USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 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 NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 72 THR OG1 : rot -123:sc= -2.01! USER MOD Set 1.2: A 75 GLN : amide:sc= 0.196 K(o=-1.8,f=-2.6) USER MOD Set 2.1: A 19 ASN : amide:sc= 1.11 K(o=0.96,f=-0.86) USER MOD Set 2.2: A 31 GLN : amide:sc= -0.147 K(o=0.96,f=0.3) USER MOD Set 3.1: A 28 SER OG : rot -118:sc= 1.17 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-2.5!) USER MOD Single : A 21 LYS NZ :NH3+ -136:sc= 1.25 (180deg=1.18) USER MOD Single : A 25 GLN : amide:sc= 1.09 K(o=1.1,f=-0.58) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 1.19 (180deg=0.905) USER MOD Single : A 37 HIS : no HD1:sc= 0.94 K(o=0.94,f=-3.7!) USER MOD Single : A 38 THR OG1 : rot -71:sc= -2.49! USER MOD Single : A 41 SER OG : rot -132:sc= 1.35 USER MOD Single : A 42 LYS NZ :NH3+ -130:sc= 3.49 (180deg=-0.194) USER MOD Single : A 44 MET CE :methyl -177:sc= -0.0215 (180deg=-0.0491) USER MOD Single : A 45 LYS NZ :NH3+ -127:sc= 1.25 (180deg=0.0111) USER MOD Single : A 48 CYS SG : rot -79:sc= -2.07 USER MOD Single : A 51 GLN : amide:sc= -1.47 K(o=-1.5,f=-3.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.414 USER MOD Single : A 55 MET CE :methyl -122:sc= -0.0137 (180deg=-0.538) USER MOD Single : A 57 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.53) USER MOD Single : A 65 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.71) USER MOD Single : A 68 ASN : amide:sc= 1.21 K(o=1.2,f=-0.15) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -112:sc= 0 (180deg=-0.951) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0685 K(o=-0.068,f=-1.2!) USER MOD Single : A 89 GLN : amide:sc= -0.0392 K(o=-0.039,f=-0.73) USER MOD Single : A 90 GLN : amide:sc= -0.458 K(o=-0.46,f=-3.3!) USER MOD Single : A 91 THR OG1 : rot 91:sc= 0.125 USER MOD Single : B 357 ASN : amide:sc= -0.097 K(o=-0.097,f=-3.4!) USER MOD Single : B 358 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -5.193 23.077 6.885 1.00 10.00 N ATOM 2 CA ASP A 16 -6.224 22.016 6.974 1.00 10.00 C ATOM 3 C ASP A 16 -5.747 20.759 6.270 1.00 10.00 C ATOM 4 O ASP A 16 -4.799 20.802 5.485 1.00 10.00 O ATOM 5 CB ASP A 16 -7.538 22.484 6.340 1.00 10.00 C ATOM 6 CG ASP A 16 -8.148 23.667 7.062 1.00 10.00 C ATOM 7 OD1 ASP A 16 -9.337 23.594 7.432 1.00 10.00 O ATOM 8 OD2 ASP A 16 -7.439 24.674 7.259 1.00 10.00 O ATOM 0 HA ASP A 16 -6.395 21.799 8.028 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -7.359 22.752 5.299 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -8.250 21.659 6.338 1.00 10.00 H new ATOM 13 N HIS A 17 -6.398 19.646 6.558 1.00 10.00 N ATOM 14 CA HIS A 17 -6.053 18.377 5.947 1.00 10.00 C ATOM 15 C HIS A 17 -7.012 18.070 4.803 1.00 10.00 C ATOM 16 O HIS A 17 -8.054 18.711 4.667 1.00 10.00 O ATOM 17 CB HIS A 17 -6.110 17.249 6.985 1.00 10.00 C ATOM 18 CG HIS A 17 -4.990 17.267 7.986 1.00 10.00 C ATOM 19 ND1 HIS A 17 -5.166 17.782 9.247 1.00 10.00 N ATOM 20 CD2 HIS A 17 -3.721 16.801 7.872 1.00 10.00 C ATOM 21 CE1 HIS A 17 -4.013 17.616 9.870 1.00 10.00 C ATOM 22 NE2 HIS A 17 -3.107 17.029 9.078 1.00 10.00 N ATOM 0 H HIS A 17 -7.175 19.597 7.217 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.038 18.446 5.557 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.058 17.311 7.519 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -6.099 16.292 6.464 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.279 16.340 7.001 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.825 17.916 10.890 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -2.145 16.796 9.324 1.00 10.00 H new ATOM 30 N ILE A 18 -6.649 17.100 3.985 1.00 10.00 N ATOM 31 CA ILE A 18 -7.476 16.683 2.868 1.00 10.00 C ATOM 32 C ILE A 18 -7.893 15.226 3.073 1.00 10.00 C ATOM 33 O ILE A 18 -7.082 14.387 3.470 1.00 10.00 O ATOM 34 CB ILE A 18 -6.745 16.863 1.510 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.656 16.462 0.348 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.453 16.062 1.473 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.050 16.723 -1.018 1.00 10.00 C ATOM 0 H ILE A 18 -5.776 16.581 4.075 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.362 17.317 2.834 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.492 17.918 1.404 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.895 15.402 0.434 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.596 17.008 0.429 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -4.962 16.207 0.510 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.792 16.400 2.272 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.677 15.004 1.610 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.752 16.414 -1.793 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -6.837 17.787 -1.124 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.125 16.156 -1.120 1.00 10.00 H new ATOM 49 N ASN A 19 -9.162 14.939 2.838 1.00 10.00 N ATOM 50 CA ASN A 19 -9.681 13.593 3.018 1.00 10.00 C ATOM 51 C ASN A 19 -9.527 12.788 1.739 1.00 10.00 C ATOM 52 O ASN A 19 -10.150 13.094 0.724 1.00 10.00 O ATOM 53 CB ASN A 19 -11.162 13.628 3.420 1.00 10.00 C ATOM 54 CG ASN A 19 -11.432 14.496 4.637 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.392 14.027 5.777 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.721 15.771 4.406 1.00 10.00 N ATOM 0 H ASN A 19 -9.853 15.620 2.522 1.00 10.00 H new ATOM 0 HA ASN A 19 -9.108 13.119 3.815 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.751 13.998 2.581 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.500 12.612 3.624 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.919 16.398 5.185 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.745 16.123 3.449 1.00 10.00 H new ATOM 63 N LEU A 20 -8.683 11.770 1.780 1.00 10.00 N ATOM 64 CA LEU A 20 -8.466 10.923 0.616 1.00 10.00 C ATOM 65 C LEU A 20 -9.031 9.531 0.865 1.00 10.00 C ATOM 66 O LEU A 20 -8.773 8.919 1.906 1.00 10.00 O ATOM 67 CB LEU A 20 -6.976 10.855 0.272 1.00 10.00 C ATOM 68 CG LEU A 20 -6.359 12.175 -0.199 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.888 11.989 -0.532 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.113 12.717 -1.405 1.00 10.00 C ATOM 0 H LEU A 20 -8.139 11.510 2.602 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.989 11.358 -0.236 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.431 10.510 1.151 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.832 10.106 -0.507 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.439 12.899 0.612 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.467 12.938 -0.865 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.355 11.647 0.355 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.785 11.249 -1.325 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.660 13.655 -1.726 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -7.065 11.994 -2.219 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.155 12.890 -1.135 1.00 10.00 H new ATOM 82 N LYS A 21 -9.805 9.037 -0.089 1.00 10.00 N ATOM 83 CA LYS A 21 -10.428 7.730 0.032 1.00 10.00 C ATOM 84 C LYS A 21 -9.636 6.666 -0.717 1.00 10.00 C ATOM 85 O LYS A 21 -9.682 6.593 -1.944 1.00 10.00 O ATOM 86 CB LYS A 21 -11.857 7.769 -0.515 1.00 10.00 C ATOM 87 CG LYS A 21 -12.759 8.766 0.187 1.00 10.00 C ATOM 88 CD LYS A 21 -14.063 8.954 -0.572 1.00 10.00 C ATOM 89 CE LYS A 21 -14.964 9.971 0.102 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.170 10.276 -0.712 1.00 10.00 N ATOM 0 H LYS A 21 -10.017 9.525 -0.959 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.445 7.473 1.091 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.822 8.011 -1.577 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -12.295 6.775 -0.429 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.970 8.420 1.199 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.246 9.724 0.278 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.848 9.277 -1.590 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.583 7.999 -0.644 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -15.271 9.593 1.077 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.405 10.890 0.279 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.335 11.303 -0.717 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -16.024 9.944 -1.687 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.996 9.795 -0.302 1.00 10.00 H new ATOM 104 N VAL A 22 -8.894 5.859 0.016 1.00 10.00 N ATOM 105 CA VAL A 22 -8.130 4.784 -0.589 1.00 10.00 C ATOM 106 C VAL A 22 -8.920 3.491 -0.436 1.00 10.00 C ATOM 107 O VAL A 22 -9.220 3.067 0.682 1.00 10.00 O ATOM 108 CB VAL A 22 -6.730 4.632 0.046 1.00 10.00 C ATOM 109 CG1 VAL A 22 -5.953 3.500 -0.609 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.954 5.937 -0.048 1.00 10.00 C ATOM 0 H VAL A 22 -8.804 5.926 1.030 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.972 5.018 -1.642 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.864 4.385 1.099 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -4.971 3.415 -0.143 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.497 2.564 -0.482 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.833 3.709 -1.672 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.971 5.809 0.405 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.838 6.217 -1.095 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.497 6.722 0.479 1.00 10.00 H new ATOM 120 N ALA A 23 -9.285 2.888 -1.553 1.00 10.00 N ATOM 121 CA ALA A 23 -10.075 1.669 -1.532 1.00 10.00 C ATOM 122 C ALA A 23 -9.215 0.434 -1.748 1.00 10.00 C ATOM 123 O ALA A 23 -8.286 0.446 -2.561 1.00 10.00 O ATOM 124 CB ALA A 23 -11.169 1.741 -2.586 1.00 10.00 C ATOM 0 H ALA A 23 -9.047 3.222 -2.487 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.528 1.583 -0.545 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.757 0.823 -2.564 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.818 2.592 -2.380 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.718 1.859 -3.571 1.00 10.00 H new ATOM 130 N GLY A 24 -9.525 -0.623 -1.011 1.00 10.00 N ATOM 131 CA GLY A 24 -8.798 -1.869 -1.141 1.00 10.00 C ATOM 132 C GLY A 24 -9.584 -2.893 -1.941 1.00 10.00 C ATOM 133 O GLY A 24 -10.810 -2.801 -2.033 1.00 10.00 O ATOM 0 H GLY A 24 -10.274 -0.639 -0.319 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.840 -1.683 -1.627 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -8.580 -2.269 -0.151 1.00 10.00 H new ATOM 137 N GLN A 25 -8.885 -3.873 -2.507 1.00 10.00 N ATOM 138 CA GLN A 25 -9.524 -4.919 -3.312 1.00 10.00 C ATOM 139 C GLN A 25 -10.419 -5.809 -2.451 1.00 10.00 C ATOM 140 O GLN A 25 -11.300 -6.502 -2.963 1.00 10.00 O ATOM 141 CB GLN A 25 -8.464 -5.775 -4.013 1.00 10.00 C ATOM 142 CG GLN A 25 -7.564 -4.989 -4.954 1.00 10.00 C ATOM 143 CD GLN A 25 -8.295 -4.474 -6.179 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.200 -5.126 -6.704 1.00 10.00 O ATOM 145 NE2 GLN A 25 -7.915 -3.296 -6.636 1.00 10.00 N ATOM 0 H GLN A 25 -7.873 -3.968 -2.425 1.00 10.00 H new ATOM 0 HA GLN A 25 -10.145 -4.429 -4.062 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.847 -6.263 -3.258 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -8.962 -6.564 -4.576 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -7.131 -4.146 -4.415 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.736 -5.624 -5.271 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -7.162 -2.788 -6.173 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -8.375 -2.893 -7.453 1.00 10.00 H new ATOM 154 N ASP A 26 -10.185 -5.785 -1.147 1.00 10.00 N ATOM 155 CA ASP A 26 -10.964 -6.589 -0.213 1.00 10.00 C ATOM 156 C ASP A 26 -12.244 -5.862 0.188 1.00 10.00 C ATOM 157 O ASP A 26 -13.166 -6.468 0.733 1.00 10.00 O ATOM 158 CB ASP A 26 -10.132 -6.909 1.035 1.00 10.00 C ATOM 159 CG ASP A 26 -9.884 -5.688 1.898 1.00 10.00 C ATOM 160 OD1 ASP A 26 -9.026 -4.859 1.523 1.00 10.00 O ATOM 161 OD2 ASP A 26 -10.552 -5.547 2.942 1.00 10.00 O ATOM 0 H ASP A 26 -9.460 -5.216 -0.710 1.00 10.00 H new ATOM 0 HA ASP A 26 -11.235 -7.521 -0.709 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -10.646 -7.668 1.625 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -9.176 -7.335 0.731 1.00 10.00 H new ATOM 166 N GLY A 27 -12.300 -4.568 -0.103 1.00 10.00 N ATOM 167 CA GLY A 27 -13.465 -3.779 0.245 1.00 10.00 C ATOM 168 C GLY A 27 -13.252 -2.971 1.511 1.00 10.00 C ATOM 169 O GLY A 27 -14.166 -2.812 2.320 1.00 10.00 O ATOM 0 H GLY A 27 -11.558 -4.051 -0.574 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -13.705 -3.106 -0.578 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -14.322 -4.439 0.377 1.00 10.00 H new ATOM 173 N SER A 28 -12.039 -2.474 1.689 1.00 10.00 N ATOM 174 CA SER A 28 -11.705 -1.677 2.857 1.00 10.00 C ATOM 175 C SER A 28 -11.599 -0.205 2.484 1.00 10.00 C ATOM 176 O SER A 28 -10.960 0.146 1.489 1.00 10.00 O ATOM 177 CB SER A 28 -10.380 -2.157 3.460 1.00 10.00 C ATOM 178 OG SER A 28 -9.429 -2.433 2.443 1.00 10.00 O ATOM 0 H SER A 28 -11.267 -2.609 1.036 1.00 10.00 H new ATOM 0 HA SER A 28 -12.498 -1.796 3.595 1.00 10.00 H new ATOM 0 HB2 SER A 28 -9.986 -1.396 4.134 1.00 10.00 H new ATOM 0 HB3 SER A 28 -10.551 -3.053 4.056 1.00 10.00 H new ATOM 0 HG SER A 28 -9.184 -3.382 2.472 1.00 10.00 H new ATOM 184 N VAL A 29 -12.250 0.647 3.260 1.00 10.00 N ATOM 185 CA VAL A 29 -12.192 2.075 3.013 1.00 10.00 C ATOM 186 C VAL A 29 -11.442 2.765 4.147 1.00 10.00 C ATOM 187 O VAL A 29 -11.801 2.637 5.322 1.00 10.00 O ATOM 188 CB VAL A 29 -13.599 2.701 2.818 1.00 10.00 C ATOM 189 CG1 VAL A 29 -14.484 2.502 4.039 1.00 10.00 C ATOM 190 CG2 VAL A 29 -13.485 4.180 2.476 1.00 10.00 C ATOM 0 H VAL A 29 -12.821 0.375 4.061 1.00 10.00 H new ATOM 0 HA VAL A 29 -11.653 2.228 2.078 1.00 10.00 H new ATOM 0 HB VAL A 29 -14.072 2.183 1.984 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -15.459 2.955 3.860 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -14.609 1.436 4.228 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -14.019 2.972 4.906 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -14.482 4.601 2.343 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.976 4.702 3.286 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.916 4.297 1.554 1.00 10.00 H new ATOM 200 N VAL A 30 -10.367 3.447 3.799 1.00 10.00 N ATOM 201 CA VAL A 30 -9.565 4.149 4.790 1.00 10.00 C ATOM 202 C VAL A 30 -9.809 5.647 4.731 1.00 10.00 C ATOM 203 O VAL A 30 -9.999 6.218 3.653 1.00 10.00 O ATOM 204 CB VAL A 30 -8.051 3.902 4.608 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.689 2.461 4.893 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.601 4.293 3.217 1.00 10.00 C ATOM 0 H VAL A 30 -10.028 3.531 2.841 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.875 3.752 5.757 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.529 4.531 5.329 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.617 2.321 4.756 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.959 2.214 5.920 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -8.231 1.808 4.209 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.531 4.109 3.115 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -8.143 3.701 2.479 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.804 5.351 3.053 1.00 10.00 H new ATOM 216 N GLN A 31 -9.813 6.279 5.890 1.00 10.00 N ATOM 217 CA GLN A 31 -9.988 7.715 5.968 1.00 10.00 C ATOM 218 C GLN A 31 -8.613 8.354 6.100 1.00 10.00 C ATOM 219 O GLN A 31 -8.133 8.599 7.207 1.00 10.00 O ATOM 220 CB GLN A 31 -10.881 8.102 7.152 1.00 10.00 C ATOM 221 CG GLN A 31 -11.441 9.512 7.048 1.00 10.00 C ATOM 222 CD GLN A 31 -11.101 10.375 8.250 1.00 10.00 C ATOM 223 OE1 GLN A 31 -10.974 9.883 9.372 1.00 10.00 O ATOM 224 NE2 GLN A 31 -10.955 11.674 8.024 1.00 10.00 N ATOM 0 H GLN A 31 -9.697 5.818 6.792 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.483 8.072 5.065 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.707 7.395 7.221 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.308 8.013 8.075 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -11.053 9.986 6.146 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -12.524 9.460 6.940 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.068 12.043 7.080 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -10.729 12.303 8.794 1.00 10.00 H new ATOM 233 N PHE A 32 -7.966 8.570 4.965 1.00 10.00 N ATOM 234 CA PHE A 32 -6.635 9.150 4.941 1.00 10.00 C ATOM 235 C PHE A 32 -6.675 10.646 5.209 1.00 10.00 C ATOM 236 O PHE A 32 -7.174 11.425 4.394 1.00 10.00 O ATOM 237 CB PHE A 32 -5.965 8.886 3.593 1.00 10.00 C ATOM 238 CG PHE A 32 -4.776 7.975 3.673 1.00 10.00 C ATOM 239 CD1 PHE A 32 -4.819 6.715 3.108 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.613 8.381 4.308 1.00 10.00 C ATOM 241 CE1 PHE A 32 -3.728 5.873 3.173 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.518 7.545 4.377 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.576 6.288 3.808 1.00 10.00 C ATOM 0 H PHE A 32 -8.345 8.350 4.044 1.00 10.00 H new ATOM 0 HA PHE A 32 -6.055 8.677 5.733 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.698 8.452 2.913 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.653 9.837 3.161 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -5.718 6.385 2.609 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.563 9.363 4.754 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.776 4.890 2.727 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.617 7.873 4.875 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.721 5.631 3.860 1.00 10.00 H new ATOM 253 N LYS A 33 -6.160 11.038 6.364 1.00 10.00 N ATOM 254 CA LYS A 33 -6.109 12.439 6.739 1.00 10.00 C ATOM 255 C LYS A 33 -4.696 12.970 6.535 1.00 10.00 C ATOM 256 O LYS A 33 -3.860 12.902 7.440 1.00 10.00 O ATOM 257 CB LYS A 33 -6.540 12.625 8.196 1.00 10.00 C ATOM 258 CG LYS A 33 -6.950 14.050 8.529 1.00 10.00 C ATOM 259 CD LYS A 33 -7.078 14.262 10.028 1.00 10.00 C ATOM 260 CE LYS A 33 -7.596 15.656 10.351 1.00 10.00 C ATOM 261 NZ LYS A 33 -7.552 15.942 11.808 1.00 10.00 N ATOM 0 H LYS A 33 -5.770 10.401 7.059 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.799 12.998 6.107 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.374 11.956 8.408 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.720 12.329 8.850 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -6.214 14.744 8.125 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.901 14.277 8.047 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -7.754 13.516 10.446 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -6.108 14.114 10.502 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -7.000 16.397 9.818 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -8.621 15.754 9.993 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -7.913 16.901 11.985 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -8.141 15.251 12.315 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -6.571 15.874 12.146 1.00 10.00 H new ATOM 275 N ILE A 34 -4.423 13.470 5.336 1.00 10.00 N ATOM 276 CA ILE A 34 -3.102 14.001 5.014 1.00 10.00 C ATOM 277 C ILE A 34 -3.206 15.460 4.574 1.00 10.00 C ATOM 278 O ILE A 34 -4.302 16.001 4.496 1.00 10.00 O ATOM 279 CB ILE A 34 -2.394 13.168 3.910 1.00 10.00 C ATOM 280 CG1 ILE A 34 -2.839 13.604 2.514 1.00 10.00 C ATOM 281 CG2 ILE A 34 -2.668 11.683 4.098 1.00 10.00 C ATOM 282 CD1 ILE A 34 -2.000 13.014 1.400 1.00 10.00 C ATOM 0 H ILE A 34 -5.096 13.519 4.571 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.499 13.937 5.920 1.00 10.00 H new ATOM 0 HB ILE A 34 -1.323 13.347 4.001 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -3.880 13.315 2.366 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -2.798 14.691 2.452 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.163 11.118 3.315 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -2.296 11.365 5.072 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -3.741 11.501 4.042 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -2.373 13.366 0.438 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.962 13.324 1.523 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -2.060 11.926 1.436 1.00 10.00 H new ATOM 294 N LYS A 35 -2.075 16.103 4.308 1.00 10.00 N ATOM 295 CA LYS A 35 -2.088 17.490 3.860 1.00 10.00 C ATOM 296 C LYS A 35 -2.076 17.541 2.338 1.00 10.00 C ATOM 297 O LYS A 35 -1.913 16.519 1.677 1.00 10.00 O ATOM 298 CB LYS A 35 -0.891 18.259 4.417 1.00 10.00 C ATOM 299 CG LYS A 35 -0.930 18.458 5.922 1.00 10.00 C ATOM 300 CD LYS A 35 -1.791 19.648 6.309 1.00 10.00 C ATOM 301 CE LYS A 35 -1.521 20.085 7.739 1.00 10.00 C ATOM 302 NZ LYS A 35 -0.179 20.713 7.887 1.00 10.00 N ATOM 0 H LYS A 35 -1.146 15.691 4.394 1.00 10.00 H new ATOM 0 HA LYS A 35 -2.998 17.961 4.232 1.00 10.00 H new ATOM 0 HB2 LYS A 35 0.023 17.727 4.155 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.842 19.234 3.933 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -1.318 17.558 6.398 1.00 10.00 H new ATOM 0 HG3 LYS A 35 0.083 18.605 6.296 1.00 10.00 H new ATOM 0 HD2 LYS A 35 -1.594 20.478 5.630 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -2.844 19.389 6.199 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -2.289 20.792 8.053 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -1.592 19.222 8.401 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 -0.125 21.205 8.802 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 0.555 19.977 7.845 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 -0.029 21.396 7.117 1.00 10.00 H new ATOM 316 N ARG A 36 -2.223 18.732 1.778 1.00 10.00 N ATOM 317 CA ARG A 36 -2.243 18.884 0.329 1.00 10.00 C ATOM 318 C ARG A 36 -0.825 18.956 -0.234 1.00 10.00 C ATOM 319 O ARG A 36 -0.628 18.921 -1.449 1.00 10.00 O ATOM 320 CB ARG A 36 -3.041 20.129 -0.069 1.00 10.00 C ATOM 321 CG ARG A 36 -4.412 20.205 0.588 1.00 10.00 C ATOM 322 CD ARG A 36 -5.356 21.125 -0.172 1.00 10.00 C ATOM 323 NE ARG A 36 -5.960 20.460 -1.325 1.00 10.00 N ATOM 324 CZ ARG A 36 -7.245 20.573 -1.665 1.00 10.00 C ATOM 325 NH1 ARG A 36 -8.058 21.354 -0.957 1.00 10.00 N ATOM 326 NH2 ARG A 36 -7.711 19.911 -2.718 1.00 10.00 N ATOM 0 H ARG A 36 -2.330 19.602 2.299 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.732 18.007 -0.096 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.469 21.018 0.197 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.164 20.141 -1.152 