.407 -5.144 -7.890 1.00 0.00 C ATOM 61 CG TYR A 4 8.175 -3.933 -8.780 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.219 -3.053 -9.142 1.00 0.00 C ATOM 63 CD2 TYR A 4 6.910 -3.783 -9.379 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.000 -2.035 -10.085 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.690 -2.784 -10.339 1.00 0.00 C ATOM 66 CZ TYR A 4 7.735 -1.907 -10.697 1.00 0.00 C ATOM 67 OH TYR A 4 7.546 -0.958 -11.647 1.00 0.00 O ATOM 0 H TYR A 4 8.792 -3.050 -5.808 1.00 0.00 H new ATOM 0 HA TYR A 4 9.065 -5.948 -6.036 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.977 -5.869 -8.471 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.433 -5.591 -7.690 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.194 -3.164 -8.690 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.102 -4.442 -9.097 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.797 -1.353 -10.341 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.720 -2.686 -10.804 1.00 0.00 H new ATOM 0 HH TYR A 4 6.603 -0.946 -11.914 1.00 0.00 H new ATOM 77 N ARG A 5 11.348 -5.599 -7.245 1.00 0.00 N ATOM 78 CA ARG A 5 12.698 -5.421 -7.757 1.00 0.00 C ATOM 79 C ARG A 5 12.671 -5.946 -9.188 1.00 0.00 C ATOM 80 O ARG A 5 12.020 -6.959 -9.440 1.00 0.00 O ATOM 81 CB ARG A 5 13.681 -6.206 -6.877 1.00 0.00 C ATOM 82 CG ARG A 5 15.155 -5.951 -7.238 1.00 0.00 C ATOM 83 CD ARG A 5 16.088 -6.911 -6.490 1.00 0.00 C ATOM 84 NE ARG A 5 15.858 -8.315 -6.884 1.00 0.00 N ATOM 85 CZ ARG A 5 16.773 -9.246 -7.172 1.00 0.00 C ATOM 86 NH1 ARG A 5 18.073 -8.962 -7.234 1.00 0.00 N ATOM 87 NH2 ARG A 5 16.344 -10.482 -7.404 1.00 0.00 N ATOM 0 H ARG A 5 11.012 -6.557 -7.348 1.00 0.00 H new ATOM 0 HA ARG A 5 13.023 -4.381 -7.743 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.518 -5.938 -5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.470 -7.271 -6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.294 -6.070 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.418 -4.922 -6.994 1.00 0.00 H new ATOM 0 HD2 ARG A 5 17.125 -6.642 -6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.934 -6.805 -5.416 1.00 0.00 H new ATOM 0 HE ARG A 5 14.883 -8.610 -6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 5 18.396 -8.010 -7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.745 -9.696 -7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.347 -10.693 -7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.012 -11.220 -7.627 1.00 0.00 H new ATOM 101 N ILE A 6 13.344 -5.283 -10.120 1.00 0.00 N ATOM 102 CA ILE A 6 13.379 -5.667 -11.526 1.00 0.00 C ATOM 103 C ILE A 6 14.841 -5.604 -11.956 1.00 0.00 C ATOM 104 O ILE A 6 15.559 -4.681 -11.570 1.00 0.00 O ATOM 105 CB ILE A 6 12.425 -4.770 -12.363 1.00 0.00 C ATOM 106 CG1 ILE A 6 10.973 -4.951 -11.857 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.510 -5.087 -13.870 1.00 0.00 C ATOM 108 CD1 ILE A 6 9.887 -4.178 -12.606 1.00 0.00 C ATOM 0 H ILE A 6 13.892 -4.447 -9.916 1.00 0.00 H new ATOM 0 HA ILE A 6 13.011 -6.680 -11.691 1.00 0.00 H new ATOM 0 HB ILE A 6 12.735 -3.733 -12.234 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.727 -6.012 -11.899 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.938 -4.657 -10.808 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.827 -4.437 -14.418 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.529 -4.920 -14.220 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.234 -6.128 -14.039 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.916 -4.388 -12.157 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.092 -3.109 -12.543 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.877 -4.485 -13.652 1.00 0.00 H new ATOM 120 N ILE A 7 15.281 -6.571 -12.757 1.00 0.00 N ATOM 121 CA ILE A 7 16.607 -6.617 -13.362 1.00 0.00 C ATOM 122 C ILE A 7 16.371 -6.446 -14.859 1.00 0.00 C ATOM 123 O ILE A 7 15.371 -6.945 -15.380 1.00 0.00 O ATOM 124 CB ILE A 7 17.342 -7.944 -13.038 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.230 -8.383 -11.559 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.825 -7.874 -13.451 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.822 -7.393 -10.548 1.00 0.00 C ATOM 0 H ILE A 7 14.703 -7.372 -13.011 1.00 0.00 H new ATOM 0 HA ILE A 7 17.256 -5.834 -12.969 1.00 0.00 H new ATOM 0 HB ILE A 7 16.830 -8.704 -13.628 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.178 -8.540 -11.320 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.730 -9.344 -11.441 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.314 -8.818 -13.212 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.896 -7.690 -14.523 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.315 -7.064 -12.911 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.697 -7.785 -9.539 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.883 -7.253 -10.754 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.307 -6.436 -10.631 1.00 0.00 H new ATOM 139 N VAL A 8 17.266 -5.742 -15.548 1.00 0.00 N ATOM 140 CA VAL A 8 17.128 -5.401 -16.955 1.00 0.00 C ATOM 141 C VAL A 8 18.501 -5.601 -17.596 1.00 0.00 C ATOM 142 O VAL A 8 19.525 -5.221 -17.016 1.00 0.00 O ATOM 143 CB VAL A 8 16.614 -3.948 -17.096 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.291 -3.602 -18.555 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.342 -3.678 -16.274 1.00 0.00 C ATOM 0 H VAL A 8 18.126 -5.386 -15.131 1.00 0.00 H new ATOM 0 HA VAL A 8 16.398 -6.034 -17.460 1.00 0.00 H new ATOM 0 HB VAL A 8 17.428 -3.328 -16.720 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.933 -2.574 -18.615 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.190 -3.709 -19.162 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.520 -4.277 -18.927 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.031 -2.643 -16.414 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.546 -4.344 -16.606 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.547 -3.855 -15.218 1.00 0.00 H new ATOM 155 N ASP A 9 18.519 -6.194 -18.789 1.00 0.00 N ATOM 156 CA ASP A 9 19.715 -6.552 -19.540 1.00 0.00 C ATOM 157 C ASP A 9 19.513 -6.200 -21.016 1.00 0.00 C ATOM 158 O ASP A 9 18.373 -6.117 -21.482 1.00 0.00 O ATOM 159 CB ASP A 9 19.982 -8.054 -19.380 1.00 0.00 C ATOM 160 CG ASP A 9 21.248 -8.491 -20.129 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.222 -7.706 -20.153 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.290 -9.630 -20.645 1.00 0.00 O ATOM 0 H ASP A 9 17.660 -6.448 -19.278 1.00 0.00 H new ATOM 0 HA ASP A 9 20.573 -5.997 -19.161 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.085 -8.294 -18.322 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.126 -8.617 -19.753 1.00 0.00 H new ATOM 167 N GLY A 10 20.609 -5.963 -21.739 1.00 0.00 N ATOM 168 CA GLY A 10 20.629 -5.528 -23.128 1.00 0.00 C ATOM 169 C GLY A 10 21.657 -4.414 -23.311 1.00 0.00 C ATOM 170 O GLY A 10 22.567 -4.263 -22.489 1.00 0.00 O ATOM 0 H GLY A 10 21.546 -6.075 -21.351 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.872 -6.369 -23.778 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.641 -5.174 -23.421 1.00 0.00 H new ATOM 174 N ARG A 11 21.499 -3.588 -24.351 1.00 0.00 N ATOM 175 CA ARG A 11 22.136 -2.270 -24.387 1.00 0.00 C ATOM 176 C ARG A 11 21.379 -1.398 -23.391 1.00 0.00 C ATOM 177 O ARG A 11 20.418 -0.739 -23.779 1.00 0.00 O ATOM 178 CB ARG A 11 22.141 -1.678 -25.812 1.00 0.00 C ATOM 179 CG ARG A 11 22.895 -0.333 -25.855 1.00 0.00 C ATOM 180 CD ARG A 11 22.934 0.293 -27.255 1.00 0.00 C ATOM 181 NE ARG A 11 21.612 0.785 -27.693 1.00 0.00 N ATOM 182 CZ ARG A 11 20.922 0.394 -28.773 1.00 0.00 C ATOM 183 NH1 ARG A 11 21.349 -0.602 -29.547 1.00 0.00 N ATOM 184 NH2 ARG A 11 19.789 1.020 -29.063 1.00 0.00 N ATOM 0 H ARG A 11 20.938 -3.808 -25.174 1.00 0.00 H new ATOM 0 HA ARG A 11 23.188 -2.333 -24.108 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.609 -2.382 -26.500 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.116 -1.534 -26.152 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.420 0.365 -25.165 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.915 -0.484 -25.503 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.645 1.119 -27.260 1.00 0.00 H new ATOM 0 HD3 ARG A 11 23.298 -0.445 -27.969 1.00 0.00 H new ATOM 0 HE ARG A 11 21.177 1.500 -27.110 1.00 0.00 H new ATOM 0 HH11 ARG A 11 22.219 -1.085 -29.323 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.806 -0.882 -30.364 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.460 1.781 -28.469 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.246 0.740 -29.880 1.00 0.00 H new ATOM 198 N VAL A 12 21.743 -1.460 -22.112 1.00 0.00 N ATOM 199 CA VAL A 12 21.013 -0.791 -21.031 1.00 0.00 C ATOM 200 C VAL A 12 21.968 -0.080 -20.057 1.00 0.00 C ATOM 201 O VAL A 12 21.527 0.453 -19.042 1.00 0.00 O ATOM 202 CB VAL A 12 20.047 -1.785 -20.343 1.00 0.00 C ATOM 203 CG1 VAL A 12 19.033 -2.379 -21.340 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.772 -2.937 -19.631 1.00 0.00 C ATOM 0 H VAL A 12 22.560 -1.980 -21.791 1.00 0.00 H new ATOM 0 HA VAL A 12 20.397 0.002 -21.455 1.00 0.00 H new ATOM 0 HB VAL A 12 19.523 -1.195 -19.591 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.373 -3.072 -20.818 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.442 -1.576 -21.780 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.566 -2.910 -22.128 1.00 0.00 H new ATOM 0 HG21 VAL A 12 20.039 -3.598 -19.169 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.362 -3.499 -20.355 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.431 -2.533 -18.862 1.00 0.00 H new ATOM 214 N GLN A 13 23.268 -0.032 -20.370 1.00 0.00 N ATOM 215 CA GLN A 13 24.260 0.820 -19.718 1.00 0.00 C ATOM 216 C GLN A 13 25.094 1.470 -20.826 1.00 0.00 C ATOM 217 O GLN A 13 25.025 1.052 -21.986 1.00 0.00 O ATOM 218 CB GLN A 13 25.144 0.022 -18.737 1.00 0.00 C ATOM 219 CG GLN A 13 24.358 -0.553 -17.548 1.00 0.00 C ATOM 220 CD GLN A 13 25.253 -0.847 -16.346 1.00 0.00 C ATOM 221 OE1 GLN A 13 25.732 0.077 -15.693 1.00 0.00 O ATOM 222 NE2 GLN A 13 25.473 -2.095 -15.974 1.00 0.00 N ATOM 0 H GLN A 13 23.669 -0.607 -21.111 1.00 0.00 H new ATOM 0 HA GLN A 13 23.765 1.582 -19.116 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.627 -0.794 -19.274 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.936 0.670 -18.362 1.00 0.00 H new ATOM 0 HG2 GLN A 13 23.581 0.152 -17.255 1.00 0.00 H new ATOM 0 HG3 GLN A 13 23.856 -1.470 -17.857 1.00 0.00 H new ATOM 0 HE21 GLN A 13 25.077 -2.865 -16.513 1.00 0.00 H new ATOM 0 HE22 GLN A 13 26.039 -2.289 -15.148 1.00 0.00 H new ATOM 231 N GLY A 14 25.837 2.529 -20.497 