USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 874 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 94 LYS NZ :NH3+ -155:sc= 1.18 (180deg=-0.301) USER MOD Set 1.2: A 95 TYR OH : rot -137:sc= -0.679! USER MOD Set 2.1: A 23 TYR OH : rot 30:sc= 0.0149 USER MOD Set 2.2: A 45 GLN : amide:sc= -4.37! C(o=-4.4!,f=-4.6!) USER MOD Single : A 1 TYR N :NH3+ -171:sc= 0.583 (180deg=0.446) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= -0.891 (180deg=-1.22) USER MOD Single : A 9 ASN : amide:sc= -4.03! C(o=-4!,f=-12!) USER MOD Single : A 11 GLN : amide:sc= -1.07 X(o=-1.1,f=-0.93) USER MOD Single : A 16 ASN : amide:sc= 1.68 K(o=1.7,f=-6.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 45:sc= -0.158 USER MOD Single : A 24 MET CE :methyl 154:sc= 0 (180deg=-0.745) USER MOD Single : A 30 LYS NZ :NH3+ -113:sc= 0.927 (180deg=-0.0775!) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.0433 (180deg=-0.399) USER MOD Single : A 34 THR OG1 : rot -150:sc= 1.25 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= 1.94 (180deg=1.67) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.487 USER MOD Single : A 59 GLN : amide:sc= -4.57! C(o=-4.6!,f=-3!) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.01) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -81:sc=-0.00313 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.533 USER MOD Single : A 72 LYS NZ :NH3+ -127:sc= 1.06 (180deg=-0.00703) USER MOD Single : A 73 ASN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00539) USER MOD Single : A 82 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 84 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.018) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 159:sc= 0.994 (180deg=0.554) USER MOD Single : A 100 LYS NZ :NH3+ -112:sc= 1.08 (180deg=0.506) USER MOD Single : A 102 LYS NZ :NH3+ 170:sc= 1.44 (180deg=-0.0689) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -21.789 -2.396 -0.132 1.00 0.00 N ATOM 2 CA TYR A 1 -21.184 -1.079 -0.379 1.00 0.00 C ATOM 3 C TYR A 1 -20.765 -0.439 0.938 1.00 0.00 C ATOM 4 O TYR A 1 -20.297 0.697 0.979 1.00 0.00 O ATOM 5 CB TYR A 1 -22.155 -0.157 -1.156 1.00 0.00 C ATOM 6 CG TYR A 1 -23.453 0.187 -0.433 1.00 0.00 C ATOM 7 CD1 TYR A 1 -24.587 -0.606 -0.564 1.00 0.00 C ATOM 8 CD2 TYR A 1 -23.540 1.317 0.369 1.00 0.00 C ATOM 9 CE1 TYR A 1 -25.761 -0.281 0.088 1.00 0.00 C ATOM 10 CE2 TYR A 1 -24.705 1.640 1.020 1.00 0.00 C ATOM 11 CZ TYR A 1 -25.811 0.842 0.879 1.00 0.00 C ATOM 12 OH TYR A 1 -26.989 1.182 1.524 1.00 0.00 O ATOM 0 H1 TYR A 1 -21.931 -2.888 -1.037 1.00 0.00 H new ATOM 0 H2 TYR A 1 -21.158 -2.960 0.473 1.00 0.00 H new ATOM 0 H3 TYR A 1 -22.706 -2.273 0.343 1.00 0.00 H new ATOM 0 HA TYR A 1 -20.296 -1.218 -0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -21.635 0.771 -1.394 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -22.403 -0.636 -2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -24.550 -1.489 -1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -22.675 1.954 0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -26.635 -0.906 -0.023 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -24.750 2.522 1.642 1.00 0.00 H new ATOM 0 HH TYR A 1 -26.853 2.002 2.043 1.00 0.00 H new ATOM 24 N THR A 2 -20.960 -1.171 1.999 1.00 0.00 N ATOM 25 CA THR A 2 -20.550 -0.787 3.315 1.00 0.00 C ATOM 26 C THR A 2 -19.822 -2.016 3.822 1.00 0.00 C ATOM 27 O THR A 2 -20.079 -2.547 4.910 1.00 0.00 O ATOM 28 CB THR A 2 -21.801 -0.472 4.174 1.00 0.00 C ATOM 29 OG1 THR A 2 -22.659 0.409 3.428 1.00 0.00 O ATOM 30 CG2 THR A 2 -21.414 0.231 5.472 1.00 0.00 C ATOM 0 H THR A 2 -21.423 -2.079 1.968 1.00 0.00 H new ATOM 0 HA THR A 2 -19.925 0.105 3.347 1.00 0.00 H new ATOM 0 HB THR A 2 -22.302 -1.410 4.414 1.00 0.00 H new ATOM 0 HG1 THR A 2 -23.456 0.616 3.959 1.00 0.00 H new ATOM 0 HG21 THR A 2 -22.311 0.440 6.054 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.748 -0.411 6.049 1.00 0.00 H new ATOM 0 HG23 THR A 2 -20.906 1.167 5.241 1.00 0.00 H new ATOM 38 N ASP A 3 -18.926 -2.452 2.967 1.00 0.00 N ATOM 39 CA ASP A 3 -18.208 -3.705 3.043 1.00 0.00 C ATOM 40 C ASP A 3 -17.417 -3.813 1.769 1.00 0.00 C ATOM 41 O ASP A 3 -17.978 -3.662 0.671 1.00 0.00 O ATOM 42 CB ASP A 3 -19.170 -4.929 3.159 1.00 0.00 C ATOM 43 CG ASP A 3 -20.155 -5.070 1.990 1.00 0.00 C ATOM 44 OD1 ASP A 3 -21.083 -4.213 1.845 1.00 0.00 O ATOM 45 OD2 ASP A 3 -20.057 -6.040 1.213 1.00 0.00 O ATOM 0 H ASP A 3 -18.662 -1.906 2.147 1.00 0.00 H new ATOM 0 HA ASP A 3 -17.577 -3.716 3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -18.574 -5.839 3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -19.735 -4.846 4.087 1.00 0.00 H new ATOM 50 N LYS A 4 -16.129 -4.012 1.910 1.00 0.00 N ATOM 51 CA LYS A 4 -15.172 -4.090 0.799 1.00 0.00 C ATOM 52 C LYS A 4 -15.047 -2.757 0.060 1.00 0.00 C ATOM 53 O LYS A 4 -15.922 -1.924 0.140 1.00 0.00 O ATOM 54 CB LYS A 4 -15.478 -5.202 -0.214 1.00 0.00 C ATOM 55 CG LYS A 4 -15.446 -6.616 0.329 1.00 0.00 C ATOM 56 CD LYS A 4 -15.622 -7.628 -0.798 1.00 0.00 C ATOM 57 CE LYS A 4 -16.976 -7.505 -1.496 1.00 0.00 C ATOM 58 NZ LYS A 4 -17.101 -8.462 -2.613 1.00 0.00 N ATOM 0 H LYS A 4 -15.690 -4.130 2.823 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.223 -4.337 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.465 -5.019 -0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.760 -5.131 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.500 -6.794 0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.237 -6.745 1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.827 -7.491 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.515 -8.635 -0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -17.775 -7.680 -0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.102 -6.489 -1.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.032 -8.350 -3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.354 -8.279 -3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.006 -9.432 -2.251 1.00 0.00 H new ATOM 72 N TYR A 5 -13.941 -2.607 -0.687 1.00 0.00 N ATOM 73 CA TYR A 5 -13.552 -1.388 -1.464 1.00 0.00 C ATOM 74 C TYR A 5 -13.560 -0.090 -0.692 1.00 0.00 C ATOM 75 O TYR A 5 -12.518 0.527 -0.492 1.00 0.00 O ATOM 76 CB TYR A 5 -14.219 -1.201 -2.873 1.00 0.00 C ATOM 77 CG TYR A 5 -15.689 -1.569 -2.987 1.00 0.00 C ATOM 78 CD1 TYR A 5 -16.077 -2.869 -3.303 1.00 0.00 C ATOM 79 CD2 TYR A 5 -16.691 -0.626 -2.771 1.00 0.00 C ATOM 80 CE1 TYR A 5 -17.409 -3.216 -3.403 1.00 0.00 C ATOM 81 CE2 TYR A 5 -18.027 -0.965 -2.869 1.00 0.00 C ATOM 82 CZ TYR A 5 -18.381 -2.259 -3.184 1.00 0.00 C ATOM 83 OH TYR A 5 -19.720 -2.602 -3.288 1.00 0.00 O ATOM 0 H TYR A 5 -13.255 -3.356 -0.779 1.00 0.00 H new ATOM 0 HA TYR A 5 -12.510 -1.636 -1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -14.106 -0.158 -3.167 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -13.662 -1.798 -3.595 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -15.320 -3.620 -3.473 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -16.419 0.389 -2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -17.690 -4.229 -3.651 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -18.790 -0.220 -2.700 1.00 0.00 H new ATOM 0 HH TYR A 5 -20.274 -1.815 -3.103 1.00 0.00 H new ATOM 93 N ASP A 6 -14.694 0.269 -0.224 1.00 0.00 N ATOM 94 CA ASP A 6 -14.954 1.518 0.378 1.00 0.00 C ATOM 95 C ASP A 6 -14.335 1.615 1.759 1.00 0.00 C ATOM 96 O ASP A 6 -13.745 2.637 2.103 1.00 0.00 O ATOM 97 CB ASP A 6 -16.482 1.764 0.443 1.00 0.00 C ATOM 98 CG ASP A 6 -17.143 1.348 1.754 1.00 0.00 C ATOM 99 OD1 ASP A 6 -17.351 0.157 2.002 1.00 0.00 O ATOM 100 OD2 ASP A 6 -17.450 2.246 2.563 1.00 0.00 O ATOM 0 H ASP A 6 -15.514 -0.337 -0.253 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.494 2.292 -0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.672 2.824 0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.958 1.223 -0.375 1.00 0.00 H new ATOM 105 N LYS A 7 -14.318 0.525 2.483 1.00 0.00 N ATOM 106 CA LYS A 7 -13.987 0.618 3.888 1.00 0.00 C ATOM 107 C LYS A 7 -12.641 -0.068 4.218 1.00 0.00 C ATOM 108 O LYS A 7 -11.785 -0.256 3.327 1.00 0.00 O ATOM 109 CB LYS A 7 -15.148 0.054 4.740 1.00 0.00 C ATOM 110 CG LYS A 7 -15.316 0.739 6.111 1.00 0.00 C ATOM 111 CD LYS A 7 -15.871 2.166 5.978 1.00 0.00 C ATOM 112 CE LYS A 7 -17.412 2.212 5.956 1.00 0.00 C ATOM 113 NZ LYS A 7 -18.024 1.342 4.930 1.00 0.00 N ATOM 0 H LYS A 7 -14.523 -0.413 2.139 1.00 0.00 H new ATOM 0 HA LYS A 7 -13.855 1.671 4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -16.077 0.155 4.180 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.984 -1.012 4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -15.987 0.146 6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.353 0.771 6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.507 2.771 6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.486 2.616 5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -17.788 