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.844 19.206 0.642 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.304 20.562 1.612 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.142 21.472 0.499 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.810 22.007 -0.507 1.00 10.00 H new ATOM 0 HE ARG A 36 -5.362 19.873 -1.906 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.699 21.868 -0.152 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -9.040 21.439 -1.219 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -7.087 19.318 -3.265 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -8.693 19.996 -2.980 1.00 10.00 H new ATOM 340 N HIS A 37 0.159 19.051 0.649 1.00 10.00 N ATOM 341 CA HIS A 37 1.551 19.123 0.225 1.00 10.00 C ATOM 342 C HIS A 37 2.313 17.850 0.599 1.00 10.00 C ATOM 343 O HIS A 37 3.410 17.610 0.099 1.00 10.00 O ATOM 344 CB HIS A 37 2.244 20.358 0.825 1.00 10.00 C ATOM 345 CG HIS A 37 2.594 20.236 2.281 1.00 10.00 C ATOM 346 ND1 HIS A 37 3.893 20.079 2.695 1.00 10.00 N ATOM 347 CD2 HIS A 37 1.785 20.252 3.365 1.00 10.00 C ATOM 348 CE1 HIS A 37 3.848 20.007 4.012 1.00 10.00 C ATOM 349 NE2 HIS A 37 2.591 20.104 4.465 1.00 10.00 N ATOM 0 H HIS A 37 0.021 19.080 1.659 1.00 10.00 H new ATOM 0 HA HIS A 37 1.559 19.215 -0.861 1.00 10.00 H new ATOM 0 HB2 HIS A 37 3.156 20.556 0.261 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.594 21.223 0.693 1.00 10.00 H new ATOM 0 HD2 HIS A 37 0.710 20.361 3.364 1.00 10.00 H new ATOM 0 HE1 HIS A 37 4.715 19.885 4.645 1.00 10.00 H new ATOM 0 HE2 HIS A 37 2.291 20.074 5.439 1.00 10.00 H new ATOM 357 N THR A 38 1.724 17.039 1.475 1.00 10.00 N ATOM 358 CA THR A 38 2.350 15.800 1.916 1.00 10.00 C ATOM 359 C THR A 38 2.502 14.824 0.748 1.00 10.00 C ATOM 360 O THR A 38 1.513 14.451 0.118 1.00 10.00 O ATOM 361 CB THR A 38 1.522 15.129 3.033 1.00 10.00 C ATOM 362 OG1 THR A 38 1.131 16.108 4.005 1.00 10.00 O ATOM 363 CG2 THR A 38 2.314 14.023 3.719 1.00 10.00 C ATOM 0 H THR A 38 0.811 17.221 1.893 1.00 10.00 H new ATOM 0 HA THR A 38 3.336 16.053 2.306 1.00 10.00 H new ATOM 0 HB THR A 38 0.637 14.687 2.576 1.00 10.00 H new ATOM 0 HG1 THR A 38 1.916 16.390 4.519 1.00 10.00 H new ATOM 0 HG21 THR A 38 1.704 13.570 4.501 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.588 13.264 2.987 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.217 14.443 4.161 1.00 10.00 H new ATOM 371 N PRO A 39 3.745 14.414 0.437 1.00 10.00 N ATOM 372 CA PRO A 39 4.020 13.478 -0.658 1.00 10.00 C ATOM 373 C PRO A 39 3.209 12.190 -0.545 1.00 10.00 C ATOM 374 O PRO A 39 3.044 11.639 0.548 1.00 10.00 O ATOM 375 CB PRO A 39 5.515 13.183 -0.508 1.00 10.00 C ATOM 376 CG PRO A 39 6.068 14.360 0.213 1.00 10.00 C ATOM 377 CD PRO A 39 4.976 14.839 1.127 1.00 10.00 C ATOM 0 HA PRO A 39 3.749 13.898 -1.627 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.682 12.263 0.052 1.00 10.00 H new ATOM 0 HB3 PRO A 39 5.992 13.055 -1.480 1.00 10.00 H new ATOM 0 HG2 PRO A 39 6.959 14.087 0.779 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.362 15.143 -0.486 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.056 14.392 2.118 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.009 15.920 1.261 1.00 10.00 H new ATOM 385 N LEU A 40 2.725 11.703 -1.683 1.00 10.00 N ATOM 386 CA LEU A 40 1.924 10.486 -1.719 1.00 10.00 C ATOM 387 C LEU A 40 2.757 9.265 -1.342 1.00 10.00 C ATOM 388 O LEU A 40 2.221 8.177 -1.132 1.00 10.00 O ATOM 389 CB LEU A 40 1.293 10.305 -3.102 1.00 10.00 C ATOM 390 CG LEU A 40 0.199 11.319 -3.447 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.128 11.275 -4.928 1.00 10.00 C ATOM 392 CD2 LEU A 40 -1.051 11.059 -2.620 1.00 10.00 C ATOM 0 H LEU A 40 2.875 12.135 -2.595 1.00 10.00 H new ATOM 0 HA LEU A 40 1.127 10.584 -0.982 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.078 10.369 -3.855 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.872 9.302 -3.165 1.00 10.00 H new ATOM 0 HG LEU A 40 0.572 12.315 -3.208 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -0.908 12.004 -5.150 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.766 11.512 -5.505 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.477 10.277 -5.194 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.817 11.790 -2.879 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.422 10.055 -2.827 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.811 11.146 -1.560 1.00 10.00 H new ATOM 404 N SER A 41 4.070 9.454 -1.249 1.00 10.00 N ATOM 405 CA SER A 41 4.973 8.384 -0.868 1.00 10.00 C ATOM 406 C SER A 41 4.650 7.926 0.552 1.00 10.00 C ATOM 407 O SER A 41 4.665 6.732 0.851 1.00 10.00 O ATOM 408 CB SER A 41 6.414 8.880 -0.955 1.00 10.00 C ATOM 409 OG SER A 41 6.441 10.266 -1.254 1.00 10.00 O ATOM 0 H SER A 41 4.530 10.345 -1.434 1.00 10.00 H new ATOM 0 HA SER A 41 4.851 7.539 -1.545 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.927 8.695 -0.011 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.951 8.325 -1.724 1.00 10.00 H new ATOM 0 HG SER A 41 7.071 10.430 -1.986 1.00 10.00 H new ATOM 415 N LYS A 42 4.328 8.894 1.413 1.00 10.00 N ATOM 416 CA LYS A 42 3.972 8.605 2.796 1.00 10.00 C ATOM 417 C LYS A 42 2.658 7.844 2.831 1.00 10.00 C ATOM 418 O LYS A 42 2.497 6.897 3.591 1.00 10.00 O ATOM 419 CB LYS A 42 3.844 9.899 3.613 1.00 10.00 C ATOM 420 CG LYS A 42 5.133 10.336 4.288 1.00 10.00 C ATOM 421 CD LYS A 42 4.884 11.425 5.327 1.00 10.00 C ATOM 422 CE LYS A 42 6.153 11.729 6.120 1.00 10.00 C ATOM 423 NZ LYS A 42 5.889 12.530 7.350 1.00 10.00 N ATOM 0 H LYS A 42 4.308 9.885 1.172 1.00 10.00 H new ATOM 0 HA LYS A 42 4.762 7.999 3.238 1.00 10.00 H new ATOM 0 HB2 LYS A 42 3.501 10.698 2.956 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.076 9.761 4.374 1.00 10.00 H new ATOM 0 HG2 LYS A 42 5.603 9.477 4.767 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.831 10.703 3.536 1.00 10.00 H new ATOM 0 HD2 LYS A 42 4.535 12.331 4.832 1.00 10.00 H new ATOM 0 HD3 LYS A 42 4.093 11.109 6.007 1.00 10.00 H new ATOM 0 HE2 LYS A 42 6.635 10.792 6.399 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.853 12.270 5.483 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 6.536 13.344 7.380 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 4.906 12.870 7.339 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 6.040 11.936 8.190 1.00 10.00 H new ATOM 437 N LEU A 43 1.739 8.253 1.964 1.00 10.00 N ATOM 438 CA LEU A 43 0.424 7.631 1.870 1.00 10.00 C ATOM 439 C LEU A 43 0.548 6.165 1.466 1.00 10.00 C ATOM 440 O LEU A 43 -0.068 5.288 2.073 1.00 10.00 O ATOM 441 CB LEU A 43 -0.442 8.394 0.861 1.00 10.00 C ATOM 442 CG LEU A 43 -1.915 7.983 0.813 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.801 9.211 0.687 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.169 7.021 -0.341 1.00 10.00 C ATOM 0 H LEU A 43 1.883 9.022 1.309 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.053 7.673 2.849 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.387 9.458 1.093 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -0.013 8.262 -0.132 1.00 10.00 H new ATOM 0 HG LEU A 43 -2.160 7.471 1.743 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.846 8.904 0.654 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.642 9.864 1.545 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.551 9.747 -0.229 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.222 6.742 -0.357 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.908 7.505 -1.282 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.559 6.127 -0.211 1.00 10.00 H new ATOM 456 N MET A 44 1.361 5.906 0.450 1.00 10.00 N ATOM 457 CA MET A 44 1.563 4.548 -0.039 1.00 10.00 C ATOM 458 C MET A 44 2.196 3.665 1.034 1.00 10.00 C ATOM 459 O MET A 44 1.720 2.562 1.305 1.00 10.00 O ATOM 460 CB MET A 44 2.442 4.553 -1.294 1.00 10.00 C ATOM 461 CG MET A 44 1.776 5.193 -2.503 1.00 10.00 C ATOM 462 SD MET A 44 2.673 4.892 -4.040 1.00 10.00 S ATOM 463 CE MET A 44 4.168 5.842 -3.761 1.00 10.00 C ATOM 0 H MET A 44 1.891 6.618 -0.052 1.00 10.00 H new ATOM 0 HA MET A 44 0.585 4.137 -0.291 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.368 5.085 -1.076 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.714 3.527 -1.541 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.761 4.807 -2.599 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.695 6.268 -2.340 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.799 5.796 -4.649 1.00 10.00 H new ATOM 0 HE2 MET A 44 3.906 6.880 -3.555 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.709 5.428 -2.910 1.00 10.00 H new ATOM 473 N LYS A 45 3.252 4.170 1.659 1.00 10.00 N ATOM 474 CA LYS A 45 3.958 3.425 2.695 1.00 10.00 C ATOM 475 C LYS A 45 3.101 3.241 3.946 1.00 10.00 C ATOM 476 O LYS A 45 3.135 2.182 4.570 1.00 10.00 O ATOM 477 CB LYS A 45 5.270 4.130 3.044 1.00 10.00 C ATOM 478 CG LYS A 45 6.376 3.856 2.040 1.00 10.00 C ATOM 479 CD LYS A 45 7.390 4.989 1.985 1.00 10.00 C ATOM 480 CE LYS A 45 8.379 4.778 0.850 1.00 10.00 C ATOM 481 NZ LYS A 45 9.255 5.960 0.634 1.00 10.00 N ATOM 0 H LYS A 45 3.639 5.094 1.467 1.00 10.00 H new ATOM 0 HA LYS A 45 4.177 2.432 2.302 1.00 10.00 H new ATOM 0 HB2 LYS A 45 5.095 5.204 3.099 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.597 3.809 4.033 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.883 2.928 2.304 1.00 10.00 H new ATOM 0 HG3 LYS A 45 5.940 3.711 1.051 1.00 10.00 H new ATOM 0 HD2 LYS A 45 6.873 5.939 1.850 1.00 10.00 H new ATOM 0 HD3 LYS A 45 7.925 5.049 2.933 1.00 10.00 H new ATOM 0 HE2 LYS A 45 8.997 3.906 1.067 1.00 10.00 H new ATOM 0 HE3 LYS A 45 7.833 4.561 -0.068 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 9.212 6.246 -0.365 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 8.932 6.746 1.234 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 10.235 5.716 0.882 1.00 10.00 H new ATOM 495 N ALA A 46 2.321 4.261 4.293 1.00 10.00 N ATOM 496 CA ALA A 46 1.462 4.201 5.473 1.00 10.00 C ATOM 497 C ALA A 46 0.468 3.046 5.382 1.00 10.00 C ATOM 498 O ALA A 46 0.324 2.269 6.324 1.00 10.00 O ATOM 499 CB ALA A 46 0.724 5.516 5.665 1.00 10.00 C ATOM 0 H ALA A 46 2.266 5.138 3.775 1.00 10.00 H new ATOM 0 HA ALA A 46 2.102 4.027 6.338 1.00 10.00 H new ATOM 0 HB1 ALA A 46 0.089 5.451 6.549 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.446 6.323 5.795 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.107 5.718 4.789 1.00 10.00 H new ATOM 505 N TYR A 47 -0.212 2.932 4.247 1.00 10.00 N ATOM 506 CA TYR A 47 -1.184 1.863 4.051 1.00 10.00 C ATOM 507 C TYR A 47 -0.470 0.523 3.898 1.00 10.00 C ATOM 508 O TYR A 47 -0.944 -0.507 4.376 1.00 10.00 O ATOM 509 CB TYR A 47 -2.055 2.140 2.819 1.00 10.00 C ATOM 510 CG TYR A 47 -3.113 1.084 2.568 1.00 10.00 C ATOM 511 CD1 TYR A 47 -3.102 0.323 1.404 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.117 0.843 3.497 1.00 10.00 C ATOM 513 CE1 TYR A 47 -4.063 -0.647 1.175 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.081 -0.122 3.275 1.00 10.00 C ATOM 515 CZ TYR A 47 -5.051 -0.865 2.114 1.00 10.00 C ATOM 516 OH TYR A 47 -6.007 -1.835 1.891 1.00 10.00 O ATOM 0 H TYR A 47 -0.109 3.563 3.452 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.830 1.822 4.928 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.542 