1.00 0.00 N ATOM 232 CA GLY A 14 26.474 3.411 -21.474 1.00 0.00 C ATOM 233 C GLY A 14 25.442 4.398 -22.023 1.00 0.00 C ATOM 234 O GLY A 14 25.645 5.612 -21.950 1.00 0.00 O ATOM 0 H GLY A 14 26.015 2.801 -19.530 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.298 3.952 -21.008 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.899 2.823 -22.288 1.00 0.00 H new ATOM 238 N VAL A 15 24.293 3.887 -22.475 1.00 0.00 N ATOM 239 CA VAL A 15 23.056 4.657 -22.569 1.00 0.00 C ATOM 240 C VAL A 15 22.675 5.153 -21.164 1.00 0.00 C ATOM 241 O VAL A 15 22.963 4.486 -20.164 1.00 0.00 O ATOM 242 CB VAL A 15 21.942 3.809 -23.228 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.269 3.552 -24.707 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.698 2.455 -22.543 1.00 0.00 C ATOM 0 H VAL A 15 24.198 2.921 -22.787 1.00 0.00 H new ATOM 0 HA VAL A 15 23.195 5.529 -23.208 1.00 0.00 H new ATOM 0 HB VAL A 15 21.031 4.398 -23.121 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.476 2.954 -25.156 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.349 4.504 -25.233 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.215 3.016 -24.783 1.00 0.00 H new ATOM 0 HG21 VAL A 15 20.903 1.922 -23.064 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.612 1.862 -22.572 1.00 0.00 H new ATOM 0 HG23 VAL A 15 21.405 2.619 -21.506 1.00 0.00 H new ATOM 254 N GLY A 16 22.001 6.303 -21.075 1.00 0.00 N ATOM 255 CA GLY A 16 21.675 6.974 -19.815 1.00 0.00 C ATOM 256 C GLY A 16 20.460 6.373 -19.111 1.00 0.00 C ATOM 257 O GLY A 16 19.646 7.114 -18.557 1.00 0.00 O ATOM 0 H GLY A 16 21.660 6.804 -21.895 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.536 6.921 -19.149 1.00 0.00 H new ATOM 0 HA3 GLY A 16 21.488 8.030 -20.011 1.00 0.00 H new ATOM 261 N PHE A 17 20.289 5.049 -19.161 1.00 0.00 N ATOM 262 CA PHE A 17 19.074 4.381 -18.708 1.00 0.00 C ATOM 263 C PHE A 17 18.782 4.644 -17.225 1.00 0.00 C ATOM 264 O PHE A 17 17.621 4.816 -16.864 1.00 0.00 O ATOM 265 CB PHE A 17 19.159 2.880 -19.017 1.00 0.00 C ATOM 266 CG PHE A 17 17.910 2.082 -18.676 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.638 2.554 -19.054 1.00 0.00 C ATOM 268 CD2 PHE A 17 18.014 0.870 -17.968 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.481 1.842 -18.700 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.857 0.143 -17.632 1.00 0.00 C ATOM 271 CZ PHE A 17 15.589 0.628 -17.999 1.00 0.00 C ATOM 0 H PHE A 17 20.997 4.409 -19.520 1.00 0.00 H new ATOM 0 HA PHE A 17 18.231 4.802 -19.257 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.374 2.754 -20.078 1.00 0.00 H new ATOM 0 HB3 PHE A 17 20.002 2.459 -18.469 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.552 3.470 -19.620 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.986 0.496 -17.681 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.508 2.227 -18.966 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.943 -0.788 -17.092 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.701 0.070 -17.743 1.00 0.00 H new ATOM 281 N ARG A 18 19.807 4.770 -16.370 1.00 0.00 N ATOM 282 CA ARG A 18 19.621 5.157 -14.964 1.00 0.00 C ATOM 283 C ARG A 18 18.812 6.447 -14.849 1.00 0.00 C ATOM 284 O ARG A 18 17.880 6.513 -14.048 1.00 0.00 O ATOM 285 CB ARG A 18 20.989 5.309 -14.267 1.00 0.00 C ATOM 286 CG ARG A 18 21.459 3.985 -13.648 1.00 0.00 C ATOM 287 CD ARG A 18 22.877 4.070 -13.070 1.00 0.00 C ATOM 288 NE ARG A 18 23.911 4.019 -14.121 1.00 0.00 N ATOM 289 CZ ARG A 18 24.527 2.907 -14.546 1.00 0.00 C ATOM 290 NH1 ARG A 18 24.203 1.715 -14.057 1.00 0.00 N ATOM 291 NH2 ARG A 18 25.477 2.968 -15.471 1.00 0.00 N ATOM 0 H ARG A 18 20.780 4.608 -16.630 1.00 0.00 H new ATOM 0 HA ARG A 18 19.059 4.367 -14.465 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.729 5.657 -14.988 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.919 6.070 -13.490 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.767 3.692 -12.859 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.427 3.203 -14.406 1.00 0.00 H new ATOM 0 HD2 ARG A 18 22.982 4.996 -12.504 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.032 3.249 -12.370 1.00 0.00 H new ATOM 0 HE ARG A 18 24.179 4.900 -14.559 1.00 0.00 H new ATOM 0 HH11 ARG A 18 23.475 1.636 -13.347 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.682 0.879 -14.392 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.746 3.869 -15.867 1.00 0.00 H new ATOM 0 HH22 ARG A 18 25.938 2.114 -15.786 1.00 0.00 H new ATOM 305 N TYR A 19 19.134 7.457 -15.656 1.00 0.00 N ATOM 306 CA TYR A 19 18.437 8.735 -15.622 1.00 0.00 C ATOM 307 C TYR A 19 17.024 8.585 -16.188 1.00 0.00 C ATOM 308 O TYR A 19 16.097 9.178 -15.643 1.00 0.00 O ATOM 309 CB TYR A 19 19.241 9.797 -16.385 1.00 0.00 C ATOM 310 CG TYR A 19 20.672 9.932 -15.893 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.933 10.507 -14.634 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.738 9.434 -16.667 1.00 0.00 C ATOM 313 CE1 TYR A 19 22.249 10.570 -14.140 1.00 0.00 C ATOM 314 CE2 TYR A 19 23.056 9.496 -16.183 1.00 0.00 C ATOM 315 CZ TYR A 19 23.318 10.060 -14.913 1.00 0.00 C ATOM 316 OH TYR A 19 24.599 10.107 -14.449 1.00 0.00 O ATOM 0 H TYR A 19 19.882 7.410 -16.348 1.00 0.00 H new ATOM 0 HA TYR A 19 18.346 9.065 -14.587 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.250 9.544 -17.445 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.739 10.760 -16.292 1.00 0.00 H new ATOM 0 HD1 TYR A 19 20.119 10.902 -14.045 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.542 9.002 -17.637 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.443 11.007 -13.172 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.869 9.113 -16.781 1.00 0.00 H new ATOM 0 HH TYR A 19 24.731 9.403 -13.780 1.00 0.00 H new ATOM 326 N PHE A 20 16.827 7.762 -17.226 1.00 0.00 N ATOM 327 CA PHE A 20 15.496 7.492 -17.762 1.00 0.00 C ATOM 328 C PHE A 20 14.595 6.913 -16.669 1.00 0.00 C ATOM 329 O PHE A 20 13.533 7.469 -16.386 1.00 0.00 O ATOM 330 CB PHE A 20 15.576 6.547 -18.970 1.00 0.00 C ATOM 331 CG PHE A 20 14.240 6.313 -19.649 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.752 7.240 -20.592 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.480 5.167 -19.341 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.514 7.019 -21.221 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.250 4.941 -19.980 1.00 0.00 C ATOM 336 CZ PHE A 20 11.765 5.867 -20.920 1.00 0.00 C ATOM 0 H PHE A 20 17.579 7.272 -17.710 1.00 0.00 H new ATOM 0 HA PHE A 20 15.061 8.431 -18.104 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.276 6.959 -19.697 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.981 5.589 -18.645 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.329 8.121 -20.832 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.845 4.460 -18.611 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.137 7.735 -21.937 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.676 4.055 -19.749 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.818 5.694 -21.410 1.00 0.00 H new ATOM 346 N VAL A 21 15.041 5.841 -16.006 1.00 0.00 N ATOM 347 CA VAL A 21 14.298 5.206 -14.925 1.00 0.00 C ATOM 348 C VAL A 21 14.047 6.225 -13.805 1.00 0.00 C ATOM 349 O VAL A 21 12.937 6.275 -13.274 1.00 0.00 O ATOM 350 CB VAL A 21 15.056 3.947 -14.450 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.364 3.241 -13.281 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.170 2.903 -15.569 1.00 0.00 C ATOM 0 H VAL A 21 15.933 5.391 -16.209 1.00 0.00 H new ATOM 0 HA VAL A 21 13.319 4.873 -15.271 1.00 0.00 H new ATOM 0 HB VAL A 21 16.035 4.315 -14.142 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.943 2.364 -12.991 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.292 3.924 -12.435 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.364 2.932 -13.584 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.709 2.031 -15.199 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.172 2.604 -15.890 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.710 3.332 -16.413 1.00 0.00 H new ATOM 362 N GLN A 22 15.032 7.075 -13.483 1.00 0.00 N ATOM 363 CA GLN A 22 14.876 8.106 -12.465 1.00 0.00 C ATOM 364 C GLN A 22 13.699 9.024 -12.786 1.00 0.00 C ATOM 365 O GLN A 22 12.855 9.270 -11.928 1.00 0.00 O ATOM 366 CB GLN A 22 16.177 8.926 -12.324 1.00 0.00 C ATOM 367 CG GLN A 22 16.225 9.723 -11.009 1.00 0.00 C ATOM 368 CD GLN A 22 16.362 8.846 -9.765 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.107 9.287 -8.652 1.00 0.00 O ATOM 370 NE2 GLN A 22 16.746 7.589 -9.926 1.00 0.00 N ATOM 0 H GLN A 22 15.952 7.062 -13.922 1.00 0.00 H new ATOM 0 HA GLN A 22 14.669 7.613 -11.515 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.034 8.254 -12.371 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.264 9.613 -13.166 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.063 10.419 -11.046 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.318 10.321 -10.923 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.955 7.235 -10.860 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.833 6.975 -9.116 1.00 0.00 H new ATOM 379 N MET A 23 13.640 9.530 -14.016 1.00 0.00 N ATOM 380 CA MET A 23 12.646 10.516 -14.407 1.00 0.00 C ATOM 381 C MET A 23 11.266 9.867 -14.516 1.00 0.00 C ATOM 382 O MET A 23 10.275 10.471 -14.105 1.00 0.00 O ATOM 383 CB MET A 23 13.083 11.178 -15.719 1.00 0.00 C ATOM 384 CG MET A 23 14.376 11.983 -15.505 1.00 0.00 C ATOM 385 SD MET A 23 15.090 12.663 -17.027 1.00 0.00 S ATOM 386 CE MET A 23 16.585 13.420 -16.336 1.00 0.00 C ATOM 0 H MET A 23 14.280 9.266 -14.765 1.00 0.00 H new ATOM 0 HA MET A 23 12.569 11.292 -13.646 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.242 10.417 -16.483 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.293 11.835 -16.084 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.171 12.802 -14.816 1.00 0.00 H new ATOM 0 HG3 MET A 23 15.115 11.341 -15.026 1.00 0.00 H new ATOM 0 HE1 MET A 23 17.156 13.892 -17.135 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.305 14.171 -15.598 1.00 0.00 H new ATOM 0 HE3 MET A 23 17.194 12.652 -15.859 1.00 0.00 H new ATOM 396 N GLU A 24 11.186 8.625 -15.002 1.00 0.00 N ATOM 397 CA GLU A 24 9.920 7.905 -15.082 1.00 0.00 C ATOM 398 C GLU A 24 9.406 7.497 -13.691 1.00 0.00 C ATOM 399 O GLU A 24 8.194 7.371 -13.511 1.00 0.00 O ATOM 400 CB GLU A 24 10.044 6.696 -16.026 1.00 0.00 C ATOM 401 CG GLU A 24 10.319 7.075 -17.496 1.00 0.00 C ATOM 402 CD GLU A 24 9.338 8.112 -18.071 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.120 8.013 -17.803 1.00 0.00 O ATOM 404 OE2 GLU A 24 9.774 9.031 -18.801 