1.920 6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -17.732 3.240 5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -19.037 1.562 4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.559 1.505 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -17.907 0.346 5.205 1.00 0.00 H new ATOM 127 N ILE A 8 -12.485 -0.438 5.483 1.00 0.00 N ATOM 128 CA ILE A 8 -11.262 -0.985 6.126 1.00 0.00 C ATOM 129 C ILE A 8 -10.907 -2.407 5.659 1.00 0.00 C ATOM 130 O ILE A 8 -10.444 -3.232 6.435 1.00 0.00 O ATOM 131 CB ILE A 8 -11.498 -1.056 7.654 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.809 -1.835 7.949 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.542 0.349 8.254 1.00 0.00 C ATOM 134 CD1 ILE A 8 -12.994 -2.228 9.399 1.00 0.00 C ATOM 0 H ILE A 8 -13.256 -0.365 6.147 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.442 -0.322 5.850 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.669 -1.589 8.120 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.657 -1.224 7.641 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.827 -2.736 7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.709 0.281 9.329 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.595 0.855 8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.353 0.915 7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.934 -2.767 9.513 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.169 -2.868 9.711 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.012 -1.332 10.019 1.00 0.00 H new ATOM 146 N ASN A 9 -11.032 -2.646 4.406 1.00 0.00 N ATOM 147 CA ASN A 9 -10.770 -3.961 3.853 1.00 0.00 C ATOM 148 C ASN A 9 -9.414 -3.982 3.124 1.00 0.00 C ATOM 149 O ASN A 9 -9.227 -4.734 2.187 1.00 0.00 O ATOM 150 CB ASN A 9 -11.902 -4.334 2.874 1.00 0.00 C ATOM 151 CG ASN A 9 -11.823 -3.700 1.492 1.00 0.00 C ATOM 152 OD1 ASN A 9 -12.205 -4.338 0.537 1.00 0.00 O ATOM 153 ND2 ASN A 9 -11.434 -2.421 1.349 1.00 0.00 N ATOM 0 H ASN A 9 -11.318 -1.949 3.719 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.732 -4.688 4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.911 -5.417 2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.854 -4.055 3.326 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.459 -1.980 0.430 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.114 -1.892 2.160 1.00 0.00 H new ATOM 160 N LEU A 10 -8.440 -3.263 3.653 1.00 0.00 N ATOM 161 CA LEU A 10 -7.177 -3.000 2.934 1.00 0.00 C ATOM 162 C LEU A 10 -6.427 -4.285 2.642 1.00 0.00 C ATOM 163 O LEU A 10 -5.851 -4.450 1.580 1.00 0.00 O ATOM 164 CB LEU A 10 -6.246 -2.018 3.689 1.00 0.00 C ATOM 165 CG LEU A 10 -6.878 -0.713 4.203 1.00 0.00 C ATOM 166 CD1 LEU A 10 -7.396 -0.841 5.624 1.00 0.00 C ATOM 167 CD2 LEU A 10 -5.905 0.410 4.107 1.00 0.00 C ATOM 0 H LEU A 10 -8.487 -2.843 4.581 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.466 -2.529 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.817 -2.545 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.420 -1.757 3.027 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.736 -0.501 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.832 0.107 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.156 -1.621 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.573 -1.101 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.369 1.325 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.025 0.182 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.608 0.546 3.067 1.00 0.00 H new ATOM 179 N GLN A 11 -6.483 -5.184 3.574 1.00 0.00 N ATOM 180 CA GLN A 11 -5.831 -6.470 3.483 1.00 0.00 C ATOM 181 C GLN A 11 -6.621 -7.449 2.661 1.00 0.00 C ATOM 182 O GLN A 11 -6.049 -8.351 2.042 1.00 0.00 O ATOM 183 CB GLN A 11 -5.532 -7.022 4.863 1.00 0.00 C ATOM 184 CG GLN A 11 -4.238 -6.511 5.484 1.00 0.00 C ATOM 185 CD GLN A 11 -4.062 -4.996 5.417 1.00 0.00 C ATOM 186 OE1 GLN A 11 -4.498 -4.263 6.293 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.379 -4.529 4.391 1.00 0.00 N ATOM 0 H GLN A 11 -6.995 -5.048 4.446 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.884 -6.318 2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.361 -6.774 5.526 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.486 -8.109 4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.202 -6.823 6.528 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.396 -6.985 4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.029 -5.169 3.677 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.200 -3.528 4.311 1.00 0.00 H new ATOM 196 N GLU A 12 -7.931 -7.256 2.615 1.00 0.00 N ATOM 197 CA GLU A 12 -8.786 -8.148 1.863 1.00 0.00 C ATOM 198 C GLU A 12 -8.622 -7.780 0.418 1.00 0.00 C ATOM 199 O GLU A 12 -8.777 -8.602 -0.499 1.00 0.00 O ATOM 200 CB GLU A 12 -10.238 -7.985 2.296 1.00 0.00 C ATOM 201 CG GLU A 12 -10.436 -8.077 3.802 1.00 0.00 C ATOM 202 CD GLU A 12 -9.835 -9.329 4.398 1.00 0.00 C ATOM 203 OE1 GLU A 12 -10.451 -10.409 4.287 1.00 0.00 O ATOM 204 OE2 GLU A 12 -8.761 -9.248 5.020 1.00 0.00 O ATOM 0 H GLU A 12 -8.418 -6.494 3.087 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.515 -9.190 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.607 -7.020 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.842 -8.752 1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.988 -7.204 4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.502 -8.050 4.026 1.00 0.00 H new ATOM 211 N ILE A 13 -8.293 -6.521 0.232 1.00 0.00 N ATOM 212 CA ILE A 13 -7.956 -6.009 -1.029 1.00 0.00 C ATOM 213 C ILE A 13 -6.612 -6.534 -1.438 1.00 0.00 C ATOM 214 O ILE A 13 -6.522 -7.306 -2.357 1.00 0.00 O ATOM 215 CB ILE A 13 -7.888 -4.473 -1.057 1.00 0.00 C ATOM 216 CG1 ILE A 13 -9.236 -3.803 -0.805 1.00 0.00 C ATOM 217 CG2 ILE A 13 -7.319 -4.019 -2.355 1.00 0.00 C ATOM 218 CD1 ILE A 13 -10.335 -4.202 -1.753 1.00 0.00 C ATOM 0 H ILE A 13 -8.259 -5.831 0.983 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.743 -6.328 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.238 -4.169 -0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.554 -4.033 0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.103 -2.723 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.273 -2.930 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.315 -4.427 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.952 -4.367 -3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -11.251 -3.673 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.047 -3.946 -2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.504 -5.276 -1.682 1.00 0.00 H new ATOM 230 N LEU A 14 -5.591 -6.122 -0.678 1.00 0.00 N ATOM 231 CA LEU A 14 -4.164 -6.386 -0.910 1.00 0.00 C ATOM 232 C LEU A 14 -3.862 -7.853 -1.256 1.00 0.00 C ATOM 233 O LEU A 14 -2.897 -8.161 -1.947 1.00 0.00 O ATOM 234 CB LEU A 14 -3.435 -5.993 0.361 1.00 0.00 C ATOM 235 CG LEU A 14 -1.947 -5.787 0.279 1.00 0.00 C ATOM 236 CD1 LEU A 14 -1.629 -4.642 -0.673 1.00 0.00 C ATOM 237 CD2 LEU A 14 -1.415 -5.491 1.660 1.00 0.00 C ATOM 0 H LEU A 14 -5.745 -5.565 0.162 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.835 -5.808 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.881 -5.070 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.626 -6.763 1.109 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.471 -6.690 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.549 -4.501 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.013 -4.877 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.097 -3.727 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.337 -5.340 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.890 -4.590 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.634 -6.329 2.322 1.00 0.00 H new ATOM 249 N GLU A 15 -4.686 -8.722 -0.760 1.00 0.00 N ATOM 250 CA GLU A 15 -4.582 -10.136 -0.975 1.00 0.00 C ATOM 251 C GLU A 15 -5.006 -10.572 -2.410 1.00 0.00 C ATOM 252 O GLU A 15 -4.477 -11.542 -2.963 1.00 0.00 O ATOM 253 CB GLU A 15 -5.422 -10.807 0.109 1.00 0.00 C ATOM 254 CG GLU A 15 -5.615 -12.297 -0.014 1.00 0.00 C ATOM 255 CD GLU A 15 -6.369 -12.840 1.158 1.00 0.00 C ATOM 256 OE1 GLU A 15 -7.623 -12.865 1.128 1.00 0.00 O ATOM 257 OE2 GLU A 15 -5.725 -13.236 2.136 1.00 0.00 O ATOM 0 H GLU A 15 -5.478 -8.460 -0.173 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.540 -10.447 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.960 -10.602 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.405 -10.336 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.155 -12.522 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.644 -12.788 -0.085 1.00 0.00 H new ATOM 264 N ASN A 16 -5.881 -9.818 -3.028 1.00 0.00 N ATOM 265 CA ASN A 16 -6.492 -10.221 -4.289 1.00 0.00 C ATOM 266 C ASN A 16 -6.428 -9.077 -5.298 1.00 0.00 C ATOM 267 O ASN A 16 -7.051 -8.060 -5.079 1.00 0.00 O ATOM 268 CB ASN A 16 -7.983 -10.541 -4.053 1.00 0.00 C ATOM 269 CG ASN A 16 -8.269 -11.581 -2.977 1.00 