3.108 2.940 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.413 2.214 1.941 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.331 0.491 0.667 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.145 1.420 4.409 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -4.040 -1.230 0.266 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -5.855 -0.294 4.008 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.628 -1.862 2.648 1.00 10.00 H new ATOM 526 N CYS A 48 0.682 0.560 3.247 1.00 10.00 N ATOM 527 CA CYS A 48 1.480 -0.632 3.013 1.00 10.00 C ATOM 528 C CYS A 48 1.915 -1.280 4.327 1.00 10.00 C ATOM 529 O CYS A 48 1.682 -2.470 4.548 1.00 10.00 O ATOM 530 CB CYS A 48 2.706 -0.271 2.179 1.00 10.00 C ATOM 531 SG CYS A 48 3.248 -1.582 1.076 1.00 10.00 S ATOM 0 H CYS A 48 1.089 1.415 2.867 1.00 10.00 H new ATOM 0 HA CYS A 48 0.866 -1.353 2.473 1.00 10.00 H new ATOM 0 HB2 CYS A 48 2.483 0.618 1.589 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.526 -0.011 2.849 1.00 10.00 H new ATOM 0 HG CYS A 48 3.921 -2.466 1.751 1.00 10.00 H new ATOM 537 N GLU A 49 2.531 -0.490 5.200 1.00 10.00 N ATOM 538 CA GLU A 49 2.999 -0.984 6.492 1.00 10.00 C ATOM 539 C GLU A 49 1.825 -1.380 7.381 1.00 10.00 C ATOM 540 O GLU A 49 1.935 -2.280 8.214 1.00 10.00 O ATOM 541 CB GLU A 49 3.844 0.085 7.186 1.00 10.00 C ATOM 542 CG GLU A 49 5.173 0.355 6.497 1.00 10.00 C ATOM 543 CD GLU A 49 6.114 -0.824 6.574 1.00 10.00 C ATOM 544 OE1 GLU A 49 6.704 -1.048 7.650 1.00 10.00 O ATOM 545 OE2 GLU A 49 6.264 -1.540 5.565 1.00 10.00 O ATOM 0 H GLU A 49 2.719 0.499 5.036 1.00 10.00 H new ATOM 0 HA GLU A 49 3.611 -1.869 6.319 1.00 10.00 H new ATOM 0 HB2 GLU A 49 3.274 1.013 7.233 1.00 10.00 H new ATOM 0 HB3 GLU A 49 4.034 -0.225 8.214 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.993 0.604 5.451 1.00 10.00 H new ATOM 0 HG3 GLU A 49 5.646 1.224 6.955 1.00 10.00 H new ATOM 552 N ARG A 50 0.703 -0.705 7.181 1.00 10.00 N ATOM 553 CA ARG A 50 -0.516 -0.957 7.945 1.00 10.00 C ATOM 554 C ARG A 50 -1.042 -2.367 7.692 1.00 10.00 C ATOM 555 O ARG A 50 -1.483 -3.050 8.617 1.00 10.00 O ATOM 556 CB ARG A 50 -1.559 0.087 7.549 1.00 10.00 C ATOM 557 CG ARG A 50 -2.926 -0.050 8.202 1.00 10.00 C ATOM 558 CD ARG A 50 -3.659 1.265 8.119 1.00 10.00 C ATOM 559 NE ARG A 50 -3.062 2.259 9.007 1.00 10.00 N ATOM 560 CZ ARG A 50 -3.667 2.738 10.086 1.00 10.00 C ATOM 561 NH1 ARG A 50 -4.914 2.380 10.360 1.00 10.00 N ATOM 562 NH2 ARG A 50 -3.036 3.594 10.879 1.00 10.00 N ATOM 0 H ARG A 50 0.609 0.034 6.484 1.00 10.00 H new ATOM 0 HA ARG A 50 -0.299 -0.880 9.011 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.163 1.074 7.786 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -1.690 0.048 6.468 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -3.501 -0.831 7.705 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -2.814 -0.351 9.244 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -3.639 1.632 7.093 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -4.706 1.118 8.385 1.00 10.00 H new ATOM 0 HE ARG A 50 -2.128 2.604 8.785 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.408 1.737 9.741 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -5.380 2.748 11.190 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -2.083 3.885 10.660 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -3.503 3.961 11.708 1.00 10.00 H new ATOM 576 N GLN A 51 -0.977 -2.804 6.438 1.00 10.00 N ATOM 577 CA GLN A 51 -1.456 -4.133 6.071 1.00 10.00 C ATOM 578 C GLN A 51 -0.325 -5.158 6.117 1.00 10.00 C ATOM 579 O GLN A 51 -0.550 -6.350 5.890 1.00 10.00 O ATOM 580 CB GLN A 51 -2.086 -4.110 4.676 1.00 10.00 C ATOM 581 CG GLN A 51 -3.218 -3.102 4.523 1.00 10.00 C ATOM 582 CD GLN A 51 -4.281 -3.234 5.600 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.195 -2.605 6.654 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.297 -4.043 5.341 1.00 10.00 N ATOM 0 H GLN A 51 -0.599 -2.260 5.662 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.214 -4.426 6.797 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -1.312 -3.885 3.943 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -2.466 -5.105 4.444 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -2.805 -2.094 4.550 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.682 -3.231 3.545 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -5.334 -4.548 4.456 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -6.043 -4.161 6.027 1.00 10.00 H new ATOM 593 N GLY A 52 0.884 -4.687 6.406 1.00 10.00 N ATOM 594 CA GLY A 52 2.034 -5.572 6.483 1.00 10.00 C ATOM 595 C GLY A 52 2.454 -6.104 5.128 1.00 10.00 C ATOM 596 O GLY A 52 2.740 -7.293 4.980 1.00 10.00 O ATOM 0 H GLY A 52 1.089 -3.705 6.589 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.870 -5.037 6.934 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.800 -6.409 7.141 1.00 10.00 H new ATOM 600 N LEU A 53 2.500 -5.225 4.137 1.00 10.00 N ATOM 601 CA LEU A 53 2.882 -5.621 2.790 1.00 10.00 C ATOM 602 C LEU A 53 4.055 -4.787 2.289 1.00 10.00 C ATOM 603 O LEU A 53 4.380 -3.744 2.860 1.00 10.00 O ATOM 604 CB LEU A 53 1.693 -5.473 1.834 1.00 10.00 C ATOM 605 CG LEU A 53 0.480 -6.348 2.157 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.708 -5.947 1.297 1.00 10.00 C ATOM 607 CD2 LEU A 53 0.809 -7.820 1.951 1.00 10.00 C ATOM 0 H LEU A 53 2.278 -4.235 4.240 1.00 10.00 H new ATOM 0 HA LEU A 53 3.189 -6.667 2.820 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.377 -4.430 1.832 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.029 -5.706 0.824 1.00 10.00 H new ATOM 0 HG LEU A 53 0.219 -6.197 3.204 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.562 -6.579 1.539 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.962 -4.905 1.490 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -0.453 -6.069 0.244 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -0.067 -8.425 2.186 1.00 10.00 H new ATOM 0 HD22 LEU A 53 1.097 -7.987 0.913 1.00 10.00 H new ATOM 0 HD23 LEU A 53 1.633 -8.104 2.606 1.00 10.00 H new ATOM 619 N SER A 54 4.689 -5.256 1.227 1.00 10.00 N ATOM 620 CA SER A 54 5.818 -4.554 0.636 1.00 10.00 C ATOM 621 C SER A 54 5.325 -3.538 -0.388 1.00 10.00 C ATOM 622 O SER A 54 4.360 -3.800 -1.111 1.00 10.00 O ATOM 623 CB SER A 54 6.768 -5.554 -0.029 1.00 10.00 C ATOM 624 OG SER A 54 7.619 -4.910 -0.962 1.00 10.00 O ATOM 0 H SER A 54 4.440 -6.125 0.754 1.00 10.00 H new ATOM 0 HA SER A 54 6.357 -4.026 1.423 1.00 10.00 H new ATOM 0 HB2 SER A 54 7.369 -6.051 0.733 1.00 10.00 H new ATOM 0 HB3 SER A 54 6.190 -6.328 -0.534 1.00 10.00 H new ATOM 0 HG SER A 54 8.216 -5.571 -1.371 1.00 10.00 H new ATOM 630 N MET A 55 5.996 -2.391 -0.464 1.00 10.00 N ATOM 631 CA MET A 55 5.610 -1.343 -1.405 1.00 10.00 C ATOM 632 C MET A 55 5.906 -1.789 -2.833 1.00 10.00 C ATOM 633 O MET A 55 5.438 -1.191 -3.797 1.00 10.00 O ATOM 634 CB MET A 55 6.341 -0.034 -1.094 1.00 10.00 C ATOM 635 CG MET A 55 5.557 1.206 -1.505 1.00 10.00 C ATOM 636 SD MET A 55 6.558 2.709 -1.483 1.00 10.00 S ATOM 637 CE MET A 55 7.573 2.456 -2.936 1.00 10.00 C ATOM 0 H MET A 55 6.806 -2.164 0.112 1.00 10.00 H new ATOM 0 HA MET A 55 4.539 -1.165 -1.303 1.00 10.00 H new ATOM 0 HB2 MET A 55 6.548 0.013 -0.025 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.304 -0.033 -1.606 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.153 1.059 -2.507 1.00 10.00 H new ATOM 0 HG3 MET A 55 4.707 1.331 -0.834 1.00 10.00 H new ATOM 0 HE1 MET A 55 8.625 2.475 -2.653 1.00 10.00 H new ATOM 0 HE2 MET A 55 7.335 1.491 -3.382 1.00 10.00 H new ATOM 0 HE3 MET A 55 7.377 3.248 -3.659 1.00 10.00 H new ATOM 647 N ARG A 56 6.682 -2.855 -2.949 1.00 10.00 N ATOM 648 CA ARG A 56 7.033 -3.413 -4.242 1.00 10.00 C ATOM 649 C ARG A 56 6.036 -4.510 -4.617 1.00 10.00 C ATOM 650 O ARG A 56 5.952 -4.926 -5.773 1.00 10.00 O ATOM 651 CB ARG A 56 8.461 -3.971 -4.198 1.00 10.00 C ATOM 652 CG ARG A 56 8.900 -4.666 -5.480 1.00 10.00 C ATOM 653 CD ARG A 56 10.334 -5.161 -5.379 1.00 10.00 C ATOM 654 NE ARG A 56 10.656 -6.128 -6.427 1.00 10.00 N ATOM 655 CZ ARG A 56 11.321 -5.831 -7.544 1.00 10.00 C ATOM 656 NH1 ARG A 56 11.720 -4.585 -7.777 1.00 10.00 N ATOM 657 NH2 ARG A 56 11.585 -6.784 -8.429 1.00 10.00 N ATOM 0 H ARG A 56 7.083 -3.354 -2.155 1.00 10.00 H new ATOM 0 HA ARG A 56 6.991 -2.630 -4.999 1.00 10.00 H new ATOM 0 HB2 ARG A 56 9.152 -3.155 -3.986 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.538 -4.677 -3.371 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.237 -5.506 -5.686 1.00 10.00 H new ATOM 0 HG3 ARG A 56 8.810 -3.976 -6.319 1.00 10.00 H new ATOM 0 HD2 ARG A 56 11.016 -4.313 -5.447 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.491 -5.619 -4.403 1.00 10.00 H new ATOM 0 HE ARG A 56 10.352 -7.093 -6.295 1.00 10.00 H new ATOM 0 HH11 ARG A 56 11.518 -3.850 -7.100 1.00 10.00 H new ATOM 0 HH12 ARG A 56 12.228 -4.364 -8.633 1.00 10.00 H new ATOM 0 HH21 ARG A 56 11.279 -7.741 -8.254 1.00 10.00 H new ATOM 0 HH22 ARG A 56 12.094 -6.559 -9.284 1.00 10.00 H new ATOM 671 N GLN A 57 5.257 -4.946 -3.634 1.00 10.00 N ATOM 672 CA GLN A 57 4.271 -5.997 -3.844 1.00 10.00 C ATOM 673 C GLN A 57 2.950 -5.421 -4.347 1.00 10.00 C ATOM 674 O GLN A 57 2.222 -6.078 -5.089 1.00 10.00 O ATOM 675 CB GLN A 57 4.041 -6.776 -2.549 1.00 10.00 C ATOM 676 CG GLN A 57 3.095 -7.957 -2.708 1.00 10.00 C ATOM 677 CD GLN A 57 2.823 -8.665 -1.399 1.00 10.00 C ATOM 678 OE1 GLN A 57 3.662 -8.676 -0.501 1.00 10.00 O ATOM 679 NE2 GLN A 57 1.647 -9.266 -1.282 1.00 10.00 N ATOM 0 H GLN A 57 5.290 -4.586 -2.680 1.00 10.00 H new ATOM 0 HA GLN A 57 4.660 -6.674 -4.604 1.00 10.00 H new ATOM 0 HB2 GLN A 57 5.000 -7.137 -2.177 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.640 -6.099 -1.794 1.00 10.00 H new ATOM 0 HG2 GLN A 57 2.153 -7.609 -3.131 1.00 10.00 H new ATOM 0 HG3 GLN A 57 3.521 -8.666 -3.418 1.00 10.00 H new ATOM 0 HE21 GLN A 57 0.979 -9.233 -2.052 1.00 10.00 H new ATOM 0 HE22 GLN A 57 1.411 -9.761 -0.422 1.00 10.00 H new ATOM 688 N ILE A 58 2.639 -4.198 -3.945 1.00 10.00 N ATOM 689 CA ILE A 58 1.399 -3.562 -4.371 1.00 10.00 C ATOM 690 C ILE A 58 1.682 -2.339 -5.239 1.00 10.00 C ATOM 691 O ILE A 58 2.825 -1.895 -5.346 1.00 10.00 O ATOM 692 CB ILE A 58 0.519 -3.151 -3.170 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.306 -2.279 -2.187 1.00 10.00 C ATOM 694 CG2 ILE A 58 -0.030 -4.390 -2.472 1.00 10.00 C ATOM 695 CD1 ILE A 58 0.468 -1.746 -1.042 1.00 10.00 C ATOM 0 H ILE A 58 3.221 -3.629 -3.330 1.00 10.00 H new ATOM 0 HA ILE A 58 0.853 -4.301 -4.958 1.00 10.00 H new ATOM 0 HB ILE A 58 -0.318 -2.561 -3.543 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.133 -2.861 -1.780 1.00 10.00 H new ATOM 0 HG13 ILE A 58 1.742 -1.439 -2.728 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.649 -4.088 -1.627 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.632 -4.967 -3.174 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.797 -5.003 -2.115 1.00 10.00 H new ATOM 0 HD11 ILE A 58 1.092 -1.138 -0.387 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -0.344 -1.137 -1.438 1.00 10.00 H new ATOM 0 HD13 ILE A 58 0.053 -2.580 -0.476 1.00 10.00 H new ATOM 707 N ARG A 59 0.640 -1.819 -5.873 1.00 10.00 N ATOM 708 CA ARG A 59 0.758 -0.648 -6.735 1.00 10.00 C ATOM 