1.00 0.00 O ATOM 0 H GLU A 24 11.989 8.099 -15.346 1.00 0.00 H new ATOM 0 HA GLU A 24 9.175 8.581 -15.501 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.848 6.051 -15.671 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.124 6.114 -15.977 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.333 7.467 -17.575 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.277 6.173 -18.107 1.00 0.00 H new ATOM 411 N ALA A 25 10.283 7.332 -12.692 1.00 0.00 N ATOM 412 CA ALA A 25 9.864 7.139 -11.307 1.00 0.00 C ATOM 413 C ALA A 25 9.388 8.462 -10.709 1.00 0.00 C ATOM 414 O ALA A 25 8.358 8.503 -10.032 1.00 0.00 O ATOM 415 CB ALA A 25 11.027 6.599 -10.473 1.00 0.00 C ATOM 0 H ALA A 25 11.294 7.329 -12.824 1.00 0.00 H new ATOM 0 HA ALA A 25 9.044 6.421 -11.293 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.702 6.459 -9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.355 5.644 -10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.854 7.309 -10.499 1.00 0.00 H new ATOM 421 N ASP A 26 10.137 9.541 -10.953 1.00 0.00 N ATOM 422 CA ASP A 26 9.894 10.859 -10.376 1.00 0.00 C ATOM 423 C ASP A 26 8.578 11.452 -10.868 1.00 0.00 C ATOM 424 O ASP A 26 7.796 11.945 -10.055 1.00 0.00 O ATOM 425 CB ASP A 26 11.048 11.810 -10.705 1.00 0.00 C ATOM 426 CG ASP A 26 10.762 13.218 -10.156 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.909 13.435 -8.932 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.411 14.120 -10.948 1.00 0.00 O ATOM 0 H ASP A 26 10.947 9.518 -11.572 1.00 0.00 H new ATOM 0 HA ASP A 26 9.828 10.735 -9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.975 11.428 -10.277 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.191 11.857 -11.785 1.00 0.00 H new ATOM 433 N LYS A 27 8.267 11.331 -12.169 1.00 0.00 N ATOM 434 CA LYS A 27 6.981 11.785 -12.712 1.00 0.00 C ATOM 435 C LYS A 27 5.799 11.073 -12.055 1.00 0.00 C ATOM 436 O LYS A 27 4.685 11.598 -12.075 1.00 0.00 O ATOM 437 CB LYS A 27 6.966 11.711 -14.256 1.00 0.00 C ATOM 438 CG LYS A 27 6.812 10.310 -14.882 1.00 0.00 C ATOM 439 CD LYS A 27 5.346 9.877 -15.086 1.00 0.00 C ATOM 440 CE LYS A 27 5.196 8.468 -15.680 1.00 0.00 C ATOM 441 NZ LYS A 27 5.514 8.400 -17.126 1.00 0.00 N ATOM 0 H LYS A 27 8.892 10.921 -12.864 1.00 0.00 H new ATOM 0 HA LYS A 27 6.862 12.838 -12.457 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.151 12.337 -14.618 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.893 12.149 -14.626 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.323 10.294 -15.845 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.311 9.580 -14.244 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.828 9.915 -14.127 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.853 10.593 -15.743 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.849 7.783 -15.140 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.174 8.123 -15.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.797 7.825 -17.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.518 9.360 -17.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.451 7.967 -17.255 1.00 0.00 H new ATOM 455 N ARG A 28 6.029 9.894 -11.466 1.00 0.00 N ATOM 456 CA ARG A 28 5.013 9.077 -10.813 1.00 0.00 C ATOM 457 C ARG A 28 5.184 9.089 -9.285 1.00 0.00 C ATOM 458 O ARG A 28 4.479 8.356 -8.593 1.00 0.00 O ATOM 459 CB ARG A 28 5.075 7.661 -11.427 1.00 0.00 C ATOM 460 CG ARG A 28 3.717 6.947 -11.417 1.00 0.00 C ATOM 461 CD ARG A 28 2.762 7.517 -12.476 1.00 0.00 C ATOM 462 NE ARG A 28 1.356 7.220 -12.128 1.00 0.00 N ATOM 463 CZ ARG A 28 0.567 6.276 -12.660 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.948 5.608 -13.743 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.592 5.987 -12.083 1.00 0.00 N ATOM 0 H ARG A 28 6.958 9.474 -11.432 1.00 0.00 H new ATOM 0 HA ARG A 28 4.018 9.486 -10.987 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.436 7.731 -12.453 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.799 7.062 -10.875 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.865 5.882 -11.598 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.264 7.043 -10.430 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.902 8.595 -12.556 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.998 7.092 -13.452 1.00 0.00 H new ATOM 0 HE ARG A 28 0.939 7.800 -11.400 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.848 5.812 -14.177 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.340 4.891 -14.140 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.879 6.482 -11.239 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.196 5.270 -12.484 1.00 0.00 H new ATOM 479 N LYS A 29 6.091 9.921 -8.752 1.00 0.00 N ATOM 480 CA LYS A 29 6.442 10.032 -7.334 1.00 0.00 C ATOM 481 C LYS A 29 6.628 8.665 -6.656 1.00 0.00 C ATOM 482 O LYS A 29 6.246 8.489 -5.495 1.00 0.00 O ATOM 483 CB LYS A 29 5.441 10.958 -6.610 1.00 0.00 C ATOM 484 CG LYS A 29 5.382 12.362 -7.241 1.00 0.00 C ATOM 485 CD LYS A 29 4.514 13.345 -6.442 1.00 0.00 C ATOM 486 CE LYS A 29 3.035 12.925 -6.413 1.00 0.00 C ATOM 487 NZ LYS A 29 2.189 13.907 -5.689 1.00 0.00 N ATOM 0 H LYS A 29 6.626 10.567 -9.332 1.00 0.00 H new ATOM 0 HA LYS A 29 7.424 10.500 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.449 10.508 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.723 11.045 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.393 12.761 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.990 12.282 -8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.891 13.412 -5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.599 14.340 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.670 12.816 -7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.945 11.949 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.200 13.584 -5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.520 13.993 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.253 14.833 -6.158 1.00 0.00 H new ATOM 501 N LEU A 30 7.192 7.683 -7.371 1.00 0.00 N ATOM 502 CA LEU A 30 7.580 6.405 -6.770 1.00 0.00 C ATOM 503 C LEU A 30 8.791 6.627 -5.855 1.00 0.00 C ATOM 504 O LEU A 30 9.457 7.663 -5.944 1.00 0.00 O ATOM 505 CB LEU A 30 7.881 5.361 -7.861 1.00 0.00 C ATOM 506 CG LEU A 30 6.627 4.883 -8.621 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.041 3.978 -9.780 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.644 4.107 -7.736 1.00 0.00 C ATOM 0 H LEU A 30 7.389 7.752 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 30 6.756 6.017 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.588 5.786 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.369 4.500 -7.404 1.00 0.00 H new ATOM 0 HG LEU A 30 6.122 5.782 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.153 3.642 -10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.687 4.532 -10.461 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.579 3.113 -9.392 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.784 3.799 -8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.139 3.225 -7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.310 4.745 -6.918 1.00 0.00 H new ATOM 520 N ALA A 31 9.099 5.651 -4.998 1.00 0.00 N ATOM 521 CA ALA A 31 10.236 5.701 -4.084 1.00 0.00 C ATOM 522 C ALA A 31 11.033 4.402 -4.199 1.00 0.00 C ATOM 523 O ALA A 31 10.446 3.360 -4.501 1.00 0.00 O ATOM 524 CB ALA A 31 9.741 5.936 -2.652 1.00 0.00 C ATOM 0 H ALA A 31 8.555 4.792 -4.921 1.00 0.00 H new ATOM 0 HA ALA A 31 10.894 6.529 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.593 5.972 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.199 6.881 -2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.078 5.122 -2.358 1.00 0.00 H new ATOM 530 N GLY A 32 12.358 4.465 -4.021 1.00 0.00 N ATOM 531 CA GLY A 32 13.250 3.347 -4.316 1.00 0.00 C ATOM 532 C GLY A 32 14.555 3.806 -4.973 1.00 0.00 C ATOM 533 O GLY A 32 15.022 4.923 -4.727 1.00 0.00 O ATOM 0 H GLY A 32 12.838 5.293 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.478 2.813 -3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.742 2.643 -4.975 1.00 0.00 H new ATOM 537 N TRP A 33 15.159 2.957 -5.806 1.00 0.00 N ATOM 538 CA TRP A 33 16.413 3.257 -6.486 1.00 0.00 C ATOM 539 C TRP A 33 16.529 2.561 -7.842 1.00 0.00 C ATOM 540 O TRP A 33 15.817 1.594 -8.129 1.00 0.00 O ATOM 541 CB TRP A 33 17.602 2.870 -5.591 1.00 0.00 C ATOM 542 CG TRP A 33 17.655 1.460 -5.077 1.00 0.00 C ATOM 543 CD1 TRP A 33 17.977 0.349 -5.785 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.430 1.002 -3.708 1.00 0.00 C ATOM 545 NE1 TRP A 33 17.967 -0.751 -4.949 1.00 0.00 N ATOM 546 CE2 TRP A 33 17.679 -0.400 -3.652 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.068 1.634 -2.498 1.00 0.00 C ATOM 548 CZ2 TRP A 33 17.610 -1.131 -2.459 1.00 0.00 C ATOM 549 CZ3 TRP A 33 16.971 0.906 -1.296 1.00 0.00 C ATOM 550 CH2 TRP A 33 17.249 -0.473 -1.272 1.00 0.00 C ATOM 0 H TRP A 33 14.785 2.034 -6.027 1.00 0.00 H new ATOM 0 HA TRP A 33 16.426 4.330 -6.676 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.519 3.059 -6.150 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.609 3.541 -4.732 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.206 0.327 -6.840 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.151 -1.706 -5.257 1.00 0.00 H new ATOM 0 HE3 TRP A 33 16.862 2.694 -2.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 17.832 -2.188 -2.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 16.681 1.410 -0.386 1.00 0.00 H new ATOM 0 HH2 TRP A 33 17.185 -1.023 -0.345 1.00 0.00 H new ATOM 561 N VAL A 34 17.514 2.994 -8.630 1.00 0.00 N ATOM 562 CA VAL A 34 18.027 2.258 -9.777 1.00 0.00 C ATOM 563 C VAL A 34 19.547 2.238 -9.649 1.00 0.00 C ATOM 564 O VAL A 34 20.157 3.237 -9.264 1.00 0.00 O ATOM 565 CB VAL A 34 17.496 2.854 -11.099 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.763 4.360 -11.258 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.059 2.106 -12.317 1.00 0.00 C ATOM 0 H VAL A 34 17.985 3.886 -8.482 1.00 0.00 H new ATOM 0 HA VAL A 34 17.674 1.227 -9.795 1.00 0.00 H new ATOM 0 HB VAL A 34 16.415 2.724 -11.050 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.360 4.702 -12.211 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.282 4.903 -10.445 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.837 4.544 -11.231 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.665 2.551 -13.231 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.147 2.178 -12.318 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.765 1.058 -12.268 1.00 0.00 H new ATOM 577 N LYS A 35 20.154 1.086 -9.922 1.00 0.00 N ATOM 578 CA LYS A 35 21.558 0.810 -9.660 1.00 0.00 C ATOM 579 C LYS A 35 22.130 -0.148 -10.700 1.00 0.00 C ATOM 580 O LYS A 35 21.397 -0.840 -11.405 1.00 0.00 O ATOM 581 CB LYS A 35 21.702 0.250 -8.231 1.00 0.00 C ATOM 582 CG LYS A 35 20.875 -1.019 -7.957 1.00 0.00 C ATOM 583 CD LYS A 35 20.970 -1.478 -6.495 1.00 0.00 C ATOM 584 CE LYS A 35 22.356 -1.967 -6.065 1.00 0.00 C ATOM 585 NZ LYS A 35 22.793 -3.166 -6.819 1.00 0.00 N ATOM 0 H LYS A 35 19.665 0.297 -10.344 1.00 0.00 H new ATOM 0 HA LYS A 35 22.131 1.734 -9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 35 22.753 0.031 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.406 1.022 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 35 19.831 -0.830 -8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.219 -1.821 -8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.675 -0.651 -5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.250 -2.281 -6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.081 -1.166 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.343 -2.196 -5.