0.00 C ATOM 270 OD1 ASN A 16 -8.333 -12.771 -3.249 1.00 0.00 O ATOM 271 ND2 ASN A 16 -8.499 -11.138 -1.768 1.00 0.00 N ATOM 0 H ASN A 16 -6.194 -8.911 -2.681 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.955 -11.091 -4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.497 -9.617 -3.787 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.415 -10.887 -4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.739 -11.791 -1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.438 -10.139 -1.571 1.00 0.00 H new ATOM 278 N LYS A 17 -5.719 -9.253 -6.427 1.00 0.00 N ATOM 279 CA LYS A 17 -5.592 -8.183 -7.452 1.00 0.00 C ATOM 280 C LYS A 17 -6.948 -7.655 -7.943 1.00 0.00 C ATOM 281 O LYS A 17 -7.091 -6.472 -8.215 1.00 0.00 O ATOM 282 CB LYS A 17 -4.683 -8.561 -8.654 1.00 0.00 C ATOM 283 CG LYS A 17 -5.206 -9.628 -9.628 1.00 0.00 C ATOM 284 CD LYS A 17 -5.172 -11.035 -9.063 1.00 0.00 C ATOM 285 CE LYS A 17 -5.713 -12.026 -10.079 1.00 0.00 C ATOM 286 NZ LYS A 17 -5.644 -13.427 -9.609 1.00 0.00 N ATOM 0 H LYS A 17 -5.226 -10.116 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.090 -7.373 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.484 -7.654 -9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.727 -8.905 -8.258 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.231 -9.382 -9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.611 -9.598 -10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.150 -11.301 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.764 -11.081 -8.149 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.749 -11.775 -10.308 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.150 -11.931 -11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.026 -14.058 -10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.654 -13.680 -9.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.203 -13.529 -8.738 1.00 0.00 H new ATOM 300 N ARG A 18 -7.947 -8.533 -8.007 1.00 0.00 N ATOM 301 CA ARG A 18 -9.300 -8.109 -8.385 1.00 0.00 C ATOM 302 C ARG A 18 -9.861 -7.133 -7.344 1.00 0.00 C ATOM 303 O ARG A 18 -10.539 -6.153 -7.666 1.00 0.00 O ATOM 304 CB ARG A 18 -10.277 -9.299 -8.643 1.00 0.00 C ATOM 305 CG ARG A 18 -10.409 -10.343 -7.519 1.00 0.00 C ATOM 306 CD ARG A 18 -9.361 -11.449 -7.622 1.00 0.00 C ATOM 307 NE ARG A 18 -9.399 -12.383 -6.475 1.00 0.00 N ATOM 308 CZ ARG A 18 -8.975 -13.666 -6.511 1.00 0.00 C ATOM 309 NH1 ARG A 18 -8.794 -14.273 -7.665 1.00 0.00 N ATOM 310 NH2 ARG A 18 -8.798 -14.342 -5.389 1.00 0.00 N ATOM 0 H ARG A 18 -7.852 -9.528 -7.806 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.214 -7.594 -9.342 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.267 -8.889 -8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.955 -9.813 -9.549 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.315 -9.846 -6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.404 -10.786 -7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.518 -12.007 -8.545 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.370 -11.000 -7.686 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.772 -12.033 -5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.974 -13.775 -8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.474 -15.241 -7.687 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.982 -13.896 -4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.478 -15.310 -5.422 1.00 0.00 H new ATOM 324 N LEU A 19 -9.498 -7.356 -6.107 1.00 0.00 N ATOM 325 CA LEU A 19 -9.914 -6.492 -5.050 1.00 0.00 C ATOM 326 C LEU A 19 -9.065 -5.227 -5.044 1.00 0.00 C ATOM 327 O LEU A 19 -9.541 -4.176 -4.644 1.00 0.00 O ATOM 328 CB LEU A 19 -9.906 -7.172 -3.679 1.00 0.00 C ATOM 329 CG LEU A 19 -11.101 -8.081 -3.279 1.00 0.00 C ATOM 330 CD1 LEU A 19 -12.363 -7.260 -3.113 1.00 0.00 C ATOM 331 CD2 LEU A 19 -11.336 -9.210 -4.265 1.00 0.00 C ATOM 0 H LEU A 19 -8.911 -8.136 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.953 -6.225 -5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.000 -7.774 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.822 -6.390 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.839 -8.539 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.189 -7.914 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.211 -6.513 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.599 -6.761 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.183 -9.812 -3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.549 -8.794 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.445 -9.836 -4.320 1.00 0.00 H new ATOM 343 N LEU A 20 -7.816 -5.310 -5.531 1.00 0.00 N ATOM 344 CA LEU A 20 -6.986 -4.105 -5.685 1.00 0.00 C ATOM 345 C LEU A 20 -7.685 -3.184 -6.635 1.00 0.00 C ATOM 346 O LEU A 20 -7.867 -1.999 -6.362 1.00 0.00 O ATOM 347 CB LEU A 20 -5.540 -4.402 -6.160 1.00 0.00 C ATOM 348 CG LEU A 20 -4.484 -4.699 -5.075 1.00 0.00 C ATOM 349 CD1 LEU A 20 -4.685 -6.034 -4.435 1.00 0.00 C ATOM 350 CD2 LEU A 20 -3.090 -4.596 -5.636 1.00 0.00 C ATOM 0 H LEU A 20 -7.367 -6.179 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.870 -3.642 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.576 -5.255 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.194 -3.548 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.611 -3.942 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.916 -6.195 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.668 -6.068 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.617 -6.815 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.365 -4.810 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.970 -5.315 -6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.925 -3.588 -6.018 1.00 0.00 H new ATOM 362 N GLU A 21 -8.168 -3.774 -7.702 1.00 0.00 N ATOM 363 CA GLU A 21 -8.976 -3.101 -8.669 1.00 0.00 C ATOM 364 C GLU A 21 -10.287 -2.582 -8.063 1.00 0.00 C ATOM 365 O GLU A 21 -10.844 -1.600 -8.538 1.00 0.00 O ATOM 366 CB GLU A 21 -9.237 -4.017 -9.847 1.00 0.00 C ATOM 367 CG GLU A 21 -8.056 -4.144 -10.787 1.00 0.00 C ATOM 368 CD GLU A 21 -7.686 -2.812 -11.392 1.00 0.00 C ATOM 369 OE1 GLU A 21 -8.439 -2.304 -12.237 1.00 0.00 O ATOM 370 OE2 GLU A 21 -6.643 -2.224 -11.029 1.00 0.00 O ATOM 0 H GLU A 21 -8.002 -4.757 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.429 -2.225 -9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.504 -5.006 -9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.096 -3.643 -10.404 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.201 -4.549 -10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.296 -4.852 -11.581 1.00 0.00 H new ATOM 377 N SER A 22 -10.762 -3.222 -7.007 1.00 0.00 N ATOM 378 CA SER A 22 -11.974 -2.789 -6.343 1.00 0.00 C ATOM 379 C SER A 22 -11.757 -1.470 -5.548 1.00 0.00 C ATOM 380 O SER A 22 -12.516 -0.522 -5.728 1.00 0.00 O ATOM 381 CB SER A 22 -12.537 -3.901 -5.457 1.00 0.00 C ATOM 382 OG SER A 22 -12.678 -5.108 -6.209 1.00 0.00 O ATOM 0 H SER A 22 -10.324 -4.045 -6.593 1.00 0.00 H new ATOM 0 HA SER A 22 -12.715 -2.572 -7.113 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.875 -4.069 -4.607 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.504 -3.600 -5.054 1.00 0.00 H new ATOM 0 HG SER A 22 -11.869 -5.259 -6.741 1.00 0.00 H new ATOM 388 N TYR A 23 -10.700 -1.372 -4.707 1.00 0.00 N ATOM 389 CA TYR A 23 -10.494 -0.105 -3.962 1.00 0.00 C ATOM 390 C TYR A 23 -9.516 0.803 -4.712 1.00 0.00 C ATOM 391 O TYR A 23 -9.012 1.801 -4.190 1.00 0.00 O ATOM 392 CB TYR A 23 -10.075 -0.295 -2.441 1.00 0.00 C ATOM 393 CG TYR A 23 -8.578 -0.498 -2.083 1.00 0.00 C ATOM 394 CD1 TYR A 23 -7.610 -0.856 -3.021 1.00 0.00 C ATOM 395 CD2 TYR A 23 -8.153 -0.281 -0.771 1.00 0.00 C ATOM 396 CE1 TYR A 23 -6.280 -1.001 -2.662 1.00 0.00 C ATOM 397 CE2 TYR A 23 -6.824 -0.422 -0.398 1.00 0.00 C ATOM 398 CZ TYR A 23 -5.891 -0.787 -1.357 1.00 0.00 C ATOM 399 OH TYR A 23 -4.568 -0.949 -1.013 1.00 0.00 O ATOM 0 H TYR A 23 -10.014 -2.106 -4.532 1.00 0.00 H new ATOM 0 HA TYR A 23 -11.469 0.380 -3.918 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.427 0.579 -1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.623 -1.155 -2.056 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.903 -1.023 -4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.880 0.005 -0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.548 -1.282 -3.405 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.521 -0.250 0.624 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.001 -0.739 -1.785 1.00 0.00 H new ATOM 409 N MET A 24 -9.263 0.449 -5.945 1.00 0.00 N ATOM 410 CA MET A 24 -8.374 1.193 -6.810 1.00 0.00 C ATOM 411 C MET A 24 -8.838 2.654 -6.969 1.00 0.00 C ATOM 412 O MET A 24 -8.085 3.489 -7.401 1.00 0.00 O ATOM 413 CB MET A 24 -8.205 0.497 -8.150 1.00 0.00 C ATOM 414 CG MET A 24 -6.909 0.834 -8.876 1.00 0.00 C ATOM 415 SD MET A 24 -5.434 0.373 -7.941 1.00 0.00 S ATOM 416 CE MET A 24 -4.144 0.701 -9.145 1.00 0.00 C