709 C ARG A 59 -0.429 0.281 -6.520 1.00 10.00 C ATOM 710 O ARG A 59 -1.555 -0.178 -6.333 1.00 10.00 O ATOM 711 CB ARG A 59 0.822 -1.058 -8.212 1.00 10.00 C ATOM 712 CG ARG A 59 2.125 -1.734 -8.616 1.00 10.00 C ATOM 713 CD ARG A 59 3.328 -0.824 -8.390 1.00 10.00 C ATOM 714 NE ARG A 59 4.571 -1.433 -8.863 1.00 10.00 N ATOM 715 CZ ARG A 59 5.188 -2.443 -8.254 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.727 -2.914 -7.100 1.00 10.00 N ATOM 717 NH2 ARG A 59 6.284 -2.967 -8.789 1.00 10.00 N ATOM 0 H ARG A 59 -0.306 -2.193 -5.806 1.00 10.00 H new ATOM 0 HA ARG A 59 1.681 -0.130 -6.475 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.006 -1.733 -8.426 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.679 -0.172 -8.830 1.00 10.00 H new ATOM 0 HG2 ARG A 59 2.251 -2.653 -8.043 1.00 10.00 H new ATOM 0 HG3 ARG A 59 2.076 -2.018 -9.667 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.169 0.123 -8.906 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.417 -0.597 -7.328 1.00 10.00 H new ATOM 0 HE ARG A 59 4.992 -1.060 -9.714 1.00 10.00 H new ATOM 0 HH11 ARG A 59 3.896 -2.501 -6.676 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.204 -3.688 -6.638 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.652 -2.596 -9.665 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.759 -3.741 -8.324 1.00 10.00 H new ATOM 731 N PHE A 60 -0.173 1.577 -6.542 1.00 10.00 N ATOM 732 CA PHE A 60 -1.225 2.567 -6.356 1.00 10.00 C ATOM 733 C PHE A 60 -1.516 3.274 -7.672 1.00 10.00 C ATOM 734 O PHE A 60 -0.593 3.650 -8.400 1.00 10.00 O ATOM 735 CB PHE A 60 -0.822 3.594 -5.294 1.00 10.00 C ATOM 736 CG PHE A 60 -0.789 3.048 -3.891 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.154 2.105 -3.517 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.698 3.494 -2.946 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.189 1.615 -2.227 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.670 3.006 -1.655 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.725 2.065 -1.295 1.00 10.00 C ATOM 0 H PHE A 60 0.756 1.972 -6.687 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.124 2.052 -6.018 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.163 3.989 -5.542 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.519 4.431 -5.330 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.870 1.749 -4.243 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.437 4.232 -3.222 1.00 10.00 H new ATOM 0 HE1 PHE A 60 0.930 0.881 -1.947 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.386 3.359 -0.928 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.701 1.682 -0.286 1.00 10.00 H new ATOM 751 N ARG A 61 -2.790 3.443 -7.984 1.00 10.00 N ATOM 752 CA ARG A 61 -3.182 4.114 -9.213 1.00 10.00 C ATOM 753 C ARG A 61 -4.165 5.241 -8.923 1.00 10.00 C ATOM 754 O ARG A 61 -5.114 5.072 -8.156 1.00 10.00 O ATOM 755 CB ARG A 61 -3.800 3.122 -10.203 1.00 10.00 C ATOM 756 CG ARG A 61 -3.643 3.541 -11.658 1.00 10.00 C ATOM 757 CD ARG A 61 -4.811 3.074 -12.515 1.00 10.00 C ATOM 758 NE ARG A 61 -4.693 1.671 -12.916 1.00 10.00 N ATOM 759 CZ ARG A 61 -4.322 1.265 -14.135 1.00 10.00 C ATOM 760 NH1 ARG A 61 -3.986 2.145 -15.073 1.00 10.00 N ATOM 761 NH2 ARG A 61 -4.291 -0.029 -14.415 1.00 10.00 N ATOM 0 H ARG A 61 -3.568 3.126 -7.406 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.284 4.539 -9.661 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -3.338 2.145 -10.062 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.860 3.009 -9.978 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -3.562 4.626 -11.716 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.715 3.130 -12.055 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -5.740 3.212 -11.962 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -4.875 3.698 -13.406 1.00 10.00 H new ATOM 0 HE ARG A 61 -4.908 0.957 -12.220 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -4.009 3.144 -14.867 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -3.705 1.821 -15.999 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -4.549 -0.711 -13.702 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -4.009 -0.343 -15.343 1.00 10.00 H new ATOM 775 N PHE A 62 -3.925 6.389 -9.539 1.00 10.00 N ATOM 776 CA PHE A 62 -4.783 7.549 -9.371 1.00 10.00 C ATOM 777 C PHE A 62 -5.618 7.748 -10.625 1.00 10.00 C ATOM 778 O PHE A 62 -5.120 8.247 -11.639 1.00 10.00 O ATOM 779 CB PHE A 62 -3.946 8.801 -9.074 1.00 10.00 C ATOM 780 CG PHE A 62 -4.717 10.092 -9.148 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.737 10.362 -8.250 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.415 11.037 -10.118 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.441 11.548 -8.318 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.117 12.223 -10.189 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.130 12.479 -9.289 1.00 10.00 C ATOM 0 H PHE A 62 -3.135 6.541 -10.165 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.448 7.381 -8.524 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.513 8.707 -8.078 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.117 8.845 -9.780 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -5.984 9.637 -7.489 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.622 10.842 -10.825 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.234 11.747 -7.612 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.873 12.950 -10.949 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.680 13.407 -9.344 1.00 10.00 H new ATOM 795 N ASP A 63 -6.873 7.311 -10.553 1.00 10.00 N ATOM 796 CA ASP A 63 -7.824 7.416 -11.664 1.00 10.00 C ATOM 797 C ASP A 63 -7.432 6.476 -12.801 1.00 10.00 C ATOM 798 O ASP A 63 -8.098 5.465 -13.044 1.00 10.00 O ATOM 799 CB ASP A 63 -7.927 8.859 -12.180 1.00 10.00 C ATOM 800 CG ASP A 63 -9.043 9.038 -13.193 1.00 10.00 C ATOM 801 OD1 ASP A 63 -10.174 9.372 -12.779 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.800 8.841 -14.400 1.00 10.00 O ATOM 0 H ASP A 63 -7.264 6.871 -9.720 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.803 7.122 -11.287 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -8.094 9.531 -11.338 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.979 9.147 -12.634 1.00 10.00 H new ATOM 807 N GLY A 64 -6.347 6.803 -13.481 1.00 10.00 N ATOM 808 CA GLY A 64 -5.877 5.988 -14.578 1.00 10.00 C ATOM 809 C GLY A 64 -4.363 5.907 -14.625 1.00 10.00 C ATOM 810 O GLY A 64 -3.802 4.933 -15.124 1.00 10.00 O ATOM 0 H GLY A 64 -5.778 7.628 -13.290 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.290 4.984 -14.485 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.246 6.399 -15.518 1.00 10.00 H new ATOM 814 N GLN A 65 -3.698 6.916 -14.073 1.00 10.00 N ATOM 815 CA GLN A 65 -2.240 6.958 -14.071 1.00 10.00 C ATOM 816 C GLN A 65 -1.674 6.488 -12.734 1.00 10.00 C ATOM 817 O GLN A 65 -2.279 6.708 -11.685 1.00 10.00 O ATOM 818 CB GLN A 65 -1.749 8.376 -14.373 1.00 10.00 C ATOM 819 CG GLN A 65 -1.915 8.780 -15.829 1.00 10.00 C ATOM 820 CD GLN A 65 -1.295 7.779 -16.784 1.00 10.00 C ATOM 821 OE1 GLN A 65 -1.955 6.848 -17.240 1.00 10.00 O ATOM 822 NE2 GLN A 65 -0.024 7.968 -17.095 1.00 10.00 N ATOM 0 H GLN A 65 -4.144 7.715 -13.622 1.00 10.00 H new ATOM 0 HA GLN A 65 -1.886 6.281 -14.849 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.293 9.081 -13.745 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -0.696 8.453 -14.101 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -2.976 8.884 -16.055 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -1.459 9.757 -15.986 1.00 10.00 H new ATOM 0 HE21 GLN A 65 0.488 8.754 -16.694 1.00 10.00 H new ATOM 0 HE22 GLN A 65 0.445 7.328 -17.736 1.00 10.00 H new ATOM 831 N PRO A 66 -0.512 5.815 -12.760 1.00 10.00 N ATOM 832 CA PRO A 66 0.143 5.324 -11.545 1.00 10.00 C ATOM 833 C PRO A 66 0.729 6.465 -10.712 1.00 10.00 C ATOM 834 O PRO A 66 0.974 7.557 -11.227 1.00 10.00 O ATOM 835 CB PRO A 66 1.255 4.417 -12.077 1.00 10.00 C ATOM 836 CG PRO A 66 1.546 4.923 -13.447 1.00 10.00 C ATOM 837 CD PRO A 66 0.250 5.471 -13.979 1.00 10.00 C ATOM 0 HA PRO A 66 -0.553 4.811 -10.881 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.140 4.465 -11.443 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.936 3.375 -12.101 1.00 10.00 H new ATOM 0 HG2 PRO A 66 2.314 5.696 -13.421 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.921 4.123 -14.085 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.414 6.345 -14.609 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.277 4.735 -14.586 1.00 10.00 H new ATOM 845 N ILE A 67 0.952 6.205 -9.432 1.00 10.00 N ATOM 846 CA ILE A 67 1.495 7.213 -8.531 1.00 10.00 C ATOM 847 C ILE A 67 2.984 6.983 -8.272 1.00 10.00 C ATOM 848 O ILE A 67 3.427 5.844 -8.103 1.00 10.00 O ATOM 849 CB ILE A 67 0.734 7.213 -7.186 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.750 7.510 -7.420 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.338 8.229 -6.222 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.589 7.440 -6.165 1.00 10.00 C ATOM 0 H ILE A 67 0.765 5.304 -8.993 1.00 10.00 H new ATOM 0 HA ILE A 67 1.370 8.181 -9.015 1.00 10.00 H new ATOM 0 HB ILE A 67 0.827 6.224 -6.736 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -0.848 8.504 -7.857 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.143 6.801 -8.149 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.786 8.211 -5.282 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.382 7.977 -6.035 1.00 10.00 H new ATOM 0 HG23 ILE A 67 1.278 9.226 -6.659 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.628 7.662 -6.409 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.522 6.439 -5.738 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.223 8.168 -5.441 1.00 10.00 H new ATOM 864 N ASN A 68 3.754 8.066 -8.263 1.00 10.00 N ATOM 865 CA ASN A 68 5.189 7.994 -8.005 1.00 10.00 C ATOM 866 C ASN A 68 5.480 8.473 -6.588 1.00 10.00 C ATOM 867 O ASN A 68 4.624 9.079 -5.944 1.00 10.00 O ATOM 868 CB ASN A 68 5.969 8.856 -9.001 1.00 10.00 C ATOM 869 CG ASN A 68 5.670 8.509 -10.446 1.00 10.00 C ATOM 870 OD1 ASN A 68 6.322 7.653 -11.045 1.00 10.00 O ATOM 871 ND2 ASN A 68 4.683 9.172 -11.015 1.00 10.00 N ATOM 0 H ASN A 68 3.406 9.010 -8.432 1.00 10.00 H new ATOM 0 HA ASN A 68 5.505 6.957 -8.120 1.00 10.00 H new ATOM 0 HB2 ASN A 68 5.731 9.906 -8.829 1.00 10.00 H new ATOM 0 HB3 ASN A 68 7.037 8.737 -8.818 1.00 10.00 H new ATOM 0 HD21 ASN A 68 4.435 8.983 -11.986 1.00 10.00 H new ATOM 0 HD22 ASN A 68 4.167 9.874 -10.484 1.00 10.00 H new ATOM 878 N GLU A 69 6.695 8.234 -6.109 1.00 10.00 N ATOM 879 CA GLU A 69 7.076 8.655 -4.767 1.00 10.00 C ATOM 880 C GLU A 69 7.317 10.162 -4.718 1.00 10.00 C ATOM 881 O GLU A 69 7.475 10.742 -3.644 1.00 10.00 O ATOM 882 CB GLU A 69 8.332 7.914 -4.299 1.00 10.00 C ATOM 883 CG GLU A 69 8.118 6.427 -4.056 1.00 10.00 C ATOM 884 CD GLU A 69 9.268 5.797 -3.297 1.00 10.00 C ATOM 885 OE1 GLU A 69 9.266 5.847 -2.049 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.190 5.254 -3.943 1.00 10.00 O ATOM 0 H GLU A 69 7.430 7.753 -6.627 1.00 10.00 H new ATOM 0 HA GLU A 69 6.253 8.409 -4.097 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.116 8.041 -5.046 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.691 