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.567 -3.635 -6.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.994 -3.824 -6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.125 -2.881 -7.762 1.00 0.00 H new ATOM 599 N ASN A 36 23.457 -0.204 -10.785 1.00 0.00 N ATOM 600 CA ASN A 36 24.166 -1.301 -11.441 1.00 0.00 C ATOM 601 C ASN A 36 23.980 -2.586 -10.614 1.00 0.00 C ATOM 602 O ASN A 36 23.716 -2.517 -9.410 1.00 0.00 O ATOM 603 CB ASN A 36 25.650 -0.913 -11.551 1.00 0.00 C ATOM 604 CG ASN A 36 26.514 -2.038 -12.109 1.00 0.00 C ATOM 605 OD1 ASN A 36 26.441 -2.355 -13.291 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.331 -2.663 -11.280 1.00 0.00 N ATOM 0 H ASN A 36 24.073 0.512 -10.400 1.00 0.00 H new ATOM 0 HA ASN A 36 23.773 -1.485 -12.441 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.745 -0.036 -12.191 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.021 -0.630 -10.566 1.00 0.00 H new ATOM 0 HD21 ASN A 36 27.917 -3.426 -11.620 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.376 -2.383 -10.300 1.00 0.00 H new ATOM 613 N ARG A 37 24.169 -3.756 -11.224 1.00 0.00 N ATOM 614 CA ARG A 37 24.354 -5.034 -10.537 1.00 0.00 C ATOM 615 C ARG A 37 25.718 -5.558 -10.971 1.00 0.00 C ATOM 616 O ARG A 37 26.072 -5.414 -12.137 1.00 0.00 O ATOM 617 CB ARG A 37 23.188 -5.984 -10.884 1.00 0.00 C ATOM 618 CG ARG A 37 23.420 -7.435 -10.418 1.00 0.00 C ATOM 619 CD ARG A 37 22.124 -8.199 -10.101 1.00 0.00 C ATOM 620 NE ARG A 37 21.584 -7.834 -8.776 1.00 0.00 N ATOM 621 CZ ARG A 37 22.068 -8.197 -7.581 1.00 0.00 C ATOM 622 NH1 ARG A 37 23.054 -9.085 -7.470 1.00 0.00 N ATOM 623 NH2 ARG A 37 21.543 -7.643 -6.499 1.00 0.00 N ATOM 0 H ARG A 37 24.198 -3.843 -12.240 1.00 0.00 H new ATOM 0 HA ARG A 37 24.340 -4.939 -9.451 1.00 0.00 H new ATOM 0 HB2 ARG A 37 22.273 -5.606 -10.428 1.00 0.00 H new ATOM 0 HB3 ARG A 37 23.033 -5.977 -11.963 1.00 0.00 H new ATOM 0 HG2 ARG A 37 23.968 -7.972 -11.192 1.00 0.00 H new ATOM 0 HG3 ARG A 37 24.052 -7.425 -9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 37 21.380 -7.986 -10.868 1.00 0.00 H new ATOM 0 HD3 ARG A 37 22.317 -9.271 -10.132 1.00 0.00 H new ATOM 0 HE ARG A 37 20.753 -7.242 -8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 37 23.458 -9.505 -8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 37 23.405 -9.345 -6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 37 20.791 -6.960 -6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 37 21.891 -7.899 -5.575 1.00 0.00 H new ATOM 637 N ASP A 38 26.473 -6.167 -10.054 1.00 0.00 N ATOM 638 CA ASP A 38 27.883 -6.533 -10.252 1.00 0.00 C ATOM 639 C ASP A 38 28.115 -7.427 -11.475 1.00 0.00 C ATOM 640 O ASP A 38 29.151 -7.322 -12.130 1.00 0.00 O ATOM 641 CB ASP A 38 28.410 -7.233 -8.994 1.00 0.00 C ATOM 642 CG ASP A 38 29.876 -7.672 -9.163 1.00 0.00 C ATOM 643 OD1 ASP A 38 30.778 -6.805 -9.133 1.00 0.00 O ATOM 644 OD2 ASP A 38 30.137 -8.890 -9.285 1.00 0.00 O ATOM 0 H ASP A 38 26.117 -6.426 -9.134 1.00 0.00 H new ATOM 0 HA ASP A 38 28.427 -5.606 -10.436 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.327 -6.560 -8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.792 -8.103 -8.775 1.00 0.00 H new ATOM 649 N ASP A 39 27.135 -8.272 -11.816 1.00 0.00 N ATOM 650 CA ASP A 39 27.161 -9.122 -13.012 1.00 0.00 C ATOM 651 C ASP A 39 27.223 -8.311 -14.318 1.00 0.00 C ATOM 652 O ASP A 39 27.682 -8.820 -15.340 1.00 0.00 O ATOM 653 CB ASP A 39 25.921 -10.023 -13.017 1.00 0.00 C ATOM 654 CG ASP A 39 25.891 -10.931 -14.255 1.00 0.00 C ATOM 655 OD1 ASP A 39 26.550 -11.995 -14.247 1.00 0.00 O ATOM 656 OD2 ASP A 39 25.186 -10.584 -15.228 1.00 0.00 O ATOM 0 H ASP A 39 26.288 -8.386 -11.260 1.00 0.00 H new ATOM 0 HA ASP A 39 28.070 -9.722 -12.969 1.00 0.00 H new ATOM 0 HB2 ASP A 39 25.911 -10.635 -12.115 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.022 -9.407 -12.994 1.00 0.00 H new ATOM 661 N GLY A 40 26.770 -7.054 -14.291 1.00 0.00 N ATOM 662 CA GLY A 40 26.790 -6.100 -15.395 1.00 0.00 C ATOM 663 C GLY A 40 25.389 -5.634 -15.802 1.00 0.00 C ATOM 664 O GLY A 40 25.259 -4.862 -16.757 1.00 0.00 O ATOM 0 H GLY A 40 26.357 -6.656 -13.448 1.00 0.00 H new ATOM 0 HA2 GLY A 40 27.387 -5.234 -15.110 1.00 0.00 H new ATOM 0 HA3 GLY A 40 27.280 -6.557 -16.255 1.00 0.00 H new ATOM 668 N ARG A 41 24.329 -6.107 -15.132 1.00 0.00 N ATOM 669 CA ARG A 41 22.955 -5.743 -15.471 1.00 0.00 C ATOM 670 C ARG A 41 22.593 -4.428 -14.779 1.00 0.00 C ATOM 671 O ARG A 41 23.367 -3.911 -13.969 1.00 0.00 O ATOM 672 CB ARG A 41 21.979 -6.873 -15.079 1.00 0.00 C ATOM 673 CG ARG A 41 22.307 -8.298 -15.570 1.00 0.00 C ATOM 674 CD ARG A 41 22.828 -8.416 -17.017 1.00 0.00 C ATOM 675 NE ARG A 41 24.277 -8.691 -17.057 1.00 0.00 N ATOM 676 CZ ARG A 41 25.147 -8.362 -18.020 1.00 0.00 C ATOM 677 NH1 ARG A 41 24.754 -7.794 -19.154 1.00 0.00 N ATOM 678 NH2 ARG A 41 26.439 -8.605 -17.837 1.00 0.00 N ATOM 0 H ARG A 41 24.404 -6.750 -14.344 1.00 0.00 H new ATOM 0 HA ARG A 41 22.873 -5.604 -16.549 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.913 -6.899 -13.991 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.990 -6.608 -15.452 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.053 -8.728 -14.901 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.408 -8.907 -15.479 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.292 -9.213 -17.532 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.618 -7.492 -17.555 1.00 0.00 H new ATOM 0 HE ARG A 41 24.662 -9.191 -16.256 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.765 -7.597 -19.310 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.441 -7.555 -19.869 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.759 -9.038 -16.970 1.00 0.00 H new ATOM 0 HH22 ARG A 41 27.112 -8.359 -18.563 1.00 0.00 H new ATOM 692 N VAL A 42 21.398 -3.912 -15.051 1.00 0.00 N ATOM 693 CA VAL A 42 20.802 -2.845 -14.254 1.00 0.00 C ATOM 694 C VAL A 42 19.784 -3.513 -13.335 1.00 0.00 C ATOM 695 O VAL A 42 19.166 -4.513 -13.704 1.00 0.00 O ATOM 696 CB VAL A 42 20.201 -1.759 -15.172 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.483 -0.641 -14.398 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.326 -1.109 -15.989 1.00 0.00 C ATOM 0 H VAL A 42 20.816 -4.222 -15.829 1.00 0.00 H new ATOM 0 HA VAL A 42 21.536 -2.318 -13.644 1.00 0.00 H new ATOM 0 HB VAL A 42 19.468 -2.259 -15.805 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.084 0.090 -15.101 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.667 -1.068 -13.816 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.189 -0.151 -13.728 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.907 -0.341 -16.639 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.051 -0.656 -15.313 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.820 -1.868 -16.596 1.00 0.00 H new ATOM 708 N GLU A 43 19.610 -2.958 -12.142 1.00 0.00 N ATOM 709 CA GLU A 43 18.718 -3.438 -11.106 1.00 0.00 C ATOM 710 C GLU A 43 17.955 -2.219 -10.596 1.00 0.00 C ATOM 711 O GLU A 43 18.519 -1.141 -10.415 1.00 0.00 O ATOM 712 CB GLU A 43 19.555 -4.138 -10.024 1.00 0.00 C ATOM 713 CG GLU A 43 18.817 -4.371 -8.698 1.00 0.00 C ATOM 714 CD GLU A 43 19.630 -5.296 -7.790 1.00 0.00 C ATOM 715 OE1 GLU A 43 20.647 -4.864 -7.205 1.00 0.00 O ATOM 716 OE2 GLU A 43 19.302 -6.500 -7.693 1.00 0.00 O ATOM 0 H GLU A 43 20.116 -2.118 -11.861 1.00 0.00 H new ATOM 0 HA GLU A 43 17.997 -4.175 -11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.894 -5.099 -10.410 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.446 -3.541 -9.829 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.646 -3.418 -8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.838 -4.810 -8.892 1.00 0.00 H new ATOM 723 N ILE A 44 16.654 -2.376 -10.401 1.00 0.00 N ATOM 724 CA ILE A 44 15.714 -1.329 -10.049 1.00 0.00 C ATOM 725 C ILE A 44 14.930 -1.900 -8.875 1.00 0.00 C ATOM 726 O ILE A 44 14.635 -3.096 -8.859 1.00 0.00 O ATOM 727 CB ILE A 44 14.795 -1.045 -11.262 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.586 -0.683 -12.542 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.787 0.080 -10.956 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.803 -1.024 -13.802 1.00 0.00 C ATOM 0 H ILE A 44 16.204 -3.287 -10.490 1.00 0.00 H new ATOM 0 HA ILE A 44 16.190 -0.385 -9.785 1.00 0.00 H new ATOM 0 HB ILE A 44 14.258 -1.975 -11.447 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.821 0.381 -12.536 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.535 -1.219 -12.547 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.158 0.253 -11.829 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.163 -0.211 -10.111 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.326 0.995 -10.711 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.391 -0.755 -14.680 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.591 -2.093 -13.821 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.865 -0.468 -13.809 1.00 0.00 H new ATOM 742 N LEU A 45 14.565 -1.069 -7.908 1.00 0.00 N ATOM 743 CA LEU A 45 13.733 -1.470 -6.787 1.00 0.00 C ATOM 744 C LEU A 45 12.819 -0.290 -6.519 1.00 0.00 C ATOM 745 O LEU A 45 13.310 0.829 -6.384 1.00 0.00 O ATOM 746 CB LEU A 45 14.628 -1.832 -5.589 1.00 0.00 C ATOM 747 CG LEU A 45 13.969 -2.807 -4.598 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.028 -3.290 -3.604 1.00 0.00 C ATOM 749 CD2 LEU A 45 12.800 -2.200 -3.813 1.00 0.00 C ATOM 0 H LEU A 45 14.842 -0.088 -7.882 1.00 0.00 H new ATOM 0 HA LEU A 45 13.134 -2.359 -6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.554 -2.273 