ATOM 0 H MET A 24 -9.672 -0.375 -6.386 1.00 0.00 H new ATOM 0 HA MET A 24 -7.392 1.223 -6.338 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.250 -0.581 -7.994 1.00 0.00 H new ATOM 0 HB3 MET A 24 -9.046 0.761 -8.791 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.896 0.324 -9.839 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.882 1.904 -9.082 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.209 0.916 -8.627 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.012 -0.172 -9.784 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.426 1.558 -9.756 1.00 0.00 H new ATOM 426 N ASP A 25 -10.111 2.922 -6.706 1.00 0.00 N ATOM 427 CA ASP A 25 -10.638 4.293 -6.640 1.00 0.00 C ATOM 428 C ASP A 25 -9.920 5.102 -5.612 1.00 0.00 C ATOM 429 O ASP A 25 -9.372 6.142 -5.907 1.00 0.00 O ATOM 430 CB ASP A 25 -12.102 4.313 -6.280 1.00 0.00 C ATOM 431 CG ASP A 25 -12.569 5.703 -5.830 1.00 0.00 C ATOM 432 OD1 ASP A 25 -12.609 6.628 -6.652 1.00 0.00 O ATOM 433 OD2 ASP A 25 -12.891 5.870 -4.637 1.00 0.00 O ATOM 0 H ASP A 25 -10.812 2.202 -6.532 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.490 4.717 -7.633 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.690 3.995 -7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.288 3.593 -5.483 1.00 0.00 H new ATOM 438 N CYS A 26 -9.899 4.614 -4.425 1.00 0.00 N ATOM 439 CA CYS A 26 -9.311 5.331 -3.367 1.00 0.00 C ATOM 440 C CYS A 26 -7.800 5.399 -3.492 1.00 0.00 C ATOM 441 O CYS A 26 -7.194 6.379 -3.083 1.00 0.00 O ATOM 442 CB CYS A 26 -9.831 4.852 -2.002 1.00 0.00 C ATOM 443 SG CYS A 26 -10.231 3.067 -1.874 1.00 0.00 S ATOM 0 H CYS A 26 -10.289 3.708 -4.166 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.631 6.370 -3.439 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -9.083 5.091 -1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.726 5.423 -1.756 1.00 0.00 H new ATOM 448 N VAL A 27 -7.195 4.375 -4.060 1.00 0.00 N ATOM 449 CA VAL A 27 -5.765 4.409 -4.293 1.00 0.00 C ATOM 450 C VAL A 27 -5.349 5.171 -5.590 1.00 0.00 C ATOM 451 O VAL A 27 -4.548 6.092 -5.527 1.00 0.00 O ATOM 452 CB VAL A 27 -5.150 2.993 -4.255 1.00 0.00 C ATOM 453 CG1 VAL A 27 -3.642 3.027 -4.498 1.00 0.00 C ATOM 454 CG2 VAL A 27 -5.450 2.360 -2.915 1.00 0.00 C ATOM 0 H VAL A 27 -7.662 3.521 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.353 4.988 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.594 2.400 -5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.245 2.012 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.441 3.463 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.163 3.630 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.019 1.360 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.019 2.969 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.529 2.295 -2.777 1.00 0.00 H new ATOM 464 N LEU A 28 -5.886 4.791 -6.754 1.00 0.00 N ATOM 465 CA LEU A 28 -5.463 5.428 -8.004 1.00 0.00 C ATOM 466 C LEU A 28 -6.528 6.411 -8.517 1.00 0.00 C ATOM 467 O LEU A 28 -6.211 7.463 -9.049 1.00 0.00 O ATOM 468 CB LEU A 28 -5.134 4.317 -9.045 1.00 0.00 C ATOM 469 CG LEU A 28 -4.343 4.685 -10.337 1.00 0.00 C ATOM 470 CD1 LEU A 28 -5.152 5.519 -11.316 1.00 0.00 C ATOM 471 CD2 LEU A 28 -3.037 5.385 -9.990 1.00 0.00 C ATOM 0 H LEU A 28 -6.595 4.065 -6.857 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.565 6.021 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.571 3.541 -8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.079 3.871 -9.356 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.122 3.743 -10.839 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.545 5.741 -12.193 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.039 4.964 -11.620 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.453 6.451 -10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.502 5.632 -10.907 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.250 6.299 -9.436 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.422 4.725 -9.378 1.00 0.00 H new ATOM 483 N GLY A 29 -7.777 6.071 -8.304 1.00 0.00 N ATOM 484 CA GLY A 29 -8.865 6.887 -8.798 1.00 0.00 C ATOM 485 C GLY A 29 -9.632 6.205 -9.915 1.00 0.00 C ATOM 486 O GLY A 29 -9.954 6.830 -10.922 1.00 0.00 O ATOM 0 H GLY A 29 -8.067 5.237 -7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.546 7.115 -7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.470 7.837 -9.158 1.00 0.00 H new ATOM 490 N LYS A 30 -9.904 4.910 -9.758 1.00 0.00 N ATOM 491 CA LYS A 30 -10.642 4.164 -10.776 1.00 0.00 C ATOM 492 C LYS A 30 -12.158 4.091 -10.506 1.00 0.00 C ATOM 493 O LYS A 30 -12.940 4.772 -11.161 1.00 0.00 O ATOM 494 CB LYS A 30 -10.093 2.740 -10.970 1.00 0.00 C ATOM 495 CG LYS A 30 -8.668 2.655 -11.495 1.00 0.00 C ATOM 496 CD LYS A 30 -8.373 1.235 -11.979 1.00 0.00 C ATOM 497 CE LYS A 30 -6.962 1.090 -12.539 1.00 0.00 C ATOM 498 NZ LYS A 30 -6.715 -0.281 -13.052 1.00 0.00 N ATOM 0 H LYS A 30 -9.628 4.360 -8.944 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.492 4.733 -11.693 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.142 2.217 -10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.748 2.207 -11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.530 3.363 -12.312 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.965 2.934 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.505 0.538 -11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.095 0.959 -12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.813 1.812 -13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.235 1.324 -11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.004 -0.752 -12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.601 -0.825 -13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.367 -0.228 -14.031 1.00 0.00 H new ATOM 512 N GLY A 31 -12.550 3.280 -9.537 1.00 0.00 N ATOM 513 CA GLY A 31 -13.976 3.005 -9.302 1.00 0.00 C ATOM 514 C GLY A 31 -14.604 3.886 -8.248 1.00 0.00 C ATOM 515 O GLY A 31 -14.652 5.103 -8.415 1.00 0.00 O ATOM 0 H GLY A 31 -11.914 2.800 -8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.519 3.132 -10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.091 1.962 -9.006 1.00 0.00 H new ATOM 519 N LYS A 32 -15.092 3.288 -7.149 1.00 0.00 N ATOM 520 CA LYS A 32 -15.682 4.086 -6.074 1.00 0.00 C ATOM 521 C LYS A 32 -15.594 3.435 -4.666 1.00 0.00 C ATOM 522 O LYS A 32 -16.247 2.417 -4.374 1.00 0.00 O ATOM 523 CB LYS A 32 -17.139 4.521 -6.394 1.00 0.00 C ATOM 524 CG LYS A 32 -18.112 3.384 -6.644 1.00 0.00 C ATOM 525 CD LYS A 32 -19.525 3.886 -6.876 1.00 0.00 C ATOM 526 CE LYS A 32 -20.500 2.728 -7.057 1.00 0.00 C ATOM 527 NZ LYS A 32 -20.518 1.830 -5.875 1.00 0.00 N ATOM 0 H LYS A 32 -15.089 2.281 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.059 4.979 -6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.512 5.122 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.124 5.165 -7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -17.784 2.810 -7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -18.104 2.706 -5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -19.839 4.500 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.546 4.524 -7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -21.502 3.121 -7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -20.224 2.156 -7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -21.381 1.250 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -19.684 1.210 -5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -20.502 2.400 -5.005 1.00 0.00 H new ATOM 541 N CYS A 33 -14.709 3.974 -3.860 1.00 0.00 N ATOM 542 CA CYS A 33 -14.668 3.734 -2.428 1.00 0.00 C ATOM 543 C CYS A 33 -15.446 4.915 -1.785 1.00 0.00 C ATOM 544 O CYS A 33 -15.866 5.836 -2.499 1.00 0.00 O ATOM 545 CB CYS A 33 -13.201 3.784 -1.918 1.00 0.00 C ATOM 546 SG CYS A 33 -11.998 2.816 -2.880 1.00 0.00 S ATOM 0 H CYS A 33 -13.978 4.607 -4.185 1.00 0.00 H new ATOM 0 HA CYS A 33 -15.090 2.760 -2.180 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.875 4.824 -1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.182 3.431 -0.887 1.00 0.00 H new ATOM 551 N THR A 34 -15.633 4.917 -0.488 1.00 0.00 N ATOM 552 CA THR A 34 -16.280 6.035 0.169 1.00 0.00 C ATOM 553 C THR A 34 -15.210 6.988 0.700 1.00 0.00 C ATOM 554 O THR A 34 -14.072 6.544 0.927 1.00 0.00 O ATOM 555 CB THR A 34 -17.149 5.540 1.331 1.00 0.00 C ATOM 556 OG1 THR A 34 -16.391 4.603 2.122 1.00 0.00 O ATOM 557 CG2 THR A 34 -18.440 4.909 0.822 1.00 0.00 C ATOM 0 H THR A 34 -15.349 4.161 0.135 1.00 0.00 H new ATOM 0 HA THR A 34 -16.917 6.552 -0.548 1.00 0.00 H new ATOM 0 HB THR A 34 -17.431 6.389 1.953 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.000 3.953 2.532 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.036 4.567 1.668 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.006 5.647 0.254 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.202 4.061 0.180 1.00 0.00 H