8.374 -3.379 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.194 6.282 -3.497 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.995 5.919 -5.012 1.00 10.00 H new ATOM 893 N THR A 70 7.339 10.787 -5.885 1.00 10.00 N ATOM 894 CA THR A 70 7.559 12.223 -5.980 1.00 10.00 C ATOM 895 C THR A 70 6.253 12.971 -6.255 1.00 10.00 C ATOM 896 O THR A 70 6.241 14.196 -6.387 1.00 10.00 O ATOM 897 CB THR A 70 8.571 12.538 -7.096 1.00 10.00 C ATOM 898 OG1 THR A 70 9.464 11.426 -7.265 1.00 10.00 O ATOM 899 CG2 THR A 70 9.370 13.788 -6.767 1.00 10.00 C ATOM 0 H THR A 70 7.207 10.321 -6.783 1.00 10.00 H new ATOM 0 HA THR A 70 7.955 12.557 -5.021 1.00 10.00 H new ATOM 0 HB THR A 70 8.021 12.713 -8.021 1.00 10.00 H new ATOM 0 HG1 THR A 70 10.106 11.628 -7.977 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.078 13.989 -7.571 1.00 10.00 H new ATOM 0 HG22 THR A 70 8.693 14.635 -6.660 1.00 10.00 H new ATOM 0 HG23 THR A 70 9.913 13.637 -5.834 1.00 10.00 H new ATOM 907 N ASP A 71 5.154 12.234 -6.324 1.00 10.00 N ATOM 908 CA ASP A 71 3.854 12.840 -6.594 1.00 10.00 C ATOM 909 C ASP A 71 3.204 13.321 -5.304 1.00 10.00 C ATOM 910 O ASP A 71 3.350 12.699 -4.248 1.00 10.00 O ATOM 911 CB ASP A 71 2.922 11.851 -7.308 1.00 10.00 C ATOM 912 CG ASP A 71 3.160 11.786 -8.805 1.00 10.00 C ATOM 913 OD1 ASP A 71 3.305 12.850 -9.442 1.00 10.00 O ATOM 914 OD2 ASP A 71 3.192 10.664 -9.357 1.00 10.00 O ATOM 0 H ASP A 71 5.134 11.222 -6.198 1.00 10.00 H new ATOM 0 HA ASP A 71 4.019 13.697 -7.247 1.00 10.00 H new ATOM 0 HB2 ASP A 71 3.059 10.858 -6.881 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.887 12.137 -7.123 1.00 10.00 H new ATOM 919 N THR A 72 2.508 14.442 -5.394 1.00 10.00 N ATOM 920 CA THR A 72 1.814 15.020 -4.253 1.00 10.00 C ATOM 921 C THR A 72 0.363 15.297 -4.640 1.00 10.00 C ATOM 922 O THR A 72 0.049 15.353 -5.834 1.00 10.00 O ATOM 923 CB THR A 72 2.477 16.341 -3.787 1.00 10.00 C ATOM 924 OG1 THR A 72 2.339 17.342 -4.801 1.00 10.00 O ATOM 925 CG2 THR A 72 3.952 16.141 -3.463 1.00 10.00 C ATOM 0 H THR A 72 2.408 14.976 -6.257 1.00 10.00 H new ATOM 0 HA THR A 72 1.865 14.308 -3.429 1.00 10.00 H new ATOM 0 HB THR A 72 1.970 16.666 -2.878 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.225 17.670 -5.059 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.385 17.088 -3.140 1.00 10.00 H new ATOM 0 HG22 THR A 72 4.053 15.405 -2.666 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.475 15.787 -4.352 1.00 10.00 H new ATOM 933 N PRO A 73 -0.546 15.460 -3.662 1.00 10.00 N ATOM 934 CA PRO A 73 -1.954 15.748 -3.950 1.00 10.00 C ATOM 935 C PRO A 73 -2.104 17.009 -4.792 1.00 10.00 C ATOM 936 O PRO A 73 -2.921 17.067 -5.712 1.00 10.00 O ATOM 937 CB PRO A 73 -2.576 15.946 -2.564 1.00 10.00 C ATOM 938 CG PRO A 73 -1.667 15.229 -1.632 1.00 10.00 C ATOM 939 CD PRO A 73 -0.289 15.365 -2.212 1.00 10.00 C ATOM 0 HA PRO A 73 -2.431 14.953 -4.523 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.648 17.004 -2.310 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.586 15.539 -2.522 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.714 15.660 -0.632 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.950 14.180 -1.540 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.222 16.250 -1.834 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.338 14.507 -1.969 1.00 10.00 H new ATOM 947 N ALA A 74 -1.291 18.011 -4.482 1.00 10.00 N ATOM 948 CA ALA A 74 -1.314 19.270 -5.206 1.00 10.00 C ATOM 949 C ALA A 74 -0.772 19.091 -6.622 1.00 10.00 C ATOM 950 O ALA A 74 -1.297 19.665 -7.574 1.00 10.00 O ATOM 951 CB ALA A 74 -0.511 20.323 -4.458 1.00 10.00 C ATOM 0 H ALA A 74 -0.604 17.973 -3.729 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.348 19.606 -5.278 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.537 21.261 -5.012 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.942 20.474 -3.468 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.522 19.989 -4.357 1.00 10.00 H new ATOM 957 N GLN A 75 0.266 18.274 -6.749 1.00 10.00 N ATOM 958 CA GLN A 75 0.894 18.011 -8.041 1.00 10.00 C ATOM 959 C GLN A 75 -0.060 17.293 -8.990 1.00 10.00 C ATOM 960 O GLN A 75 -0.086 17.577 -10.187 1.00 10.00 O ATOM 961 CB GLN A 75 2.154 17.162 -7.853 1.00 10.00 C ATOM 962 CG GLN A 75 3.404 17.760 -8.482 1.00 10.00 C ATOM 963 CD GLN A 75 3.896 18.996 -7.752 1.00 10.00 C ATOM 964 OE1 GLN A 75 3.695 19.148 -6.545 1.00 10.00 O ATOM 965 NE2 GLN A 75 4.548 19.888 -8.480 1.00 10.00 N ATOM 0 H GLN A 75 0.695 17.778 -5.968 1.00 10.00 H new ATOM 0 HA GLN A 75 1.159 18.973 -8.480 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.329 17.021 -6.786 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.981 16.175 -8.281 1.00 10.00 H new ATOM 0 HG2 GLN A 75 4.195 17.010 -8.491 1.00 10.00 H new ATOM 0 HG3 GLN A 75 3.196 18.016 -9.521 1.00 10.00 H new ATOM 0 HE21 GLN A 75 4.694 19.725 -9.476 1.00 10.00 H new ATOM 0 HE22 GLN A 75 4.905 20.739 -8.045 1.00 10.00 H new ATOM 974 N LEU A 76 -0.847 16.370 -8.453 1.00 10.00 N ATOM 975 CA LEU A 76 -1.786 15.604 -9.267 1.00 10.00 C ATOM 976 C LEU A 76 -3.150 16.282 -9.371 1.00 10.00 C ATOM 977 O LEU A 76 -4.081 15.713 -9.944 1.00 10.00 O ATOM 978 CB LEU A 76 -1.947 14.188 -8.709 1.00 10.00 C ATOM 979 CG LEU A 76 -0.789 13.233 -9.011 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.061 11.863 -8.410 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.567 13.121 -10.515 1.00 10.00 C ATOM 0 H LEU A 76 -0.855 16.133 -7.461 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.368 15.553 -10.272 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.071 14.253 -7.628 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.865 13.759 -9.110 1.00 10.00 H new ATOM 0 HG LEU A 76 0.117 13.636 -8.559 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.229 11.196 -8.634 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.172 11.955 -7.330 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -1.978 11.455 -8.835 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.260 12.438 -10.711 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.472 12.741 -10.989 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.330 14.104 -10.922 1.00 10.00 H new ATOM 993 N GLU A 77 -3.258 17.494 -8.825 1.00 10.00 N ATOM 994 CA GLU A 77 -4.510 18.254 -8.858 1.00 10.00 C ATOM 995 C GLU A 77 -5.638 17.462 -8.201 1.00 10.00 C ATOM 996 O GLU A 77 -6.752 17.383 -8.724 1.00 10.00 O ATOM 997 CB GLU A 77 -4.886 18.603 -10.302 1.00 10.00 C ATOM 998 CG GLU A 77 -3.790 19.336 -11.058 1.00 10.00 C ATOM 999 CD GLU A 77 -3.903 20.838 -10.935 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -3.733 21.365 -9.820 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -4.149 21.504 -11.960 1.00 10.00 O ATOM 0 H GLU A 77 -2.491 17.973 -8.353 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.362 19.178 -8.299 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -5.132 17.685 -10.836 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -5.785 19.219 -10.295 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -2.818 19.017 -10.682 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -3.831 19.057 -12.111 1.00 10.00 H new ATOM 1008 N MET A 78 -5.335 16.874 -7.055 1.00 10.00 N ATOM 1009 CA MET A 78 -6.305 16.076 -6.324 1.00 10.00 C ATOM 1010 C MET A 78 -7.164 16.954 -5.427 1.00 10.00 C ATOM 1011 O MET A 78 -6.679 17.931 -4.846 1.00 10.00 O ATOM 1012 CB MET A 78 -5.596 15.011 -5.486 1.00 10.00 C ATOM 1013 CG MET A 78 -4.742 14.069 -6.313 1.00 10.00 C ATOM 1014 SD MET A 78 -3.725 12.975 -5.304 1.00 10.00 S ATOM 1015 CE MET A 78 -4.981 11.915 -4.591 1.00 10.00 C ATOM 0 H MET A 78 -4.420 16.935 -6.609 1.00 10.00 H new ATOM 0 HA MET A 78 -6.953 15.584 -7.050 1.00 10.00 H new ATOM 0 HB2 MET A 78 -4.968 15.502 -4.743 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.341 14.431 -4.941 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.388 13.468 -6.953 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.097 14.653 -6.970 1.00 10.00 H new ATOM 0 HE1 MET A 78 -5.051 12.103 -3.520 1.00 10.00 H new ATOM 0 HE2 MET A 78 -5.943 12.124 -5.060 1.00 10.00 H new ATOM 0 HE3 MET A 78 -4.715 10.871 -4.759 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.434 16.599 -5.323 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.374 17.341 -4.499 1.00 10.00 C ATOM 1027 C GLU A 79 -9.809 16.495 -3.309 1.00 10.00 C ATOM 1028 O GLU A 79 -9.431 15.329 -3.198 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.595 17.761 -5.326 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.634 19.250 -5.637 1.00 10.00 C ATOM 1031 CD GLU A 79 -11.006 20.089 -4.431 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -12.054 20.763 -4.472 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -10.257 20.075 -3.433 1.00 10.00 O ATOM 0 H GLU A 79 -8.840 15.796 -5.803 1.00 10.00 H new ATOM 0 HA GLU A 79 -8.880 18.240 -4.130 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.600 17.202 -6.262 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.501 17.487 -4.786 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -9.659 19.565 -6.007 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -11.352 19.431 -6.436 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.591 17.089 -2.420 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.078 16.383 -1.242 1.00 10.00 C ATOM 1042 C ASP A 80 -12.062 15.296 -1.649 1.00 10.00 C ATOM 1043 O ASP A 80 -12.822 15.470 -2.604 1.00 10.00 O ATOM 1044 CB ASP A 80 -11.742 17.361 -0.266 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.016 16.737 1.089 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -11.067 16.598 1.887 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -13.182 16.390 1.367 1.00 10.00 O ATOM 0 H ASP A 80 -10.902 18.058 -2.491 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.229 15.918 -0.742 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.100 18.232 -0.137 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -12.679 17.716 -0.695 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.005 14.169 -0.941 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.875 13.018 -1.188 1.00 10.00 C ATOM 1054 C GLU A 81 -12.465 12.249 -2.441 1.00 10.00 C ATOM 1055 O GLU A 81 -13.234 11.432 -2.948 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.348 13.434 -1.290 1.00 10.00 C ATOM 1057 CG GLU A 81 -15.009 13.703 0.051 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.518 13.697 -0.044 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -17.109 14.776 -0.251 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -17.123 12.611 0.074 1.00 10.00 O ATOM 0 H GLU A 81 -11.349 14.027 -0.173 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.759 12.357 -0.329 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.420 14.331 -1.905 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.902 12.649 -1.805 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.689 12.948 0.770 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.675 14.668 0.432 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.255 12.499 -2.937 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.771 11.797 -4.124 1.00 10.00 C ATOM 1069 C ASP A 82 -10.542 10.325 -3.793 1.00 10.00 C ATOM 1070 