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.899 -0.918 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 45 13.559 -3.625 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.573 -3.982 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.829 -3.796 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.437 -2.436 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.389 -2.949 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.154 -1.345 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.026 -1.874 -4.507 1.00 0.00 H new ATOM 761 N ALA A 46 11.508 -0.516 -6.495 1.00 0.00 N ATOM 762 CA ALA A 46 10.524 0.539 -6.338 1.00 0.00 C ATOM 763 C ALA A 46 9.388 0.048 -5.454 1.00 0.00 C ATOM 764 O ALA A 46 9.064 -1.142 -5.443 1.00 0.00 O ATOM 765 CB ALA A 46 9.985 0.957 -7.712 1.00 0.00 C ATOM 0 H ALA A 46 11.100 -1.447 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 46 10.992 1.404 -5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.247 1.749 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.806 1.320 -8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.518 0.099 -8.196 1.00 0.00 H new ATOM 771 N GLU A 47 8.746 0.986 -4.769 1.00 0.00 N ATOM 772 CA GLU A 47 7.509 0.791 -4.036 1.00 0.00 C ATOM 773 C GLU A 47 6.546 1.930 -4.374 1.00 0.00 C ATOM 774 O GLU A 47 6.978 3.028 -4.746 1.00 0.00 O ATOM 775 CB GLU A 47 7.785 0.704 -2.526 1.00 0.00 C ATOM 776 CG GLU A 47 8.440 1.976 -1.956 1.00 0.00 C ATOM 777 CD GLU A 47 8.574 1.974 -0.430 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.446 0.907 0.204 1.00 0.00 O ATOM 779 OE2 GLU A 47 8.851 3.053 0.136 1.00 0.00 O ATOM 0 H GLU A 47 9.091 1.944 -4.709 1.00 0.00 H new ATOM 0 HA GLU A 47 7.048 -0.152 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.847 0.519 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.433 -0.150 -2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.430 2.093 -2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.852 2.843 -2.258 1.00 0.00 H new ATOM 786 N GLY A 48 5.243 1.669 -4.246 1.00 0.00 N ATOM 787 CA GLY A 48 4.204 2.641 -4.559 1.00 0.00 C ATOM 788 C GLY A 48 2.835 1.984 -4.730 1.00 0.00 C ATOM 789 O GLY A 48 2.684 0.798 -4.423 1.00 0.00 O ATOM 0 H GLY A 48 4.882 0.772 -3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.152 3.384 -3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.468 3.171 -5.474 1.00 0.00 H new ATOM 793 N PRO A 49 1.825 2.742 -5.195 1.00 0.00 N ATOM 794 CA PRO A 49 0.550 2.202 -5.659 1.00 0.00 C ATOM 795 C PRO A 49 0.753 1.159 -6.763 1.00 0.00 C ATOM 796 O PRO A 49 1.645 1.302 -7.602 1.00 0.00 O ATOM 797 CB PRO A 49 -0.247 3.404 -6.185 1.00 0.00 C ATOM 798 CG PRO A 49 0.398 4.608 -5.501 1.00 0.00 C ATOM 799 CD PRO A 49 1.857 4.187 -5.360 1.00 0.00 C ATOM 0 HA PRO A 49 0.024 1.691 -4.853 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.183 3.481 -7.270 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.304 3.322 -5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.296 5.514 -6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.058 4.813 -4.532 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.435 4.470 -6.240 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.325 4.671 -4.503 1.00 0.00 H new ATOM 807 N GLU A 50 -0.107 0.140 -6.819 1.00 0.00 N ATOM 808 CA GLU A 50 0.043 -0.952 -7.781 1.00 0.00 C ATOM 809 C GLU A 50 -0.154 -0.485 -9.229 1.00 0.00 C ATOM 810 O GLU A 50 0.497 -1.016 -10.129 1.00 0.00 O ATOM 811 CB GLU A 50 -0.882 -2.127 -7.415 1.00 0.00 C ATOM 812 CG GLU A 50 -2.385 -1.816 -7.521 1.00 0.00 C ATOM 813 CD GLU A 50 -3.242 -3.015 -7.076 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.560 -3.887 -7.916 1.00 0.00 O ATOM 815 OE2 GLU A 50 -3.626 -3.087 -5.886 1.00 0.00 O ATOM 0 H GLU A 50 -0.917 0.049 -6.206 1.00 0.00 H new ATOM 0 HA GLU A 50 1.072 -1.308 -7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.652 -2.970 -8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.661 -2.443 -6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.623 -0.949 -6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.632 -1.553 -8.550 1.00 0.00 H new ATOM 822 N ASN A 51 -1.019 0.504 -9.488 1.00 0.00 N ATOM 823 CA ASN A 51 -1.213 1.028 -10.846 1.00 0.00 C ATOM 824 C ASN A 51 0.018 1.811 -11.297 1.00 0.00 C ATOM 825 O ASN A 51 0.482 1.643 -12.427 1.00 0.00 O ATOM 826 CB ASN A 51 -2.454 1.930 -10.922 1.00 0.00 C ATOM 827 CG ASN A 51 -2.576 2.554 -12.312 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.131 3.676 -12.541 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.154 1.848 -13.268 1.00 0.00 N ATOM 0 H ASN A 51 -1.594 0.956 -8.777 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.362 0.177 -11.510 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.348 1.348 -10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.387 2.715 -10.169 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.235 2.233 -14.209 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.519 0.918 -13.065 1.00 0.00 H new ATOM 836 N ALA A 52 0.563 2.643 -10.404 1.00 0.00 N ATOM 837 CA ALA A 52 1.776 3.406 -10.660 1.00 0.00 C ATOM 838 C ALA A 52 2.933 2.454 -10.951 1.00 0.00 C ATOM 839 O ALA A 52 3.656 2.644 -11.926 1.00 0.00 O ATOM 840 CB ALA A 52 2.083 4.301 -9.454 1.00 0.00 C ATOM 0 H ALA A 52 0.167 2.803 -9.478 1.00 0.00 H new ATOM 0 HA ALA A 52 1.635 4.044 -11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.991 4.872 -9.646 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.252 4.986 -9.289 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.224 3.682 -8.568 1.00 0.00 H new ATOM 846 N LEU A 53 3.075 1.406 -10.136 1.00 0.00 N ATOM 847 CA LEU A 53 4.122 0.412 -10.296 1.00 0.00 C ATOM 848 C LEU A 53 3.970 -0.353 -11.607 1.00 0.00 C ATOM 849 O LEU A 53 4.966 -0.518 -12.304 1.00 0.00 O ATOM 850 CB LEU A 53 4.117 -0.538 -9.091 1.00 0.00 C ATOM 851 CG LEU A 53 4.817 0.037 -7.844 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.564 -0.913 -6.675 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.334 0.203 -8.011 1.00 0.00 C ATOM 0 H LEU A 53 2.459 1.228 -9.343 1.00 0.00 H new ATOM 0 HA LEU A 53 5.085 0.922 -10.338 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.086 -0.783 -8.837 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.606 -1.471 -9.373 1.00 0.00 H new ATOM 0 HG LEU A 53 4.404 1.031 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.051 -0.526 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.492 -0.995 -6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.969 -1.897 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.758 0.612 -7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.786 -0.767 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.537 0.882 -8.839 1.00 0.00 H new ATOM 865 N GLN A 54 2.770 -0.796 -11.993 1.00 0.00 N ATOM 866 CA GLN A 54 2.579 -1.508 -13.262 1.00 0.00 C ATOM 867 C GLN A 54 2.907 -0.600 -14.455 1.00 0.00 C ATOM 868 O GLN A 54 3.616 -1.014 -15.377 1.00 0.00 O ATOM 869 CB GLN A 54 1.143 -2.047 -13.351 1.00 0.00 C ATOM 870 CG GLN A 54 0.960 -3.291 -12.468 1.00 0.00 C ATOM 871 CD GLN A 54 -0.517 -3.647 -12.307 1.00 0.00 C ATOM 872 OE1 GLN A 54 -1.057 -4.504 -13.004 1.00 0.00 O ATOM 873 NE2 GLN A 54 -1.199 -2.987 -11.386 1.00 0.00 N ATOM 0 H GLN A 54 1.917 -0.675 -11.447 1.00 0.00 H new ATOM 0 HA GLN A 54 3.267 -2.353 -13.296 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.441 -1.272 -13.042 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.908 -2.295 -14.386 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.493 -4.134 -12.909 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.402 -3.112 -11.488 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.735 -2.279 -10.817 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.189 -3.186 -11.245 1.00 0.00 H new ATOM 882 N SER A 55 2.464 0.659 -14.405 1.00 0.00 N ATOM 883 CA SER A 55 2.813 1.653 -15.416 1.00 0.00 C ATOM 884 C SER A 55 4.338 1.820 -15.489 1.00 0.00 C ATOM 885 O SER A 55 4.913 1.939 -16.572 1.00 0.00 O ATOM 886 CB SER A 55 2.147 2.992 -15.081 1.00 0.00 C ATOM 887 OG SER A 55 0.749 2.873 -14.851 1.00 0.00 O ATOM 0 H SER A 55 1.857 1.014 -13.666 1.00 0.00 H new ATOM 0 HA SER A 55 2.454 1.314 -16.387 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.621 3.416 -14.196 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.317 3.691 -15.900 1.00 0.00 H new ATOM 0 HG SER A 55 0.594 2.537 -13.944 1.00 0.00 H new ATOM 893 N PHE A 56 5.008 1.790 -14.338 1.00 0.00 N ATOM 894 CA PHE A 56 6.450 1.875 -14.263 1.00 0.00 C ATOM 895 C PHE A 56 7.119 0.600 -14.794 1.00 0.00 C ATOM 896 O PHE A 56 8.178 0.726 -15.401 1.00 0.00 O ATOM 897 CB PHE A 56 6.856 2.257 -12.834 1.00 0.00 C ATOM 898 CG PHE A 56 8.314 2.617 -12.640 1.00 0.00 C ATOM 899 CD1 PHE A 56 8.879 3.684 -13.366 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.089 1.941 -11.677 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.223 4.034 -13.156 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.425 2.308 -11.454 1.00 0.00 C ATOM 903 CZ PHE A 56 10.988 3.356 -12.193 1.00 0.00 C ATOM 0 H PHE A 56 4.554 1.705 -13.429 1.00 0.00 H new ATOM 0 HA PHE A 56 6.815 2.664 -14.921 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.246 3.103 -12.517 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.615 1.425 -12.173 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.281 4.230 -14.081 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.652 1.135 -11.107 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.670 4.827 -13.737 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.016 1.785 -10.716 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.015 3.644 -12.022 1.00 0.00 H new ATOM 913 N VAL A 57 6.512 -0.596 -14.702 1.00 0.00 N ATOM 914 CA VAL A 57 7.029 -1.766 -15.425 1.00 0.00 C ATOM 915 C VAL A 57 6.958 -1.483 -16.922 1.00 0.00 C ATOM 916 O VAL A 57 7.935 -1.737 -17.620 1.00 0.00 O ATOM 917 CB VAL A 57 6.303 -3.095 -15.108 1.00 0.00 C ATOM 918 CG1 VAL A 57 7.035 -4.279 -15.765 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.225 -3.397 -13.611 1.00 0.00 C ATOM 0 H VAL A 57 5.677 -0.775 -14.144 1.00 0.00 H new ATOM 0 HA VAL A 57 8.055 -1.911 -15.088 1.00 0.00 H new ATOM 0 HB VAL A 57 5.293 -2.973 -15.500 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.511 -5.206 -15.532 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.059 -4.138 -16.846 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.055 -4.333 -15.384 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.704 -4.342 -13.457 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.233 -3.467 -13.201 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.682 -2.598 -13.106 1.00 0.00 H new ATOM 929 N GLU A 58 5.842 -0.940 -17.424 1.00 0.00 N ATOM 930 CA GLU A 58 5.713 -0.647 -18.850 1.00 0.00 C ATOM 931 C GLU A 58 6.787 0.352 -19.304 1.00 0.00 C ATOM 932 O GLU A 58 7.349 0.193 -20.389 1.00 0.00 O ATOM 933 CB GLU A 58 4.298 -0.165 -19.206 1.00 0.00 C ATOM 934 CG GLU A 58 3.259 -1.285 -19.059 1.00 0.00 C ATOM 935 CD GLU A 58 1.862 -0.821 -19.507 1.00 0.00 C ATOM 936 OE1 GLU A 58 1.091 -0.287 -18.677 1.00 0.00 O ATOM 937 OE2 GLU A 58 1.510 -1.005 -20.695 1.00 0.00 O ATOM 0 H GLU A 58 5.023 -0.698 -16.866 1.00 0.00 H new ATOM 0 HA GLU A 58 5.875 -1.577 -19.396 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.026 0.670 -18.561 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.288 0.207 -20.230 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.565 -2.147 -19.652 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.219 -1.612 -18.020 1.00 0.00 H new ATOM 944 N ALA A 59 7.121 1.340 -18.466 1.00 0.00 N ATOM 945 CA ALA A 59 8.225 2.251 -18.729 1.00 0.00 C ATOM 946 C ALA A 59 9.573 1.512 -18.726 1.00 0.00 C ATOM 947 O ALA A 59 10.365 1.664 -19.656 1.00 0.00 O ATOM 948 CB ALA A 59 8.225 3.393 -17.703 1.00 0.00 C ATOM 0 H ALA A 59 6.631 1.525 -17.591 1.00 0.00 H new ATOM 0 HA ALA A 59 8.087 2.675 -19.724 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.055 4.068 -17.910 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.286 3.942 -17.770 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.334 2.981 -16.700 1.00 0.00 H new ATOM 954 N VAL A 60 9.842 0.707 -17.695 1.00 0.00 N ATOM 955 CA VAL A 60 11.120 0.039 -17.487 1.00 0.00 C ATOM 956 C VAL A 60 11.392 -0.983 -18.594 1.00 0.00 C ATOM 957 O VAL A 60 12.495 -0.994 -19.143 1.00 0.00 O ATOM 958 CB VAL A 60 11.127 -0.577 -16.068 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.197 -1.656 -15.867 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.359 0.527 -15.020 1.00 0.00 C ATOM 0 H VAL A 60 9.158 0.500 -16.967 1.00 0.00 H new ATOM 0 HA VAL A 60 11.940 0.755 -17.548 1.00 0.00 H new ATOM 0 HB VAL A 60 10.153 -1.051 -15.946 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.140 -2.040 -14.849 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.029 -2.470 -16.572 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.184 -1.226 -16.037 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.363 0.087 -14.023 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.318 1.011 -15.207 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.561 1.266 -15.087 1.00 0.00 H new ATOM 970 N LYS A 61 10.417 -1.826 -18.955 1.00 0.00 N ATOM 971 CA LYS A 61 10.638 -2.915 -19.910 1.00 0.00 C ATOM 972 C LYS A 61 10.991 -2.391 -21.307 1.00 0.00 C ATOM 973 O LYS A 61 11.620 -3.114 -22.079 1.00 0.00 O ATOM 974 CB LYS A 61 9.436 -3.879 -19.934 1.00 0.00 C ATOM 975 CG LYS A 61 8.174 -3.338 -20.628 1.00 0.00 C ATOM 976 CD LYS A 61 7.044 -4.378 -20.585 1.00 0.00 C ATOM 977 CE LYS A 61 5.843 -3.908 -21.421 1.00 0.00 C ATOM 978 NZ LYS A 61 4.743 -4.905 -21.433 1.00 0.00 N ATOM 0 H LYS A 61 9.463 -1.773 -18.597 1.00 0.00 H new ATOM 0 HA LYS A 61 11.504 -3.483 -19.570 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.739 -4.799 -20.433 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.182 -4.142 -18.907 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.849 -2.420 -20.139 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.402 -3.084 -21.663 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.407 -5.333 -20.965 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.733 -4.543 -19.553 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.471 -2.964 -21.021 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.168 -3.715 -22.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.955 -4.546 -22.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.088 -5.798 -21.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.414 -5.071 -20.460 1.00 0.00 H new ATOM 992 N ASN A 62 10.607 -1.151 -21.638 1.00 0.00 N ATOM 993 CA ASN A 62 10.986 -0.511 -22.898 1.00 0.00 C ATOM 994 C ASN A 62 12.495 -0.256 -22.968 1.00 0.00 C ATOM 995 O ASN A 62 13.060 -0.211 -24.061 1.00 0.00 O ATOM 996 CB ASN A 62 10.244 0.827 -23.061 1.00 0.00 C ATOM 997 CG ASN A 62 10.524 1.456 -24.423 1.00 0.00 C ATOM 998 OD1 ASN A 62 9.974 1.036 -25.437 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.365 2.475 -24.477 1.00 0.00 N ATOM 0 H ASN A 62 10.025 -0.566 -21.038 1.00 0.00 H new ATOM 0 HA ASN A 62 10.709 -1.191 -23.704 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.172 0.667 -22.946 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.550 1.513 -22.272 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.565 2.924 -25.371 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.814 2.812 -23.625 1.00 0.00 H new ATOM 1006 N GLY A 63 13.149 -0.062 -21.818 1.00 0.00 N ATOM 1007 CA GLY A 63 14.409 0.661 -21.749 1.00 0.00 C ATOM 1008 C GLY A 63 14.156 2.151 -21.986 1.00 0.00 C ATOM 1009 O GLY A 63 13.008 2.569 -22.178 1.00 0.00 O ATOM 0 H GLY A 63 12.816 -0.403 -20.916 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.874 0.511 -20.775 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.103 0.276 -22.496 1.00 0.00 H new ATOM 1013 N SER A 64 15.206 2.971 -22.016 1.00 0.00 N ATOM 1014 CA SER A 64 15.066 4.269 -22.662 1.00 0.00 C ATOM 1015 C SER A 64 14.865 4.037 -24.168 1.00 0.00 C ATOM 1016 O SER A 64 15.283 2.998 -24.686 1.00 0.00 O ATOM 1017 CB SER A 64 16.291 5.143 -22.380 1.00 0.00 C ATOM 1018 OG SER A 64 17.464 4.586 -22.947 1.00 0.00 O ATOM 0 H SER A 64 16.124 2.771 -21.619 1.00 0.00 H new ATOM 0 HA SER A 64 14.202 4.801 -22.264 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.128 6.142 -22.785 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.422 5.253 -21.303 1.00 0.00 H new ATOM 0 HG SER A 64 18.229 5.166 -22.752 1.00 0.00 H new ATOM 1024 N PRO A 65 14.316 5.006 -24.915 1.00 0.00 N ATOM 1025 CA PRO A 65 14.400 5.044 -26.371 1.00 0.00 C ATOM 1026 C PRO A 65 15.812 4.793 -26.938 1.00 0.00 C ATOM 1027 O PRO A 65 15.932 4.300 -28.063 1.00 0.00 O ATOM 1028 CB PRO A 65 13.872 6.428 -26.755 1.00 0.00 C ATOM 1029 CG PRO A 65 12.856 6.730 -25.653 1.00 0.00 C ATOM 1030 CD PRO A 65 13.466 6.072 -24.415 1.00 0.00 C ATOM 0 HA PRO A 65 13.817 4.230 -26.802 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.670 7.170 -26.782 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.408 6.423 -27.741 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.723 7.803 -25.513 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.876 6.315 -25.886 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.042 6.791 -23.833 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.690 5.679 -23.758 1.00 0.00 H new ATOM 1038 N PHE A 66 16.876 5.113 -26.187 1.00 0.00 N ATOM 1039 CA PHE A 66 18.259 4.859 -26.594 1.00 0.00 C ATOM 1040 C PHE A 66 18.687 3.416 -26.296 1.00 0.00 C ATOM 1041 O PHE A 66 19.578 2.889 -26.968 1.00 0.00 O ATOM 1042 CB PHE A 66 19.198 5.833 -25.866 1.00 0.00 C ATOM 1043 CG PHE A 66 18.806 7.295 -25.993 1.00 0.00 C ATOM 1044 CD1 PHE A 66 19.000 7.975 -27.211 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.225 7.972 -24.902 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.615 9.321 -27.339 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.838 9.319 -25.031 1.00 0.00 C ATOM 1048 CZ PHE A 66 18.033 9.994 -26.249 1.00 0.00 C ATOM 0 H PHE A 66 16.796 5.559 -25.273 1.00 0.00 H new ATOM 0 HA PHE A 66 18.321 5.010 -27.672 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.228 5.568 -24.809 1.00 0.00 H new ATOM 0 HB3 PHE A 66 20.208 5.705 -26.256 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.446 7.461 -28.049 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.076 7.456 -23.965 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.766 9.839 -28.275 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.391 9.835 -24.194 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.736 11.028 -26.348 1.00 0.00 H new ATOM 1058 N SER A 67 18.085 2.774 -25.294 1.00 0.00 N ATOM 1059 CA SER A 67 18.412 1.415 -24.889 1.00 0.00 C ATOM 1060 C SER A 67 17.924 0.389 -25.922 1.00 0.00 C ATOM 1061 O SER A 67 17.144 0.704 -26.826 1.00 0.00 O ATOM 1062 CB SER A 67 17.759 1.123 -23.532 1.00 0.00 C ATOM 1063 OG SER A 67 18.172 2.023 -22.519 1.00 0.00 O ATOM 0 H SER A 67 17.344 3.195 -24.734 1.00 0.00 H new ATOM 0 HA SER A 67 19.496 1.331 -24.815 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.675 1.174 -23.637 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.002 0.105 -23.228 1.00 0.00 H new ATOM 0 HG SER A 67 17.965 2.941 -22.793 1.00 0.00 H new ATOM 1069 N LYS A 68 18.336 -0.867 -25.737 1.00 0.00 N ATOM 1070 CA LYS A 68 17.779 -2.037 -26.407 1.00 0.00 C ATOM 1071 C LYS A 68 17.772 -3.149 -25.369 1.00 0.00 C ATOM 1072 O LYS A 68 18.767 -3.857 -25.221 1.00 0.00 O ATOM 1073 CB LYS A 68 18.583 -2.363 -27.684 1.00 0.00 C ATOM 1074 CG LYS A 68 17.901 -3.367 -28.629 1.00 0.00 C ATOM 1075 CD LYS A 68 18.060 -4.844 -28.230 1.00 0.00 C ATOM 1076 CE LYS A 68 17.417 -5.800 -29.250 1.00 0.00 C ATOM 1077 NZ LYS A 68 18.129 -5.834 -30.554 1.00 0.00 N ATOM 0 H LYS A 68 19.092 -1.102 -25.094 1.00 0.00 H new ATOM 0 HA LYS A 68 16.761 -1.878 -26.763 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.766 -1.437 -28.229 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.556 -2.760 -27.394 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.838 -3.132 -28.679 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.305 -3.231 -29.632 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.120 -5.079 -28.134 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.608 -5.004 -27.251 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.394 -6.806 -28.830 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.382 -5.500 -29.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.677 -6.533 -31.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.086 -4.894 -30.