new ATOM 565 N PRO A 35 -15.525 8.306 0.869 1.00 0.00 N ATOM 566 CA PRO A 35 -14.578 9.312 1.393 1.00 0.00 C ATOM 567 C PRO A 35 -13.846 8.862 2.672 1.00 0.00 C ATOM 568 O PRO A 35 -12.655 9.127 2.826 1.00 0.00 O ATOM 569 CB PRO A 35 -15.439 10.556 1.669 1.00 0.00 C ATOM 570 CG PRO A 35 -16.854 10.168 1.361 1.00 0.00 C ATOM 571 CD PRO A 35 -16.810 8.925 0.515 1.00 0.00 C ATOM 0 HA PRO A 35 -13.780 9.492 0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -15.341 10.874 2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.122 11.394 1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -17.410 9.986 2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.366 10.973 0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.647 8.262 0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.861 9.162 -0.548 1.00 0.00 H new ATOM 579 N GLU A 36 -14.559 8.146 3.556 1.00 0.00 N ATOM 580 CA GLU A 36 -13.981 7.600 4.796 1.00 0.00 C ATOM 581 C GLU A 36 -12.754 6.740 4.438 1.00 0.00 C ATOM 582 O GLU A 36 -11.639 6.884 5.005 1.00 0.00 O ATOM 583 CB GLU A 36 -15.029 6.707 5.479 1.00 0.00 C ATOM 584 CG GLU A 36 -14.648 6.214 6.860 1.00 0.00 C ATOM 585 CD GLU A 36 -14.646 7.324 7.870 1.00 0.00 C ATOM 586 OE1 GLU A 36 -15.707 7.608 8.443 1.00 0.00 O ATOM 587 OE2 GLU A 36 -13.590 7.942 8.114 1.00 0.00 O ATOM 0 H GLU A 36 -15.548 7.930 3.433 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.688 8.412 5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.964 7.262 5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.220 5.844 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.347 5.439 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.660 5.756 6.822 1.00 0.00 H new ATOM 594 N GLY A 37 -12.959 5.885 3.455 1.00 0.00 N ATOM 595 CA GLY A 37 -11.936 5.019 2.993 1.00 0.00 C ATOM 596 C GLY A 37 -10.882 5.760 2.218 1.00 0.00 C ATOM 597 O GLY A 37 -9.711 5.489 2.372 1.00 0.00 O ATOM 0 H GLY A 37 -13.848 5.785 2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.475 4.516 3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.373 4.245 2.363 1.00 0.00 H new ATOM 601 N LYS A 38 -11.304 6.719 1.414 1.00 0.00 N ATOM 602 CA LYS A 38 -10.384 7.495 0.562 1.00 0.00 C ATOM 603 C LYS A 38 -9.380 8.271 1.407 1.00 0.00 C ATOM 604 O LYS A 38 -8.253 8.522 0.978 1.00 0.00 O ATOM 605 CB LYS A 38 -11.147 8.449 -0.397 1.00 0.00 C ATOM 606 CG LYS A 38 -12.235 7.744 -1.201 1.00 0.00 C ATOM 607 CD LYS A 38 -12.830 8.578 -2.339 1.00 0.00 C ATOM 608 CE LYS A 38 -11.830 8.804 -3.470 1.00 0.00 C ATOM 609 NZ LYS A 38 -12.468 9.375 -4.677 1.00 0.00 N ATOM 0 H LYS A 38 -12.283 6.990 1.324 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.838 6.781 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.597 9.255 0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.436 8.909 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.822 6.826 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.038 7.453 -0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.714 8.075 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.158 9.541 -1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.042 9.474 -3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.354 7.857 -3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.751 9.511 -5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.203 8.725 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.900 10.291 -4.441 1.00 0.00 H new ATOM 623 N GLU A 39 -9.770 8.580 2.619 1.00 0.00 N ATOM 624 CA GLU A 39 -8.944 9.323 3.512 1.00 0.00 C ATOM 625 C GLU A 39 -7.935 8.400 4.140 1.00 0.00 C ATOM 626 O GLU A 39 -6.718 8.672 4.128 1.00 0.00 O ATOM 627 CB GLU A 39 -9.790 9.956 4.600 1.00 0.00 C ATOM 628 CG GLU A 39 -8.981 10.783 5.558 1.00 0.00 C ATOM 629 CD GLU A 39 -9.802 11.424 6.644 1.00 0.00 C ATOM 630 OE1 GLU A 39 -10.643 12.296 6.343 1.00 0.00 O ATOM 631 OE2 GLU A 39 -9.600 11.088 7.835 1.00 0.00 O ATOM 0 H GLU A 39 -10.676 8.317 3.007 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.433 10.108 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.554 10.583 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.310 9.173 5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.219 10.152 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.459 11.561 5.002 1.00 0.00 H new ATOM 638 N LEU A 40 -8.433 7.288 4.663 1.00 0.00 N ATOM 639 CA LEU A 40 -7.587 6.349 5.352 1.00 0.00 C ATOM 640 C LEU A 40 -6.570 5.743 4.393 1.00 0.00 C ATOM 641 O LEU A 40 -5.403 5.569 4.730 1.00 0.00 O ATOM 642 CB LEU A 40 -8.432 5.287 6.121 1.00 0.00 C ATOM 643 CG LEU A 40 -9.109 4.136 5.347 1.00 0.00 C ATOM 644 CD1 LEU A 40 -8.146 2.967 5.154 1.00 0.00 C ATOM 645 CD2 LEU A 40 -10.364 3.670 6.070 1.00 0.00 C ATOM 0 H LEU A 40 -9.417 7.023 4.619 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.015 6.877 6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.782 4.836 6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.215 5.822 6.658 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.392 4.513 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.647 2.169 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.275 3.302 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.827 2.594 6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.827 2.858 5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.100 3.317 7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.066 4.500 6.153 1.00 0.00 H new ATOM 657 N LYS A 41 -7.008 5.505 3.175 1.00 0.00 N ATOM 658 CA LYS A 41 -6.168 4.910 2.160 1.00 0.00 C ATOM 659 C LYS A 41 -5.172 5.882 1.601 1.00 0.00 C ATOM 660 O LYS A 41 -4.110 5.494 1.198 1.00 0.00 O ATOM 661 CB LYS A 41 -7.002 4.223 1.101 1.00 0.00 C ATOM 662 CG LYS A 41 -7.672 2.989 1.662 1.00 0.00 C ATOM 663 CD LYS A 41 -9.015 2.770 1.079 1.00 0.00 C ATOM 664 CE LYS A 41 -9.752 1.730 1.859 1.00 0.00 C ATOM 665 NZ LYS A 41 -11.141 1.608 1.425 1.00 0.00 N ATOM 0 H LYS A 41 -7.955 5.718 2.862 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.568 4.134 2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.757 4.912 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.370 3.947 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.047 2.118 1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.758 3.084 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.577 3.704 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.922 2.457 0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.251 0.769 1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.723 1.983 2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.682 1.077 2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.554 2.556 1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.178 1.105 0.516 1.00 0.00 H new ATOM 679 N ASP A 42 -5.504 7.160 1.603 1.00 0.00 N ATOM 680 CA ASP A 42 -4.525 8.166 1.198 1.00 0.00 C ATOM 681 C ASP A 42 -3.349 8.130 2.140 1.00 0.00 C ATOM 682 O ASP A 42 -2.202 8.142 1.726 1.00 0.00 O ATOM 683 CB ASP A 42 -5.119 9.580 1.194 1.00 0.00 C ATOM 684 CG ASP A 42 -4.043 10.663 1.074 1.00 0.00 C ATOM 685 OD1 ASP A 42 -3.599 10.978 -0.049 1.00 0.00 O ATOM 686 OD2 ASP A 42 -3.629 11.213 2.112 1.00 0.00 O ATOM 0 H ASP A 42 -6.418 7.525 1.872 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.212 7.929 0.181 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.820 9.675 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.687 9.736 2.111 1.00 0.00 H new ATOM 691 N HIS A 43 -3.650 8.015 3.406 1.00 0.00 N ATOM 692 CA HIS A 43 -2.632 8.049 4.431 1.00 0.00 C ATOM 693 C HIS A 43 -1.874 6.721 4.542 1.00 0.00 C ATOM 694 O HIS A 43 -0.641 6.696 4.514 1.00 0.00 O ATOM 695 CB HIS A 43 -3.239 8.443 5.779 1.00 0.00 C ATOM 696 CG HIS A 43 -3.867 9.807 5.796 1.00 0.00 C ATOM 697 ND1 HIS A 43 -5.106 10.050 6.320 1.00 0.00 N ATOM 698 CD2 HIS A 43 -3.410 11.002 5.361 1.00 0.00 C ATOM 699 CE1 HIS A 43 -5.391 11.322 6.210 1.00 0.00 C ATOM 700 NE2 HIS A 43 -4.384 11.930 5.630 1.00 0.00 N ATOM 0 H HIS A 43 -4.600 7.896 3.758 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.905 8.807 4.138 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.992 7.705 6.055 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.460 8.404 6.541 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -2.457 11.191 4.890 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.304 11.793 6.542 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -4.333 12.926 5.415 1.00 0.00 H new ATOM 709 N LEU A 44 -2.604 5.630 4.643 1.00 0.00 N ATOM 710 CA LEU A 44 -1.998 4.319 4.830 1.00 0.00 C ATOM 711 C LEU A 44 -1.313 3.852 3.542 1.00 0.00 C ATOM 712 O LEU A 44 -0.158 3.404 3.561 1.00 0.00 O ATOM 713 CB LEU A 44 -3.068 3.318 5.344 1.00 0.00 C ATOM 714 CG LEU A 44 -2.601 1.924 5.814 1.00 0.00 C ATOM 715 CD1 LEU A 44 -3.659 1.308 6.713 1.00 0.00 C ATOM 716 CD2 LEU A 44 -2.334 0.988 4.635 1.00 0.00 C ATOM 0 H LEU A 44 -3.623 5.621 4.599 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.217 