O ASP A 82 -10.293 9.977 -2.637 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.478 12.427 -4.654 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.406 12.408 -6.172 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.392 11.308 -6.763 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.375 13.500 -6.784 1.00 10.00 O ATOM 0 H ASP A 82 -10.599 13.173 -2.542 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.527 11.881 -4.904 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.407 13.456 -4.302 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.621 11.891 -4.245 1.00 10.00 H new ATOM 1079 N THR A 83 -10.610 9.464 -4.797 1.00 10.00 N ATOM 1080 CA THR A 83 -10.450 8.032 -4.577 1.00 10.00 C ATOM 1081 C THR A 83 -9.178 7.476 -5.217 1.00 10.00 C ATOM 1082 O THR A 83 -8.886 7.729 -6.386 1.00 10.00 O ATOM 1083 CB THR A 83 -11.674 7.267 -5.115 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.875 7.952 -4.724 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.703 5.840 -4.581 1.00 10.00 C ATOM 0 H THR A 83 -10.774 9.729 -5.768 1.00 10.00 H new ATOM 0 HA THR A 83 -10.365 7.889 -3.500 1.00 10.00 H new ATOM 0 HB THR A 83 -11.607 7.226 -6.202 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.655 7.467 -5.067 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.577 5.321 -4.976 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.799 5.317 -4.892 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.754 5.860 -3.492 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.426 6.720 -4.427 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.194 6.092 -4.889 1.00 10.00 C ATOM 1095 C ILE A 84 -7.365 4.577 -4.854 1.00 10.00 C ATOM 1096 O ILE A 84 -7.938 4.041 -3.903 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.988 6.491 -4.012 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.898 8.013 -3.890 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.697 5.925 -4.592 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.928 8.478 -2.826 1.00 10.00 C ATOM 0 H ILE A 84 -8.651 6.525 -3.451 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.997 6.433 -5.906 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.131 6.072 -3.016 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.597 8.429 -4.851 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.888 8.411 -3.666 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.857 6.216 -3.962 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.762 4.838 -4.632 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.548 6.316 -5.598 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.916 9.568 -2.796 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -5.240 8.091 -1.856 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.929 8.110 -3.059 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.888 3.886 -5.881 1.00 10.00 N ATOM 1113 CA ASP A 85 -7.025 2.435 -5.938 1.00 10.00 C ATOM 1114 C ASP A 85 -5.684 1.742 -5.726 1.00 10.00 C ATOM 1115 O ASP A 85 -4.636 2.271 -6.102 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.626 2.005 -7.276 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.615 0.868 -7.121 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.187 -0.272 -6.848 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -9.829 1.109 -7.269 1.00 10.00 O ATOM 0 H ASP A 85 -6.407 4.301 -6.679 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.696 2.136 -5.132 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -8.124 2.857 -7.739 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.826 1.699 -7.950 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.731 0.560 -5.125 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.534 -0.222 -4.844 1.00 10.00 C ATOM 1126 C VAL A 86 -4.633 -1.599 -5.495 1.00 10.00 C ATOM 1127 O VAL A 86 -5.626 -2.306 -5.323 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.320 -0.403 -3.323 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -2.980 -1.066 -3.040 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.417 0.930 -2.601 1.00 10.00 C ATOM 0 H VAL A 86 -6.598 0.117 -4.819 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.686 0.325 -5.257 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.110 -1.054 -2.948 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -2.852 -1.183 -1.964 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -2.951 -2.045 -3.517 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.176 -0.445 -3.436 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.263 0.777 -1.533 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.654 1.608 -2.984 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.403 1.363 -2.767 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.605 -1.974 -6.240 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.573 -3.265 -6.918 1.00 10.00 C ATOM 1142 C PHE A 87 -2.390 -4.088 -6.429 1.00 10.00 C ATOM 1143 O PHE A 87 -1.452 -3.546 -5.847 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.479 -3.061 -8.434 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.589 -2.218 -8.993 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.846 -2.759 -9.192 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.378 -0.886 -9.313 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.872 -1.989 -9.699 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.402 -0.112 -9.824 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.651 -0.665 -10.013 1.00 10.00 C ATOM 0 H PHE A 87 -2.776 -1.400 -6.392 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.493 -3.803 -6.689 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.523 -2.594 -8.672 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.489 -4.034 -8.925 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -6.026 -3.795 -8.948 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.402 -0.448 -9.161 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.849 -2.424 -9.850 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -5.225 0.923 -10.075 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.455 -0.061 -10.407 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.437 -5.392 -6.653 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.356 -6.272 -6.236 1.00 10.00 C ATOM 1162 C GLN A 88 -0.548 -6.720 -7.447 1.00 10.00 C ATOM 1163 O GLN A 88 -1.117 -7.086 -8.477 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.897 -7.494 -5.491 1.00 10.00 C ATOM 1165 CG GLN A 88 -2.810 -7.149 -4.324 1.00 10.00 C ATOM 1166 CD GLN A 88 -2.850 -8.241 -3.271 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -1.848 -8.913 -3.017 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -4.009 -8.442 -2.662 1.00 10.00 N ATOM 0 H GLN A 88 -3.211 -5.864 -7.121 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.710 -5.715 -5.557 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.443 -8.123 -6.194 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -1.058 -8.083 -5.121 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -2.472 -6.220 -3.866 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -3.819 -6.972 -4.697 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -4.816 -7.865 -2.899 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -4.094 -9.173 -1.956 1.00 10.00 H new ATOM 1177 N GLN A 89 0.770 -6.685 -7.316 1.00 10.00 N ATOM 1178 CA GLN A 89 1.663 -7.083 -8.393 1.00 10.00 C ATOM 1179 C GLN A 89 1.660 -8.601 -8.547 1.00 10.00 C ATOM 1180 O GLN A 89 1.856 -9.330 -7.573 1.00 10.00 O ATOM 1181 CB GLN A 89 3.087 -6.587 -8.111 1.00 10.00 C ATOM 1182 CG GLN A 89 4.066 -6.853 -9.243 1.00 10.00 C ATOM 1183 CD GLN A 89 3.764 -6.035 -10.485 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.265 -4.913 -10.401 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.061 -6.594 -11.646 1.00 10.00 N ATOM 0 H GLN A 89 1.247 -6.382 -6.467 1.00 10.00 H new ATOM 0 HA GLN A 89 1.311 -6.634 -9.322 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.056 -5.515 -7.915 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.456 -7.067 -7.204 1.00 10.00 H new ATOM 0 HG2 GLN A 89 5.077 -6.629 -8.903 1.00 10.00 H new ATOM 0 HG3 GLN A 89 4.042 -7.913 -9.497 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.474 -7.526 -11.672 1.00 10.00 H new ATOM 0 HE22 GLN A 89 3.877 -6.093 -12.515 1.00 10.00 H new ATOM 1194 N GLN A 90 1.424 -9.064 -9.766 1.00 10.00 N ATOM 1195 CA GLN A 90 1.393 -10.492 -10.053 1.00 10.00 C ATOM 1196 C GLN A 90 2.766 -11.113 -9.817 1.00 10.00 C ATOM 1197 O GLN A 90 3.782 -10.600 -10.290 1.00 10.00 O ATOM 1198 CB GLN A 90 0.939 -10.745 -11.495 1.00 10.00 C ATOM 1199 CG GLN A 90 -0.526 -10.412 -11.746 1.00 10.00 C ATOM 1200 CD GLN A 90 -0.786 -8.921 -11.834 1.00 10.00 C ATOM 1201 OE1 GLN A 90 0.080 -8.147 -12.245 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -1.979 -8.503 -11.445 1.00 10.00 N ATOM 0 H GLN A 90 1.250 -8.469 -10.576 1.00 10.00 H new ATOM 0 HA GLN A 90 0.676 -10.960 -9.378 1.00 10.00 H new ATOM 0 HB2 GLN A 90 1.557 -10.153 -12.170 1.00 10.00 H new ATOM 0 HB3 GLN A 90 1.111 -11.793 -11.742 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -0.848 -10.887 -12.673 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -1.132 -10.835 -10.944 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -2.670 -9.174 -11.111 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -2.208 -7.510 -11.480 1.00 10.00 H new ATOM 1211 N THR A 91 2.787 -12.211 -9.075 1.00 10.00 N ATOM 1212 CA THR A 91 4.024 -12.908 -8.758 1.00 10.00 C ATOM 1213 C THR A 91 4.665 -13.505 -10.012 1.00 10.00 C ATOM 1214 O THR A 91 5.888 -13.554 -10.133 1.00 10.00 O ATOM 1215 CB THR A 91 3.758 -14.023 -7.738 1.00 10.00 C ATOM 1216 OG1 THR A 91 2.500 -13.780 -7.090 1.00 10.00 O ATOM 1217 CG2 THR A 91 4.868 -14.089 -6.700 1.00 10.00 C ATOM 0 H THR A 91 1.952 -12.641 -8.678 1.00 10.00 H new ATOM 0 HA THR A 91 4.714 -12.180 -8.332 1.00 10.00 H new ATOM 0 HB THR A 91 3.728 -14.978 -8.263 1.00 10.00 H new ATOM 0 HG1 THR A 91 1.784 -14.230 -7.586 1.00 10.00 H new ATOM 0 HG21 THR A 91 4.655 -14.887 -5.989 1.00 10.00 H new ATOM 0 HG22 THR A 91 5.818 -14.289 -7.196 1.00 10.00 H new ATOM 0 HG23 THR A 91 4.928 -13.138 -6.170 1.00 10.00 H new ATOM 1225 N GLY A 92 3.838 -13.946 -10.947 1.00 10.00 N ATOM 1226 CA GLY A 92 4.351 -14.525 -12.168 1.00 10.00 C ATOM 1227 C GLY A 92 3.339 -15.433 -12.821 1.00 10.00 C ATOM 1228 O GLY A 92 2.124 -15.206 -12.624 1.00 10.00 O ATOM 0 H GLY A 92 2.821 -13.913 -10.881 1.00 10.00 H new ATOM 0 HA2 GLY A 92 4.627 -13.730 -12.860 1.00 10.00 H new ATOM 0 HA3 GLY A 92 5.259 -15.088 -11.951 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -19.728 -3.068 6.211 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.917 -1.839 6.150 1.00 10.00 C ATOM 1235 C ASN B 357 -17.626 -2.027 6.930 1.00 10.00 C ATOM 1236 O ASN B 357 -17.652 -2.292 8.129 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.706 -0.663 6.736 1.00 10.00 C ATOM 1238 CG ASN B 357 -19.076 0.693 6.450 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -17.913 0.792 6.062 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -19.841 1.756 6.659 1.00 10.00 N ATOM 0 HA ASN B 357 -18.677 -1.627 5.108 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -20.718 -0.677 6.332 