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.123 -6.099 -30.400 1.00 0.00 H new ATOM 1091 N VAL A 69 16.693 -3.244 -24.594 1.00 0.00 N ATOM 1092 CA VAL A 69 16.490 -4.330 -23.641 1.00 0.00 C ATOM 1093 C VAL A 69 16.416 -5.640 -24.432 1.00 0.00 C ATOM 1094 O VAL A 69 15.727 -5.706 -25.454 1.00 0.00 O ATOM 1095 CB VAL A 69 15.203 -4.087 -22.821 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.925 -5.207 -21.806 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.275 -2.757 -22.056 1.00 0.00 C ATOM 0 H VAL A 69 15.932 -2.565 -24.611 1.00 0.00 H new ATOM 0 HA VAL A 69 17.315 -4.382 -22.931 1.00 0.00 H new ATOM 0 HB VAL A 69 14.392 -4.064 -23.549 1.00 0.00 H new ATOM 0 HG11 VAL A 69 14.009 -4.983 -21.259 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.811 -6.155 -22.332 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.757 -5.279 -21.106 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.356 -2.614 -21.488 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.124 -2.776 -21.373 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.397 -1.937 -22.763 1.00 0.00 H new ATOM 1107 N THR A 70 17.090 -6.682 -23.951 1.00 0.00 N ATOM 1108 CA THR A 70 17.021 -8.026 -24.504 1.00 0.00 C ATOM 1109 C THR A 70 16.294 -8.968 -23.535 1.00 0.00 C ATOM 1110 O THR A 70 15.669 -9.931 -23.986 1.00 0.00 O ATOM 1111 CB THR A 70 18.442 -8.520 -24.830 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.277 -8.397 -23.695 1.00 0.00 O ATOM 1113 CG2 THR A 70 19.067 -7.709 -25.972 1.00 0.00 C ATOM 0 H THR A 70 17.713 -6.610 -23.147 1.00 0.00 H new ATOM 0 HA THR A 70 16.446 -8.013 -25.430 1.00 0.00 H new ATOM 0 HB THR A 70 18.359 -9.564 -25.131 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.177 -8.716 -23.915 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.070 -8.083 -26.177 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.453 -7.808 -26.867 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.123 -6.659 -25.684 1.00 0.00 H new ATOM 1121 N ASP A 71 16.321 -8.693 -22.223 1.00 0.00 N ATOM 1122 CA ASP A 71 15.699 -9.533 -21.199 1.00 0.00 C ATOM 1123 C ASP A 71 15.460 -8.720 -19.925 1.00 0.00 C ATOM 1124 O ASP A 71 16.243 -7.818 -19.614 1.00 0.00 O ATOM 1125 CB ASP A 71 16.631 -10.714 -20.885 1.00 0.00 C ATOM 1126 CG ASP A 71 16.030 -11.653 -19.829 1.00 0.00 C ATOM 1127 OD1 ASP A 71 14.957 -12.243 -20.090 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.653 -11.843 -18.762 1.00 0.00 O ATOM 0 H ASP A 71 16.783 -7.868 -21.842 1.00 0.00 H new ATOM 0 HA ASP A 71 14.742 -9.902 -21.568 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.828 -11.274 -21.799 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.590 -10.336 -20.531 1.00 0.00 H new ATOM 1133 N ILE A 72 14.407 -9.058 -19.174 1.00 0.00 N ATOM 1134 CA ILE A 72 14.123 -8.534 -17.837 1.00 0.00 C ATOM 1135 C ILE A 72 13.809 -9.705 -16.886 1.00 0.00 C ATOM 1136 O ILE A 72 13.415 -10.785 -17.336 1.00 0.00 O ATOM 1137 CB ILE A 72 12.987 -7.471 -17.869 1.00 0.00 C ATOM 1138 CG1 ILE A 72 11.575 -8.093 -18.011 1.00 0.00 C ATOM 1139 CG2 ILE A 72 13.247 -6.437 -18.976 1.00 0.00 C ATOM 1140 CD1 ILE A 72 10.435 -7.068 -17.982 1.00 0.00 C ATOM 0 H ILE A 72 13.706 -9.727 -19.492 1.00 0.00 H new ATOM 0 HA ILE A 72 15.005 -8.016 -17.460 1.00 0.00 H new ATOM 0 HB ILE A 72 13.002 -6.968 -16.902 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.527 -8.648 -18.948 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.424 -8.812 -17.206 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.442 -5.702 -18.983 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.196 -5.935 -18.789 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.287 -6.940 -19.942 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.480 -7.583 -18.087 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.454 -6.529 -17.035 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.559 -6.363 -18.804 1.00 0.00 H new ATOM 1152 N SER A 73 13.913 -9.471 -15.577 1.00 0.00 N ATOM 1153 CA SER A 73 13.545 -10.408 -14.514 1.00 0.00 C ATOM 1154 C SER A 73 12.901 -9.611 -13.375 1.00 0.00 C ATOM 1155 O SER A 73 13.143 -8.408 -13.276 1.00 0.00 O ATOM 1156 CB SER A 73 14.791 -11.151 -14.006 1.00 0.00 C ATOM 1157 OG SER A 73 15.557 -11.718 -15.059 1.00 0.00 O ATOM 0 H SER A 73 14.270 -8.588 -15.213 1.00 0.00 H new ATOM 0 HA SER A 73 12.842 -11.149 -14.895 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.415 -10.460 -13.439 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.484 -11.940 -13.320 1.00 0.00 H new ATOM 0 HG SER A 73 16.338 -12.177 -14.685 1.00 0.00 H new ATOM 1163 N VAL A 74 12.096 -10.247 -12.518 1.00 0.00 N ATOM 1164 CA VAL A 74 11.264 -9.562 -11.525 1.00 0.00 C ATOM 1165 C VAL A 74 11.293 -10.342 -10.199 1.00 0.00 C ATOM 1166 O VAL A 74 11.357 -11.574 -10.192 1.00 0.00 O ATOM 1167 CB VAL A 74 9.821 -9.396 -12.073 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.926 -8.577 -11.129 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.784 -8.725 -13.459 1.00 0.00 C ATOM 0 H VAL A 74 12.003 -11.262 -12.494 1.00 0.00 H new ATOM 0 HA VAL A 74 11.658 -8.565 -11.331 1.00 0.00 H new ATOM 0 HB VAL A 74 9.439 -10.414 -12.153 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.928 -8.490 -11.558 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.863 -9.077 -10.162 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.352 -7.582 -10.996 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.750 -8.635 -13.792 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.232 -7.734 -13.395 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.343 -9.331 -14.172 1.00 0.00 H new ATOM 1179 N THR A 75 11.211 -9.612 -9.086 1.00 0.00 N ATOM 1180 CA THR A 75 10.972 -10.097 -7.728 1.00 0.00 C ATOM 1181 C THR A 75 9.852 -9.205 -7.168 1.00 0.00 C ATOM 1182 O THR A 75 9.789 -8.025 -7.520 1.00 0.00 O ATOM 1183 CB THR A 75 12.250 -9.956 -6.868 1.00 0.00 C ATOM 1184 OG1 THR A 75 13.452 -10.051 -7.624 1.00 0.00 O ATOM 1185 CG2 THR A 75 12.322 -11.010 -5.764 1.00 0.00 C ATOM 0 H THR A 75 11.317 -8.598 -9.112 1.00 0.00 H new ATOM 0 HA THR A 75 10.697 -11.152 -7.719 1.00 0.00 H new ATOM 0 HB THR A 75 12.173 -8.957 -6.438 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.492 -10.924 -8.067 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.236 -10.871 -5.187 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.459 -10.908 -5.106 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.322 -12.005 -6.210 1.00 0.00 H new ATOM 1193 N GLU A 76 8.987 -9.709 -6.287 1.00 0.00 N ATOM 1194 CA GLU A 76 7.880 -8.944 -5.706 1.00 0.00 C ATOM 1195 C GLU A 76 7.877 -9.179 -4.196 1.00 0.00 C ATOM 1196 O GLU A 76 8.354 -10.219 -3.728 1.00 0.00 O ATOM 1197 CB GLU A 76 6.540 -9.368 -6.335 1.00 0.00 C ATOM 1198 CG GLU A 76 6.444 -9.021 -7.828 1.00 0.00 C ATOM 1199 CD GLU A 76 5.071 -9.403 -8.407 1.00 0.00 C ATOM 1200 OE1 GLU A 76 4.889 -10.563 -8.843 1.00 0.00 O ATOM 1201 OE2 GLU A 76 4.161 -8.546 -8.448 1.00 0.00 O ATOM 0 H GLU A 76 9.035 -10.671 -5.952 1.00 0.00 H new ATOM 0 HA GLU A 76 8.011 -7.881 -5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.409 -10.443 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.724 -8.882 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.614 -7.953 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.229 -9.543 -8.375 1.00 0.00 H new ATOM 1208 N SER A 77 7.389 -8.211 -3.418 1.00 0.00 N ATOM 1209 CA SER A 77 7.401 -8.244 -1.956 1.00 0.00 C ATOM 1210 C SER A 77 6.368 -7.253 -1.403 1.00 0.00 C ATOM 1211 O SER A 77 5.842 -6.413 -2.135 1.00 0.00 O ATOM 1212 CB SER A 77 8.815 -7.874 -1.472 1.00 0.00 C ATOM 1213 OG SER A 77 9.737 -8.906 -1.776 1.00 0.00 O ATOM 0 H SER A 77 6.965 -7.364 -3.796 1.00 0.00 H new ATOM 0 HA SER A 77 7.141 -9.241 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.134 -6.945 -1.944 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.802 -7.697 -0.396 1.00 0.00 H new ATOM 0 HG SER A 77 9.313 -9.558 -2.373 1.00 0.00 H new ATOM 1219 N ARG A 78 6.096 -7.329 -0.096 1.00 0.00 N ATOM 1220 CA ARG A 78 5.391 -6.293 0.657 1.00 0.00 C ATOM 1221 C ARG A 78 6.079 -6.188 2.023 1.00 0.00 C ATOM 1222 O ARG A 78 5.505 -6.500 3.067 1.00 0.00 O ATOM 1223 CB ARG A 78 3.872 -6.556 0.692 1.00 0.00 C ATOM 1224 CG ARG A 78 3.115 -5.349 1.274 1.00 0.00 C ATOM 1225 CD ARG A 78 1.592 -5.518 1.221 1.00 0.00 C ATOM 1226 NE ARG A 78 1.039 -5.085 -0.075 1.00 0.00 N ATOM 1227 CZ ARG A 78 0.300 -5.796 -0.933 1.00 0.00 C ATOM 1228 NH1 ARG A 78 0.052 -7.089 -0.734 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -0.189 -5.175 -2.000 1.00 0.00 N ATOM 0 H ARG A 78 6.366 -8.129 0.477 1.00 0.00 H new ATOM 0 HA ARG A 78 5.456 -5.317 0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.512 -6.764 -0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.667 -7.442 1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.423 -5.198 2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.395 -4.451 0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.336 -6.563 1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.134 -4.940 2.023 1.00 0.00 H new ATOM 0 HE ARG A 78 1.245 -4.125 -0.351 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.429 -7.560 0.089 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.515 -7.609 -1.404 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.003 -4.184 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.757 -5.689 -2.674 1.00 0.00 H new ATOM 1243 N SER A 79 7.344 -5.786 1.979 1.00 0.00 N ATOM 1244 CA SER A 79 8.275 -5.655 3.092 1.00 0.00 C ATOM 1245 C SER A 79 8.964 -4.300 2.886 1.00 0.00 C ATOM 1246 O SER A 79 10.150 -4.223 2.557 1.00 0.00 O ATOM 1247 CB SER A 79 9.241 -6.851 3.090 1.00 0.00 C ATOM 1248 OG SER A 79 8.530 -8.082 3.108 1.00 0.00 O ATOM 0 H SER A 79 7.778 -5.523 1.094 1.00 0.00 H new ATOM 0 HA SER A 79 7.797 -5.672 4.072 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.877 -6.807 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.898 -6.794 3.958 1.00 0.00 H new ATOM 0 HG SER A 79 9.166 -8.827 3.105 1.00 0.00 H new ATOM 1254 N LEU A 80 8.136 -3.248 2.922 1.00 0.00 N ATOM 1255 CA LEU A 80 8.347 -1.952 2.279 1.00 0.00 C ATOM 1256 C LEU A 80 9.689 -1.309 2.643 1.00 0.00 C ATOM 1257 O LEU A 80 10.192 -1.458 3.760 1.00 0.00 O ATOM 1258 CB LEU A 80 7.182 -0.998 2.629 1.00 0.00 C ATOM 1259 CG LEU A 80 5.793 -1.286 2.012 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.841 -1.632 0.518 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.028 -2.395 2.747 1.00 0.00 C ATOM 0 H LEU A 80 7.252 -3.284 3.430 1.00 0.00 H new ATOM 0 HA LEU A 80 8.373 -2.131 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.070 -0.992 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.476 0.009 2.333 1.00 0.00 H new ATOM 0 HG LEU A 80 5.260 -0.343 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.831 -1.821 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.275 -0.799 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.452 -2.522 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.062 -2.550 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.604 -3.320 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.874 -2.104 3.786 1.00 0.00 H new ATOM 1273 N GLU A 81 10.231 -0.531 1.704 