4.378 5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.593 3.790 6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.797 3.173 4.547 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.668 2.054 6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.327 0.324 7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.817 1.948 7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.593 1.209 6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.007 0.017 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.248 0.865 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.556 1.414 4.001 1.00 0.00 H new ATOM 728 N GLN A 45 -1.995 3.981 2.426 1.00 0.00 N ATOM 729 CA GLN A 45 -1.419 3.587 1.165 1.00 0.00 C ATOM 730 C GLN A 45 -0.276 4.481 0.753 1.00 0.00 C ATOM 731 O GLN A 45 0.568 4.044 0.021 1.00 0.00 O ATOM 732 CB GLN A 45 -2.439 3.370 0.027 1.00 0.00 C ATOM 733 CG GLN A 45 -3.110 1.979 -0.011 1.00 0.00 C ATOM 734 CD GLN A 45 -3.816 1.557 1.267 1.00 0.00 C ATOM 735 OE1 GLN A 45 -4.304 2.375 2.031 1.00 0.00 O ATOM 736 NE2 GLN A 45 -3.940 0.261 1.466 1.00 0.00 N ATOM 0 H GLN A 45 -2.943 4.353 2.368 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.005 2.596 1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.218 4.127 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.935 3.537 -0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.834 1.966 -0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.350 1.235 -0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.521 -0.398 0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.455 -0.084 2.276 1.00 0.00 H new ATOM 745 N GLU A 46 -0.234 5.744 1.218 1.00 0.00 N ATOM 746 CA GLU A 46 0.952 6.562 0.953 1.00 0.00 C ATOM 747 C GLU A 46 2.123 6.000 1.723 1.00 0.00 C ATOM 748 O GLU A 46 3.216 5.940 1.211 1.00 0.00 O ATOM 749 CB GLU A 46 0.734 8.062 1.242 1.00 0.00 C ATOM 750 CG GLU A 46 1.921 8.998 0.899 1.00 0.00 C ATOM 751 CD GLU A 46 2.914 9.199 2.016 1.00 0.00 C ATOM 752 OE1 GLU A 46 3.883 8.426 2.138 1.00 0.00 O ATOM 753 OE2 GLU A 46 2.745 10.173 2.780 1.00 0.00 O ATOM 0 H GLU A 46 -0.973 6.199 1.754 1.00 0.00 H new ATOM 0 HA GLU A 46 1.165 6.512 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.140 8.396 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.499 8.178 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.446 8.593 0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.525 9.970 0.605 1.00 0.00 H new ATOM 760 N ALA A 47 1.872 5.515 2.933 1.00 0.00 N ATOM 761 CA ALA A 47 2.916 4.899 3.751 1.00 0.00 C ATOM 762 C ALA A 47 3.472 3.642 3.078 1.00 0.00 C ATOM 763 O ALA A 47 4.593 3.211 3.357 1.00 0.00 O ATOM 764 CB ALA A 47 2.401 4.595 5.140 1.00 0.00 C ATOM 0 H ALA A 47 0.952 5.535 3.373 1.00 0.00 H new ATOM 0 HA ALA A 47 3.735 5.612 3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.195 4.137 5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.079 5.520 5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.557 3.909 5.073 1.00 0.00 H new ATOM 770 N LEU A 48 2.665 3.074 2.217 1.00 0.00 N ATOM 771 CA LEU A 48 3.037 1.947 1.389 1.00 0.00 C ATOM 772 C LEU A 48 3.745 2.441 0.094 1.00 0.00 C ATOM 773 O LEU A 48 4.829 1.985 -0.254 1.00 0.00 O ATOM 774 CB LEU A 48 1.755 1.190 1.015 1.00 0.00 C ATOM 775 CG LEU A 48 1.912 -0.049 0.151 1.00 0.00 C ATOM 776 CD1 LEU A 48 2.671 -1.121 0.900 1.00 0.00 C ATOM 777 CD2 LEU A 48 0.549 -0.547 -0.313 1.00 0.00 C ATOM 0 H LEU A 48 1.706 3.388 2.066 1.00 0.00 H new ATOM 0 HA LEU A 48 3.724 1.297 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.253 0.898 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.092 1.883 0.497 1.00 0.00 H new ATOM 0 HG LEU A 48 2.491 0.208 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.775 -2.002 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.659 -0.747 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.126 -1.387 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.677 -1.435 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.063 -0.794 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.056 0.232 -0.895 1.00 0.00 H new ATOM 789 N GLU A 49 3.086 3.378 -0.576 1.00 0.00 N ATOM 790 CA GLU A 49 3.490 3.967 -1.858 1.00 0.00 C ATOM 791 C GLU A 49 4.805 4.736 -1.758 1.00 0.00 C ATOM 792 O GLU A 49 5.749 4.469 -2.476 1.00 0.00 O ATOM 793 CB GLU A 49 2.373 4.933 -2.303 1.00 0.00 C ATOM 794 CG GLU A 49 2.592 5.682 -3.603 1.00 0.00 C ATOM 795 CD GLU A 49 1.524 6.740 -3.827 1.00 0.00 C ATOM 796 OE1 GLU A 49 0.445 6.420 -4.338 1.00 0.00 O ATOM 797 OE2 GLU A 49 1.769 7.929 -3.511 1.00 0.00 O ATOM 0 H GLU A 49 2.212 3.771 -0.228 1.00 0.00 H new ATOM 0 HA GLU A 49 3.643 3.162 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.447 4.364 -2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.222 5.666 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.575 6.153 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.587 4.977 -4.435 1.00 0.00 H new ATOM 804 N THR A 50 4.821 5.691 -0.882 1.00 0.00 N ATOM 805 CA THR A 50 5.927 6.593 -0.707 1.00 0.00 C ATOM 806 C THR A 50 6.686 6.263 0.577 1.00 0.00 C ATOM 807 O THR A 50 7.914 6.085 0.557 1.00 0.00 O ATOM 808 CB THR A 50 5.407 8.033 -0.657 1.00 0.00 C ATOM 809 OG1 THR A 50 4.619 8.280 -1.829 1.00 0.00 O ATOM 810 CG2 THR A 50 6.547 9.027 -0.601 1.00 0.00 C ATOM 0 H THR A 50 4.044 5.874 -0.247 1.00 0.00 H new ATOM 0 HA THR A 50 6.612 6.485 -1.548 1.00 0.00 H new ATOM 0 HB THR A 50 4.805 8.156 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.279 9.199 -1.807 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.145 10.040 -0.566 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.146 8.844 0.291 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.172 8.915 -1.487 1.00 0.00 H new ATOM 818 N GLY A 51 5.980 6.226 1.691 1.00 0.00 N ATOM 819 CA GLY A 51 6.607 5.804 2.905 1.00 0.00 C ATOM 820 C GLY A 51 6.419 6.721 4.092 1.00 0.00 C ATOM 821 O GLY A 51 7.385 6.978 4.821 1.00 0.00 O ATOM 0 H GLY A 51 4.995 6.479 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.224 4.818 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.676 5.692 2.721 1.00 0.00 H new ATOM 825 N CYS A 52 5.219 7.252 4.281 1.00 0.00 N ATOM 826 CA CYS A 52 4.863 7.995 5.502 1.00 0.00 C ATOM 827 C CYS A 52 4.865 7.019 6.747 1.00 0.00 C ATOM 828 O CYS A 52 3.840 6.802 7.398 1.00 0.00 O ATOM 829 CB CYS A 52 3.457 8.602 5.319 1.00 0.00 C ATOM 830 SG CYS A 52 3.010 10.064 6.362 1.00 0.00 S ATOM 0 H CYS A 52 4.461 7.186 3.601 1.00 0.00 H new ATOM 0 HA CYS A 52 5.591 8.787 5.677 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.349 8.890 4.273 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.725 7.817 5.510 1.00 0.00 H new ATOM 835 N GLU A 53 6.018 6.427 7.042 1.00 0.00 N ATOM 836 CA GLU A 53 6.174 5.473 8.143 1.00 0.00 C ATOM 837 C GLU A 53 6.590 6.193 9.418 1.00 0.00 C ATOM 838 O GLU A 53 6.506 5.656 10.504 1.00 0.00 O ATOM 839 CB GLU A 53 7.230 4.436 7.780 1.00 0.00 C ATOM 840 CG GLU A 53 8.588 5.027 7.442 1.00 0.00 C ATOM 841 CD GLU A 53 9.616 3.984 7.139 1.00 0.00 C ATOM 842 OE1 GLU A 53 10.283 3.509 8.081 1.00 0.00 O ATOM 843 OE2 GLU A 53 9.785 3.630 5.947 1.00 0.00 O ATOM 0 H GLU A 53 6.879 6.595 6.522 1.00 0.00 H new ATOM 0 HA GLU A 53 5.217 4.979 8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.345 3.743 8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.876 3.855 6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.487 5.691 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.932 5.637 8.277 1.00 0.00 H new ATOM 850 N LYS A 54 7.038 7.418 9.257 1.00 0.00 N ATOM 851 CA LYS A 54 7.466 8.283 10.372 1.00 0.00 C ATOM 852 C LYS A 54 6.259 8.999 10.951 1.00 0.00 C ATOM 853 O LYS A 54 6.368 9.832 11.859 1.00 0.00 O ATOM 854 CB LYS A 54 8.410 9.354 9.828 1.00 0.00 C ATOM 855 CG LYS A 54 7.767 10.190 8.713 1.00 0.00 C ATOM 856 CD LYS A 54 8.613 11.367 8.317 1.00 0.00 C ATOM 857 CE LYS A 54 7.981 12.127 7.164 1.00 0.00 C ATOM 858 NZ LYS A 54 8.786 13.290 6.757 1.00 0.00 N ATOM 0 H LYS A 54 7.123 7.862 8.343 1.00 0.00 H new ATOM 0 HA LYS A 54 7.953 7.673 11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.716 10.012 10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.313 8.878 9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.598 9.558 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.791 10.543 9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.739 12.033 9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.607 11.025 8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.858 11.457 6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.985 12.460 7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.316 13.778 5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.882 13.944 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.729 12.971 6.455 1.00 0.00 H new ATOM 872 N CYS A 55 5.137 8.666 10.416 1.00 0.00 N ATOM 873 CA CYS A 55 3.922 9.362 10.653 1.00 0.00 C ATOM 874 C CYS A 55 