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.792 -0.795 7.815 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -19.469 2.692 6.498 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -20.802 1.638 6.981 1.00 10.00 H new ATOM 1247 N ASN B 358 -16.497 -1.885 6.248 1.00 10.00 N ATOM 1248 CA ASN B 358 -15.202 -2.011 6.894 1.00 10.00 C ATOM 1249 C ASN B 358 -14.475 -0.685 6.772 1.00 10.00 C ATOM 1250 O ASN B 358 -14.253 -0.191 5.669 1.00 10.00 O ATOM 1251 CB ASN B 358 -14.382 -3.133 6.227 1.00 10.00 C ATOM 1252 CG ASN B 358 -13.011 -3.322 6.848 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.824 -3.113 8.049 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -12.045 -3.736 6.037 1.00 10.00 N ATOM 0 H ASN B 358 -16.454 -1.683 5.249 1.00 10.00 H new ATOM 0 HA ASN B 358 -15.333 -2.267 7.945 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -14.937 -4.069 6.295 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -14.266 -2.908 5.167 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -11.105 -3.893 6.402 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -12.242 -3.897 5.049 1.00 10.00 H new ATOM 1261 N ARG B 359 -14.101 -0.119 7.906 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.420 1.161 7.913 1.00 10.00 C ATOM 1263 C ARG B 359 -12.094 1.096 8.656 1.00 10.00 C ATOM 1264 O ARG B 359 -12.006 0.579 9.774 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.323 2.259 8.495 1.00 10.00 C ATOM 1266 CG ARG B 359 -14.725 2.040 9.944 1.00 10.00 C ATOM 1267 CD ARG B 359 -15.414 3.269 10.518 1.00 10.00 C ATOM 1268 NE ARG B 359 -15.848 3.067 11.895 1.00 10.00 N ATOM 1269 CZ ARG B 359 -16.495 3.983 12.613 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -16.744 5.179 12.097 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -16.881 3.707 13.852 1.00 10.00 N ATOM 0 H ARG B 359 -14.257 -0.524 8.829 1.00 10.00 H new ATOM 0 HA ARG B 359 -13.197 1.414 6.877 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.808 3.216 8.414 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -15.225 2.330 7.887 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.392 1.181 10.013 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.841 1.805 10.537 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -14.732 4.118 10.475 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.276 3.521 9.901 1.00 10.00 H new ATOM 0 HE ARG B 359 -15.644 2.170 12.335 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -16.440 5.399 11.149 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -17.240 5.879 12.649 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -16.682 2.792 14.256 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -17.376 4.410 14.400 1.00 10.00 H new ATOM 1285 N ASP B 360 -11.065 1.607 8.012 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.735 1.664 8.591 1.00 10.00 C ATOM 1287 C ASP B 360 -9.307 3.130 8.629 1.00 10.00 C ATOM 1288 O ASP B 360 -9.511 3.854 7.657 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.734 0.800 7.810 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.437 0.607 8.568 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.542 1.456 8.447 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.316 -0.396 9.304 1.00 10.00 O ATOM 0 H ASP B 360 -11.125 1.996 7.071 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.753 1.255 9.601 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -9.180 -0.172 7.602 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.525 1.268 6.848 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.739 3.620 9.736 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.366 5.015 9.855 1.00 10.00 C ATOM 1299 C PRO B 361 -6.859 5.230 9.853 1.00 10.00 C ATOM 1300 O PRO B 361 -6.131 4.704 10.691 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.925 5.309 11.247 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.766 4.012 12.012 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.487 2.918 10.995 1.00 10.00 C ATOM 0 HA PRO B 361 -8.729 5.637 9.037 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.380 6.121 11.728 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.971 5.613 11.197 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -7.949 4.087 12.730 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.669 3.788 12.580 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.464 2.548 11.061 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.146 2.059 11.125 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.405 6.077 8.941 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.988 6.337 8.788 1.00 10.00 C ATOM 1313 C ILE B 362 -4.664 7.802 9.014 1.00 10.00 C ATOM 1314 O ILE B 362 -5.327 8.698 8.495 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.466 5.896 7.407 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -5.000 4.497 7.066 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -2.937 5.909 7.381 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -4.387 3.897 5.823 1.00 10.00 C ATOM 0 H ILE B 362 -7.002 6.595 8.296 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.483 5.744 9.550 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.824 6.600 6.656 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -4.814 3.832 7.909 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -6.081 4.552 6.936 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.587 5.595 6.398 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.578 6.917 7.589 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.554 5.225 8.138 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.814 2.910 5.647 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.595 4.540 4.968 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -3.309 3.808 5.956 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.635 8.021 9.793 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.183 9.349 10.128 1.00 10.00 C ATOM 1332 C VAL B 363 -1.799 9.549 9.549 1.00 10.00 C ATOM 1333 O VAL B 363 -0.953 8.654 9.600 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.160 9.583 11.655 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.874 11.045 11.989 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.472 9.137 12.284 1.00 10.00 C ATOM 0 H VAL B 363 -3.082 7.276 10.217 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.881 10.071 9.705 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.352 8.982 12.072 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.865 11.176 13.071 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -1.904 11.328 11.581 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.649 11.676 11.554 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.437 9.310 13.360 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.295 9.706 11.852 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.625 8.075 12.092 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.592 10.710 8.982 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.344 11.057 8.344 1.00 10.00 C ATOM 1348 C ILE B 364 0.362 12.114 9.157 1.00 10.00 C ATOM 1349 O ILE B 364 -0.272 12.953 9.800 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.515 11.532 6.881 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.513 10.842 5.978 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.374 13.044 6.770 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.576 9.350 6.196 1.00 10.00 C ATOM 0 H ILE B 364 -2.292 11.451 8.949 1.00 10.00 H new ATOM 0 HA ILE B 364 0.256 10.148 8.302 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.519 11.261 6.556 1.00 10.00 H new ATOM 0 HG12 ILE B 364 0.266 11.042 4.935 1.00 10.00 H new ATOM 0 HG13 ILE B 364 1.497 11.273 6.161 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.499 13.346 5.730 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -1.136 13.526 7.382 1.00 10.00 H new ATOM 0 HG23 ILE B 364 0.614 13.344 7.118 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.321 8.916 5.529 1.00 10.00 H new ATOM 0 HD12 ILE B 364 0.851 9.145 7.230 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -0.399 8.910 5.986 1.00 10.00 H new HETATM 1365 N SEP B 365 1.671 12.053 9.148 1.00 10.00 N HETATM 1366 CA SEP B 365 2.468 12.955 9.923 1.00 10.00 C HETATM 1367 CB SEP B 365 3.609 12.150 10.540 1.00 10.00 C HETATM 1368 OG SEP B 365 4.036 11.145 9.620 1.00 10.00 O HETATM 1369 C SEP B 365 3.028 14.018 9.006 1.00 10.00 C HETATM 1370 O SEP B 365 3.596 13.725 7.951 1.00 10.00 O HETATM 1371 P SEP B 365 5.212 10.127 9.989 1.00 10.00 P HETATM 1372 O1P SEP B 365 5.057 8.789 9.390 1.00 10.00 O HETATM 1373 O2P SEP B 365 5.561 10.094 11.422 1.00 10.00 O HETATM 1374 O3P SEP B 365 6.517 10.725 9.279 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.441 12.809 10.787 1.00 10.00 H new HETATM 0 HB2 SEP B 365 3.281 11.689 11.472 1.00 10.00 H new HETATM 0 HA SEP B 365 1.878 13.432 10.705 1.00 10.00 H new HETATM 0 H SEP B 365 1.924 11.066 9.095 1.00 10.00 H new ATOM 1379 N ASP B 366 2.817 15.261 9.403 1.00 10.00 N ATOM 1380 CA ASP B 366 3.257 16.393 8.625 1.00 10.00 C ATOM 1381 C ASP B 366 4.232 17.223 9.432 1.00 10.00 C ATOM 1382 O ASP B 366 3.958 17.594 10.578 1.00 10.00 O ATOM 1383 CB ASP B 366 2.045 17.240 8.229 1.00 10.00 C ATOM 1384 CG ASP B 366 2.285 18.079 6.995 1.00 10.00 C ATOM 1385 OD1 ASP B 366 1.985 19.294 7.029 1.00 10.00 O ATOM 1386 OD2 ASP B 366 2.753 17.527 5.980 1.00 10.00 O ATOM 0 H ASP B 366 2.338 15.507 10.269 1.00 10.00 H new ATOM 0 HA ASP B 366 3.759 16.042 7.723 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.192 16.584 8.055 1.00 10.00 H new ATOM 0 HB3 ASP B 366 1.779 17.894 9.060 1.00 10.00 H new HETATM 1391 N SEP B 367 5.372 17.483 8.844 1.00 10.00 N HETATM 1392 CA SEP B 367 6.400 18.260 9.490 1.00 10.00 C HETATM 1393 CB SEP B 367 7.749 17.858 8.907 1.00 10.00 C HETATM 1394 OG SEP B 367 7.877 16.437 8.917 1.00 10.00 O HETATM 1395 C SEP B 367 6.127 19.747 9.315 1.00 10.00 C HETATM 1396 O SEP B 367 5.867 20.214 8.206 1.00 10.00 O HETATM 1397 P SEP B 367 7.807 15.607 7.550 1.00 10.00 P HETATM 1398 O1P SEP B 367 8.504 16.250 6.423 1.00 10.00 O HETATM 1399 O2P SEP B 367 8.124 14.175 7.703 1.00 10.00 O HETATM 1400 O3P SEP B 367 6.267 15.618 7.122 1.00 10.00 O HETATM 0 HB3 SEP B 367 7.841 18.233 7.888 1.00 10.00 H new HETATM 0 HB2 SEP B 367 8.555 18.309 9.487 1.00 10.00 H new HETATM 0 HA SEP B 367 6.408 18.063 10.562 1.00 10.00 H new HETATM 0 H SEP B 367 5.622 16.803 8.126 1.00 10.00 H new ATOM 1405 N PRO B 368 6.129 20.499 10.426 1.00 10.00 N ATOM 1406 CA PRO B 368 5.872 21.942 10.404 1.00 10.00 C ATOM 1407 C PRO B 368 6.798 22.671 9.440 1.00 10.00 C ATOM 1408 O PRO B 368 6.290 23.308 8.498 1.00 10.00 O ATOM 1409 CB PRO B 368 6.139 22.382 11.845 1.00 10.00 C ATOM 1410 CG PRO B 368 5.944 21.156 12.663 1.00 10.00 C ATOM 1411 CD PRO B 368 6.378 20.005 11.798 1.00 10.00 C ATOM 0 HA PRO B 368 4.863 22.172 10.063 1.00 10.00 H new ATOM 0 HB2 PRO B 368 7.150 22.775 11.957 1.00 10.00 H new ATOM 0 HB3 PRO B 368 5.454 23.173 12.150 1.00 10.00 H new ATOM 0 HG2 PRO B 368 6.534 21.200 13.578 1.00 10.00 H new ATOM 0 HG3 PRO B 368 4.901 21.048 12.961 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.429 19.759 11.953 1.00 10.00 H new ATOM 0 HD3 PRO B 368 5.805 19.103 12.011 1.00 10.00 H new TER 1419 PRO B 368