1.00 0.00 N ATOM 1274 CA GLU A 81 11.392 0.327 1.912 1.00 0.00 C ATOM 1275 C GLU A 81 11.011 1.504 2.822 1.00 0.00 C ATOM 1276 O GLU A 81 11.863 2.019 3.550 1.00 0.00 O ATOM 1277 CB GLU A 81 11.915 0.882 0.571 1.00 0.00 C ATOM 1278 CG GLU A 81 12.194 -0.156 -0.525 1.00 0.00 C ATOM 1279 CD GLU A 81 13.186 -1.249 -0.084 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.183 -0.952 0.612 1.00 0.00 O ATOM 1281 OE2 GLU A 81 12.963 -2.424 -0.447 1.00 0.00 O ATOM 0 H GLU A 81 9.863 -0.481 0.754 1.00 0.00 H new ATOM 0 HA GLU A 81 12.175 -0.271 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.188 1.598 0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.835 1.434 0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.255 -0.624 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.589 0.351 -1.405 1.00 0.00 H new ATOM 1288 N GLY A 82 9.745 1.938 2.780 1.00 0.00 N ATOM 1289 CA GLY A 82 9.247 3.081 3.540 1.00 0.00 C ATOM 1290 C GLY A 82 10.002 4.371 3.202 1.00 0.00 C ATOM 1291 O GLY A 82 10.212 5.212 4.079 1.00 0.00 O ATOM 0 H GLY A 82 9.029 1.494 2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.185 3.218 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.341 2.875 4.606 1.00 0.00 H new ATOM 1295 N HIS A 83 10.475 4.495 1.960 1.00 0.00 N ATOM 1296 CA HIS A 83 11.235 5.633 1.468 1.00 0.00 C ATOM 1297 C HIS A 83 10.276 6.737 1.003 1.00 0.00 C ATOM 1298 O HIS A 83 9.068 6.520 0.859 1.00 0.00 O ATOM 1299 CB HIS A 83 12.160 5.157 0.333 1.00 0.00 C ATOM 1300 CG HIS A 83 13.436 4.497 0.808 1.00 0.00 C ATOM 1301 ND1 HIS A 83 13.612 3.721 1.936 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.657 4.586 0.192 1.00 0.00 C ATOM 1303 CE1 HIS A 83 14.902 3.350 1.991 1.00 0.00 C ATOM 1304 NE2 HIS A 83 15.586 3.858 0.948 1.00 0.00 N ATOM 0 H HIS A 83 10.331 3.778 1.249 1.00 0.00 H new ATOM 0 HA HIS A 83 11.853 6.054 2.261 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.613 4.454 -0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.417 6.011 -0.293 1.00 0.00 H new ATOM 0 HD1 HIS A 83 12.888 3.472 2.611 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.867 5.125 -0.720 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.331 2.730 2.764 1.00 0.00 H new ATOM 1312 N HIS A 84 10.815 7.936 0.758 1.00 0.00 N ATOM 1313 CA HIS A 84 10.056 9.116 0.328 1.00 0.00 C ATOM 1314 C HIS A 84 10.699 9.781 -0.905 1.00 0.00 C ATOM 1315 O HIS A 84 10.317 10.893 -1.278 1.00 0.00 O ATOM 1316 CB HIS A 84 9.923 10.106 1.504 1.00 0.00 C ATOM 1317 CG HIS A 84 9.159 9.612 2.716 1.00 0.00 C ATOM 1318 ND1 HIS A 84 8.364 8.489 2.810 1.00 0.00 N ATOM 1319 CD2 HIS A 84 9.103 10.239 3.933 1.00 0.00 C ATOM 1320 CE1 HIS A 84 7.858 8.432 4.053 1.00 0.00 C ATOM 1321 NE2 HIS A 84 8.276 9.486 4.781 1.00 0.00 N ATOM 0 H HIS A 84 11.814 8.117 0.855 1.00 0.00 H new ATOM 0 HA HIS A 84 9.057 8.799 0.027 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.925 10.392 1.825 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.435 11.009 1.137 1.00 0.00 H new ATOM 0 HD1 HIS A 84 8.190 7.816 2.063 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.609 11.156 4.195 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.207 7.651 4.418 1.00 0.00 H new ATOM 1329 N ARG A 85 11.676 9.127 -1.546 1.00 0.00 N ATOM 1330 CA ARG A 85 12.370 9.613 -2.737 1.00 0.00 C ATOM 1331 C ARG A 85 12.762 8.423 -3.602 1.00 0.00 C ATOM 1332 O ARG A 85 12.833 7.296 -3.101 1.00 0.00 O ATOM 1333 CB ARG A 85 13.608 10.438 -2.329 1.00 0.00 C ATOM 1334 CG ARG A 85 14.654 9.635 -1.528 1.00 0.00 C ATOM 1335 CD ARG A 85 15.888 10.470 -1.179 1.00 0.00 C ATOM 1336 NE ARG A 85 15.583 11.566 -0.238 1.00 0.00 N ATOM 1337 CZ ARG A 85 16.434 12.531 0.135 1.00 0.00 C ATOM 1338 NH1 ARG A 85 17.676 12.562 -0.344 1.00 0.00 N ATOM 1339 NH2 ARG A 85 16.037 13.467 0.991 1.00 0.00 N ATOM 0 H ARG A 85 12.013 8.215 -1.237 1.00 0.00 H new ATOM 0 HA ARG A 85 11.712 10.265 -3.312 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.080 10.837 -3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.284 11.291 -1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.198 9.264 -0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.960 8.764 -2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.649 9.823 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.310 10.888 -2.093 1.00 0.00 H new ATOM 0 HE ARG A 85 14.645 11.591 0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.987 11.847 -1.001 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.316 13.301 -0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.087 13.449 1.362 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.682 14.203 1.277 1.00 0.00 H new ATOM 1353 N PHE A 86 13.053 8.673 -4.876 1.00 0.00 N ATOM 1354 CA PHE A 86 13.706 7.708 -5.749 1.00 0.00 C ATOM 1355 C PHE A 86 15.195 8.087 -5.841 1.00 0.00 C ATOM 1356 O PHE A 86 15.543 9.248 -5.594 1.00 0.00 O ATOM 1357 CB PHE A 86 12.993 7.672 -7.111 1.00 0.00 C ATOM 1358 CG PHE A 86 13.138 6.340 -7.819 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.438 5.210 -7.362 1.00 0.00 C ATOM 1360 CD2 PHE A 86 13.970 6.223 -8.940 1.00 0.00 C ATOM 1361 CE1 PHE A 86 12.627 3.960 -7.975 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.167 4.976 -9.559 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.503 3.840 -9.067 1.00 0.00 C ATOM 0 H PHE A 86 12.839 9.559 -5.333 1.00 0.00 H new ATOM 0 HA PHE A 86 13.643 6.694 -5.353 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.934 7.887 -6.967 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.395 8.461 -7.747 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.750 5.303 -6.534 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.465 7.099 -9.333 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.100 3.092 -7.607 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.827 4.892 -10.410 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.665 2.877 -9.527 1.00 0.00 H new ATOM 1373 N SER A 87 16.073 7.128 -6.163 1.00 0.00 N ATOM 1374 CA SER A 87 17.527 7.307 -6.050 1.00 0.00 C ATOM 1375 C SER A 87 18.273 6.703 -7.251 1.00 0.00 C ATOM 1376 O SER A 87 17.748 5.809 -7.921 1.00 0.00 O ATOM 1377 CB SER A 87 18.017 6.661 -4.738 1.00 0.00 C ATOM 1378 OG SER A 87 17.052 6.706 -3.693 1.00 0.00 O ATOM 0 H SER A 87 15.797 6.209 -6.508 1.00 0.00 H new ATOM 0 HA SER A 87 17.741 8.376 -6.042 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.285 5.622 -4.931 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.924 7.168 -4.408 1.00 0.00 H new ATOM 0 HG SER A 87 16.331 6.071 -3.886 1.00 0.00 H new ATOM 1384 N ILE A 88 19.506 7.151 -7.512 1.00 0.00 N ATOM 1385 CA ILE A 88 20.427 6.523 -8.464 1.00 0.00 C ATOM 1386 C ILE A 88 21.618 6.011 -7.649 1.00 0.00 C ATOM 1387 O ILE A 88 22.070 6.683 -6.716 1.00 0.00 O ATOM 1388 CB ILE A 88 20.907 7.494 -9.584 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.755 8.238 -10.288 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.687 6.703 -10.654 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.170 9.268 -11.349 1.00 0.00 C ATOM 0 H ILE A 88 19.899 7.976 -7.058 1.00 0.00 H new ATOM 0 HA ILE A 88 19.912 5.716 -8.985 1.00 0.00 H new ATOM 0 HB ILE A 88 21.533 8.238 -9.092 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.107 7.500 -10.760 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.160 8.746 -9.530 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.022 7.383 -11.437 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.552 6.224 -10.194 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.039 5.942 -11.088 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.280 9.728 -11.777 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.790 10.037 -10.887 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.736 8.771 -12.137 1.00 0.00 H new ATOM 1403 N VAL A 89 22.157 4.859 -8.037 1.00 0.00 N ATOM 1404 CA VAL A 89 23.437 4.330 -7.577 1.00 0.00 C ATOM 1405 C VAL A 89 24.193 3.842 -8.825 1.00 0.00 C ATOM 1406 O VAL A 89 23.578 3.605 -9.868 1.00 0.00 O ATOM 1407 CB VAL A 89 23.238 3.216 -6.514 1.00 0.00 C ATOM 1408 CG1 VAL A 89 24.411 3.197 -5.521 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.933 3.315 -5.695 1.00 0.00 C ATOM 0 H VAL A 89 21.696 4.244 -8.707 1.00 0.00 H new ATOM 0 HA VAL A 89 24.024 5.098 -7.073 1.00 0.00 H new ATOM 0 HB VAL A 89 23.183 2.299 -7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 89 24.252 2.409 -4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 89 25.340 3.008 -6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 89 24.474 4.160 -5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 89 21.888 2.493 -4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.911 4.263 -5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 89 21.077 3.259 -6.367 1.00 0.00 H new ATOM 1419 N TYR A 90 25.516 3.681 -8.738 1.00 0.00 N ATOM 1420 CA TYR A 90 26.380 3.486 -9.907 1.00 0.00 C ATOM 1421 C TYR A 90 27.324 2.280 -9.748 1.00 0.00 C ATOM 1422 O TYR A 90 28.228 2.098 -10.567 1.00 0.00 O ATOM 1423 CB TYR A 90 27.161 4.787 -10.173 1.00 0.00 C ATOM 1424 CG TYR A 90 26.298 6.015 -10.416 1.00 0.00 C ATOM 1425 CD1 TYR A 90 25.763 6.259 -11.697 1.00 0.00 C ATOM 1426 CD2 TYR A 90 26.041 6.923 -9.368 1.00 0.00 C ATOM 1427 CE1 TYR A 90 24.991 7.410 -11.936 1.00 0.00 C ATOM 1428 CE2 TYR A 90 25.267 8.074 -9.599 1.00 0.00 C ATOM 1429 CZ TYR A 90 24.743 8.328 -10.890 1.00 0.00 C ATOM 1430 OH TYR A 90 24.009 9.449 -11.135 1.00 0.00 O ATOM 0 H TYR A 90 26.021 3.682 -7.852 1.00 0.00 H new ATOM 0 HA TYR A 90 25.752 3.256 -10.768 1.00 0.00 H new ATOM 0 HB2 TYR A 90 27.813 4.982 -9.322 1.00 0.00 H new ATOM 0 HB3 TYR A 90 27.805 4.636 -11.040 1.00 0.00 H new ATOM 0 HD1 TYR A 90 25.947 5.559 -12.499 1.00 0.00 H new ATOM 0 HD2 TYR A 90 26.441 6.733 -8.383 1.00 0.00 H new ATOM 0 HE1 TYR A 90 24.587 7.593 -12.921 1.00 0.00 H new ATOM 0 HE2 TYR A 90 25.072 8.764 -8.792 1.00 0.00 H new ATOM 0 HH TYR A 90 23.929 9.974 -10.312 1.00 0.00 H new ATOM 1440 N SER A 91 27.113 1.442 -8.726 1.00 0.00 N ATOM 1441 CA SER A 91 27.962 0.304 -8.391 1.00 0.00 C ATOM 1442 C SER A 91 27.065 -0.867 -8.007 1.00 0.00 C ATOM 1443 O SER A 91 27.280 -1.965 -8.560 1.00 0.00 O ATOM 1444 CB SER A 91 28.914 0.667 -7.241 1.00 0.00 C ATOM 1445 OG SER A 91 29.682 1.825 -7.549 1.00 0.00 O ATOM 1446 OXT SER A 91 26.131 -0.662 -7.202 1.00 0.00 O ATOM 0 H SER A 91 26.320 1.545 -8.092 1.00 0.00 H new ATOM 0 HA SER A 91 28.575 0.028 -9.249 1.00 0.00 H new ATOM 0 HB2 SER A 91 28.339 0.841 -6.332 1.00 0.00 H new ATOM 0 HB3 SER A 91 29.581 -0.171 -7.040 1.00 0.00 H new ATOM 0 HG SER A 91 30.277 2.032 -6.798 1.00 0.00 H new TER 1452 SER A 91