3.144 8.788 11.864 1.00 0.00 C ATOM 875 O CYS A 55 3.757 8.435 12.881 1.00 0.00 O ATOM 876 CB CYS A 55 3.165 9.327 9.340 1.00 0.00 C ATOM 877 SG CYS A 55 4.202 10.010 7.985 1.00 0.00 S ATOM 0 H CYS A 55 5.037 7.875 9.780 1.00 0.00 H new ATOM 0 HA CYS A 55 4.093 10.397 10.948 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.878 8.302 9.106 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.244 9.904 9.428 1.00 0.00 H new ATOM 882 N THR A 56 1.830 8.686 11.763 1.00 0.00 N ATOM 883 CA THR A 56 0.992 8.307 12.893 1.00 0.00 C ATOM 884 C THR A 56 0.894 6.800 12.984 1.00 0.00 C ATOM 885 O THR A 56 1.251 6.121 12.018 1.00 0.00 O ATOM 886 CB THR A 56 -0.411 8.921 12.748 1.00 0.00 C ATOM 887 OG1 THR A 56 -0.922 8.614 11.445 1.00 0.00 O ATOM 888 CG2 THR A 56 -0.364 10.430 12.927 1.00 0.00 C ATOM 0 H THR A 56 1.314 8.862 10.901 1.00 0.00 H new ATOM 0 HA THR A 56 1.446 8.688 13.808 1.00 0.00 H new ATOM 0 HB THR A 56 -1.059 8.502 13.518 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.817 9.001 11.345 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.368 10.841 12.820 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.021 10.667 13.919 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.289 10.866 12.171 1.00 0.00 H new ATOM 896 N GLU A 57 0.385 6.280 14.116 1.00 0.00 N ATOM 897 CA GLU A 57 0.302 4.834 14.363 1.00 0.00 C ATOM 898 C GLU A 57 -0.392 4.096 13.217 1.00 0.00 C ATOM 899 O GLU A 57 0.138 3.114 12.692 1.00 0.00 O ATOM 900 CB GLU A 57 -0.443 4.535 15.656 1.00 0.00 C ATOM 901 CG GLU A 57 -0.480 3.053 15.966 1.00 0.00 C ATOM 902 CD GLU A 57 -1.391 2.677 17.089 1.00 0.00 C ATOM 903 OE1 GLU A 57 -2.470 3.264 17.205 1.00 0.00 O ATOM 904 OE2 GLU A 57 -1.080 1.720 17.826 1.00 0.00 O ATOM 0 H GLU A 57 0.022 6.850 14.880 1.00 0.00 H new ATOM 0 HA GLU A 57 1.330 4.480 14.442 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.035 5.065 16.480 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.462 4.914 15.582 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.788 2.515 15.070 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.530 2.720 16.207 1.00 0.00 H new ATOM 911 N ALA A 58 -1.560 4.587 12.837 1.00 0.00 N ATOM 912 CA ALA A 58 -2.363 3.981 11.775 1.00 0.00 C ATOM 913 C ALA A 58 -1.601 3.932 10.465 1.00 0.00 C ATOM 914 O ALA A 58 -1.728 2.988 9.708 1.00 0.00 O ATOM 915 CB ALA A 58 -3.676 4.730 11.588 1.00 0.00 C ATOM 0 H ALA A 58 -1.983 5.417 13.253 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.585 2.958 12.080 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.254 4.259 10.793 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.246 4.702 12.516 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.469 5.766 11.321 1.00 0.00 H new ATOM 921 N GLN A 59 -0.794 4.938 10.212 1.00 0.00 N ATOM 922 CA GLN A 59 -0.047 4.986 8.986 1.00 0.00 C ATOM 923 C GLN A 59 1.207 4.132 9.069 1.00 0.00 C ATOM 924 O GLN A 59 1.481 3.353 8.172 1.00 0.00 O ATOM 925 CB GLN A 59 0.291 6.413 8.593 1.00 0.00 C ATOM 926 CG GLN A 59 -0.932 7.309 8.491 1.00 0.00 C ATOM 927 CD GLN A 59 -0.628 8.673 7.912 1.00 0.00 C ATOM 928 OE1 GLN A 59 -1.261 9.664 8.262 1.00 0.00 O ATOM 929 NE2 GLN A 59 0.278 8.724 6.988 1.00 0.00 N ATOM 0 H GLN A 59 -0.642 5.728 10.839 1.00 0.00 H new ATOM 0 HA GLN A 59 -0.683 4.571 8.204 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.981 6.832 9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.810 6.406 7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.683 6.818 7.872 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.368 7.432 9.483 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.784 7.879 6.723 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.485 9.609 6.525 1.00 0.00 H new ATOM 938 N GLU A 60 1.954 4.264 10.163 1.00 0.00 N ATOM 939 CA GLU A 60 3.188 3.511 10.327 1.00 0.00 C ATOM 940 C GLU A 60 2.930 1.987 10.387 1.00 0.00 C ATOM 941 O GLU A 60 3.538 1.210 9.641 1.00 0.00 O ATOM 942 CB GLU A 60 4.020 3.987 11.541 1.00 0.00 C ATOM 943 CG GLU A 60 3.301 3.955 12.875 1.00 0.00 C ATOM 944 CD GLU A 60 4.192 4.302 14.033 1.00 0.00 C ATOM 945 OE1 GLU A 60 4.991 3.448 14.456 1.00 0.00 O ATOM 946 OE2 GLU A 60 4.094 5.424 14.572 1.00 0.00 O ATOM 0 H GLU A 60 1.726 4.882 10.942 1.00 0.00 H new ATOM 0 HA GLU A 60 3.785 3.711 9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.913 3.366 11.614 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.355 5.007 11.353 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.464 4.653 12.847 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.882 2.961 13.032 1.00 0.00 H new ATOM 953 N LYS A 61 1.995 1.585 11.240 1.00 0.00 N ATOM 954 CA LYS A 61 1.636 0.183 11.420 1.00 0.00 C ATOM 955 C LYS A 61 0.766 -0.300 10.280 1.00 0.00 C ATOM 956 O LYS A 61 0.776 -1.486 9.925 1.00 0.00 O ATOM 957 CB LYS A 61 0.965 -0.026 12.779 1.00 0.00 C ATOM 958 CG LYS A 61 1.948 0.041 13.944 1.00 0.00 C ATOM 959 CD LYS A 61 1.257 0.152 15.299 1.00 0.00 C ATOM 960 CE LYS A 61 0.238 -0.944 15.553 1.00 0.00 C ATOM 961 NZ LYS A 61 -0.350 -0.833 16.911 1.00 0.00 N ATOM 0 H LYS A 61 1.462 2.225 11.829 1.00 0.00 H new ATOM 0 HA LYS A 61 2.546 -0.417 11.406 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.193 0.731 12.918 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.466 -0.995 12.787 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.576 -0.850 13.934 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.608 0.898 13.807 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.011 0.125 16.085 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.761 1.120 15.366 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.554 -0.887 14.806 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.713 -1.918 15.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.216 -1.407 16.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.335 -1.176 17.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.581 0.161 17.109 1.00 0.00 H new ATOM 975 N GLY A 62 0.031 0.618 9.693 1.00 0.00 N ATOM 976 CA GLY A 62 -0.756 0.296 8.533 1.00 0.00 C ATOM 977 C GLY A 62 0.145 -0.053 7.376 1.00 0.00 C ATOM 978 O GLY A 62 -0.162 -0.956 6.582 1.00 0.00 O ATOM 0 H GLY A 62 -0.036 1.588 10.001 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.418 -0.541 8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.390 1.142 8.268 1.00 0.00 H new ATOM 982 N ALA A 63 1.269 0.653 7.290 1.00 0.00 N ATOM 983 CA ALA A 63 2.291 0.376 6.303 1.00 0.00 C ATOM 984 C ALA A 63 2.874 -0.991 6.552 1.00 0.00 C ATOM 985 O ALA A 63 3.114 -1.729 5.635 1.00 0.00 O ATOM 986 CB ALA A 63 3.384 1.415 6.348 1.00 0.00 C ATOM 0 H ALA A 63 1.491 1.434 7.908 1.00 0.00 H new ATOM 0 HA ALA A 63 1.834 0.407 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.138 1.182 5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.960 2.398 6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.845 1.416 7.336 1.00 0.00 H new ATOM 992 N GLU A 64 3.101 -1.309 7.811 1.00 0.00 N ATOM 993 CA GLU A 64 3.576 -2.638 8.206 1.00 0.00 C ATOM 994 C GLU A 64 2.695 -3.762 7.610 1.00 0.00 C ATOM 995 O GLU A 64 3.204 -4.667 6.951 1.00 0.00 O ATOM 996 CB GLU A 64 3.675 -2.750 9.735 1.00 0.00 C ATOM 997 CG GLU A 64 4.707 -1.811 10.370 1.00 0.00 C ATOM 998 CD GLU A 64 6.123 -2.129 9.942 1.00 0.00 C ATOM 999 OE1 GLU A 64 6.754 -3.013 10.549 1.00 0.00 O ATOM 1000 OE2 GLU A 64 6.624 -1.545 8.940 1.00 0.00 O ATOM 0 H GLU A 64 2.965 -0.665 8.590 1.00 0.00 H new ATOM 0 HA GLU A 64 4.577 -2.768 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.696 -2.541 10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.926 -3.778 9.997 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.472 -0.782 10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.635 -1.879 11.456 1.00 0.00 H new ATOM 1007 N THR A 65 1.400 -3.667 7.784 1.00 0.00 N ATOM 1008 CA THR A 65 0.491 -4.677 7.263 1.00 0.00 C ATOM 1009 C THR A 65 0.348 -4.610 5.704 1.00 0.00 C ATOM 1010 O THR A 65 0.348 -5.670 5.007 1.00 0.00 O ATOM 1011 CB THR A 65 -0.861 -4.564 7.988 1.00 0.00 C ATOM 1012 OG1 THR A 65 -0.607 -4.536 9.409 1.00 0.00 O ATOM 1013 CG2 THR A 65 -1.729 -5.757 7.695 1.00 0.00 C ATOM 0 H THR A 65 0.944 -2.902 8.282 1.00 0.00 H new ATOM 0 HA THR A 65 0.911 -5.662 7.464 1.00 0.00 H new ATOM 0 HB THR A 65 -1.370 -3.662 7.649 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.457 -4.462 9.892 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.679 -5.653 8.219 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.911 -5.820 6.622 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.226 -6.664 8.031 1.00 0.00 H new ATOM 1021 N SER A 66 0.256 -3.407 5.152 1.00 0.00 N ATOM 1022 CA SER A 66 0.179 -3.253 3.715 1.00 0.00 C ATOM 1023 C SER A 66 1.456 -3.749 2.991 1.00 0.00 C ATOM 1024 O SER A 66 1.369 -4.422 1.975 1.00 0.00 O ATOM 1025 CB SER A 66 -0.196 -1.826 3.336 1.00 0.00 C ATOM 1026 OG SER A 66 0.641 -0.898 3.979 1.00 0.00 O ATOM 0 H SER A 66 0.233 -2.533 5.677 1.00 0.00 H new ATOM 0 HA SER A 66 -0.623 -3.902 3.363 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.121 -1.701 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.234 -1.634 3.608 1.00 0.00 H new ATOM 0 HG SER A 66 0.323 -0.750 4.894 1.00 0.00 H new ATOM 1032 N ILE A 67 2.618 -3.445 3.533 1.00 0.00 N ATOM 1033 CA ILE A 67 3.878 -3.921 2.968 1.00 0.00 C ATOM 1034 C ILE A 67 3.936 -5.447 3.027 1.00 0.00 C ATOM 1035 O ILE A 67 4.391 -6.092 2.085 1.00 0.00 O ATOM 1036 CB ILE A 67 5.116 -3.272 3.693 1.00 0.00 C ATOM 1037 CG1 ILE A 67 5.202 -1.773 3.351 1.00 0.00 C ATOM 1038 CG2 ILE A 67 6.429 -3.974 3.335 1.00 0.00 C ATOM 1039 CD1 ILE A 67 6.225 -0.999 4.146 1.00 0.00 C ATOM 0 H ILE A 67 2.723 -2.868 4.368 1.00 0.00 H new ATOM 0 HA ILE A 67 3.923 -3.614 1.923 1.00 0.00 H new ATOM 0 HB ILE A 67 4.967 -3.392 4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.433 -1.670 2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.222 -1.322 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.254 -3.491 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.374 -5.021 3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.595 -3.909 2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.212 0.046 3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.987 -1.065 5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.216 -1.418 3.970 1.00 0.00 H new ATOM 1051 N ASP A 68 3.402 -6.007 4.106 1.00 0.00 N ATOM 1052 CA ASP A 68 3.396 -7.454 4.317 1.00 0.00 C ATOM 1053 C ASP A 68 2.729 -8.208 3.162 1.00 0.00 C ATOM 1054 O ASP A 68 3.396 -9.007 2.470 1.00 0.00 O ATOM 1055 CB ASP A 68 2.708 -7.796 5.652 1.00 0.00 C ATOM 1056 CG ASP A 68 2.522 -9.291 5.887 1.00 0.00 C ATOM 1057 OD1 ASP A 68 3.429 -9.940 6.443 1.00 0.00 O ATOM 1058 OD2 ASP A 68 1.439 -9.836 5.552 1.00 0.00 O ATOM 0 H ASP A 68 2.962 -5.476 4.858 1.00 0.00 H new ATOM 0 HA ASP A 68 4.435 -7.780 4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.297 -7.380 6.470 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.733 -7.310 5.682 1.00 0.00 H new ATOM 1063 N TYR A 69 1.458 -7.912 2.854 1.00 0.00 N ATOM 1064 CA TYR A 69 0.840 -8.726 1.802 1.00 0.00 C ATOM 1065 C TYR A 69 1.285 -8.257 0.410 1.00 0.00 C ATOM 1066 O TYR A 69 1.400 -9.074 -0.521 1.00 0.00 O ATOM 1067 CB TYR A 69 -0.711 -8.845 1.892 1.00 0.00 C ATOM 1068 CG TYR A 69 -1.247 -10.164 1.337 1.00 0.00 C ATOM 1069 CD1 TYR A 69 -1.224 -10.457 -0.021 1.00 0.00 C ATOM 1070 CD2 TYR A 69 -1.742 -11.130 2.195 1.00 0.00 C ATOM 1071 CE1 TYR A 69 -1.682 -11.672 -0.501 1.00 0.00 C ATOM 1072 CE2 TYR A 69 -2.196 -12.344 1.723 1.00 0.00 C ATOM 1073 CZ TYR A 69 -2.163 -12.611 0.376 1.00 0.00 C ATOM 1074 OH TYR A 69 -2.615 -13.827 -0.096 1.00 0.00 O ATOM 0 H TYR A 69 0.882 -7.183 3.275 1.00 0.00 H new ATOM 0 HA TYR A 69 1.207 -9.738 1.972 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.017 -8.746 2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.165 -8.018 1.346 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.842 -9.723 -0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.774 -10.929 3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.661 -11.880 -1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.577 -13.084 2.412 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.921 -14.376 0.656 1.00 0.00 H new ATOM 1084 N LEU A 70 1.598 -6.963 0.279 1.00 0.00 N ATOM 1085 CA LEU A 70 1.996 -6.419 -0.995 1.00 0.00 C ATOM 1086 C LEU A 70 3.266 -7.086 -1.467 1.00 0.00 C ATOM 1087 O LEU A 70 3.311 -7.630 -2.556 1.00 0.00 O ATOM 1088 CB LEU A 70 2.227 -4.909 -0.928 1.00 0.00 C ATOM 1089 CG LEU A 70 2.527 -4.257 -2.270 1.00 0.00 C ATOM 1090 CD1 LEU A 70 1.303 -4.242 -3.171 1.00 0.00 C ATOM 1091 CD2 LEU A 70 3.117 -2.877 -2.121 1.00 0.00 C ATOM 0 H LEU A 70 1.579 -6.288 1.043 1.00 0.00 H new ATOM 0 HA LEU A 70 1.182 -6.610 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.343 -4.438 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.056 -4.711 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 70 3.286 -4.873 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.556 -3.769 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.972 -5.265 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.502 -3.682 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.312 -2.456 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.415 -2.237 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.050 -2.939 -1.562 1.00 0.00 H new ATOM 1103 N ILE A 71 4.273 -7.099 -0.617 1.00 0.00 N ATOM 1104 CA ILE A 71 5.555 -7.648 -0.988 1.00 0.00 C ATOM 1105 C ILE A 71 5.482 -9.160 -1.192 1.00 0.00 C ATOM 1106 O ILE A 71 6.121 -9.690 -2.106 1.00 0.00 O ATOM 1107 CB ILE A 71 6.684 -7.282 0.027 1.00 0.00 C ATOM 1108 CG1 ILE A 71 6.806 -5.757 0.176 1.00 0.00 C ATOM 1109 CG2 ILE A 71 8.032 -7.868 -0.413 1.00 0.00 C ATOM 1110 CD1 ILE A 71 7.153 -5.027 -1.097 1.00 0.00 C ATOM 0 H ILE A 71 4.225 -6.735 0.335 1.00 0.00 H new ATOM 0 HA ILE A 71 5.817 -7.186 -1.940 1.00 0.00 H new ATOM 0 HB ILE A 71 6.414 -7.713 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.863 -5.366 0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.568 -5.538 0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.800 -7.598 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.955 -8.954 -0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.300 -7.469 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.218 -3.957 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.112 -5.385 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.380 -5.210 -1.844 1.00 0.00 H new ATOM 1122 N LYS A 72 4.681 -9.865 -0.395 1.00 0.00 N ATOM 1123 CA LYS A 72 4.648 -11.305 -0.575 1.00 0.00 C ATOM 1124 C LYS A 72 3.754 -11.762 -1.728 1.00 0.00 C ATOM 1125 O LYS A 72 3.788 -12.935 -2.092 1.00 0.00 O ATOM 1126 CB LYS A 72 4.370 -12.099 0.725 1.00 0.00 C ATOM 1127 CG LYS A 72 2.989 -11.947 1.348 1.00 0.00 C ATOM 1128 CD LYS A 72 2.958 -12.621 2.722 1.00 0.00 C ATOM 1129 CE LYS A 72 1.577 -12.616 3.367 1.00 0.00 C ATOM 1130 NZ LYS A 72 0.652 -13.583 2.731 1.00 0.00 N ATOM 0 H LYS A 72 4.081 -9.487 0.338 1.00 0.00 H new ATOM 0 HA LYS A 72 5.669 -11.553 -0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.533 -13.157 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.111 -11.802 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.740 -10.890 1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.236 -12.393 0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.300 -13.651 2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.662 -12.115 3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.673 -12.853 4.427 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.152 -11.614 3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.224 -13.095 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.103 -13.991 1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.427 -14.343 3.405 1.00 0.00 H new ATOM 1144 N ASN A 73 2.975 -10.867 -2.336 1.00 0.00 N ATOM 1145 CA ASN A 73 2.138 -11.329 -3.445 1.00 0.00 C ATOM 1146 C ASN A 73 2.049 -10.328 -4.612 1.00 0.00 C ATOM 1147 O ASN A 73 2.434 -10.650 -5.725 1.00 0.00 O ATOM 1148 CB ASN A 73 0.741 -11.721 -2.941 1.00 0.00 C ATOM 1149 CG ASN A 73 -0.064 -12.525 -3.955 1.00 0.00 C ATOM 1150 OD1 ASN A 73 0.055 -13.753 -4.017 1.00 0.00 O ATOM 1151 ND2 ASN A 73 -0.921 -11.879 -4.705 1.00 0.00 N ATOM 0 H ASN A 73 2.904 -9.877 -2.100 1.00 0.00 H new ATOM 0 HA ASN A 73 2.630 -12.212 -3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.843 -12.303 -2.025 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.189 -10.817 -2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.511 -12.390 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.998 -10.864 -4.633 1.00 0.00 H new ATOM 1158 N GLU A 74 1.618 -9.109 -4.354 1.00 0.00 N ATOM 1159 CA GLU A 74 1.405 -8.111 -5.427 1.00 0.00 C ATOM 1160 C GLU A 74 2.597 -7.142 -5.566 1.00 0.00 C ATOM 1161 O GLU A 74 2.421 -5.958 -5.887 1.00 0.00 O ATOM 1162 CB GLU A 74 0.120 -7.313 -5.159 1.00 0.00 C ATOM 1163 CG GLU A 74 -1.169 -8.117 -5.250 1.00 0.00 C ATOM 1164 CD GLU A 74 -1.356 -8.770 -6.597 1.00 0.00 C ATOM 1165 OE1 GLU A 74 -1.155 -8.108 -7.642 1.00 0.00 O ATOM 1166 OE2 GLU A 74 -1.671 -9.972 -6.643 1.00 0.00 O ATOM 0 H GLU A 74 1.404 -8.769 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 74 1.312 -8.660 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.185 -6.872 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.067 -6.489 -5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.169 -8.885 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.016 -7.461 -5.048 1.00 0.00 H new ATOM 1173 N LEU A 75 3.806 -7.669 -5.427 1.00 0.00 N ATOM 1174 CA LEU A 75 5.032 -6.850 -5.416 1.00 0.00 C ATOM 1175 C LEU A 75 5.312 -6.080 -6.725 1.00 0.00 C ATOM 1176 O LEU A 75 6.135 -5.159 -6.740 1.00 0.00 O ATOM 1177 CB LEU A 75 6.295 -7.628 -4.889 1.00 0.00 C ATOM 1178 CG LEU A 75 6.856 -8.864 -5.669 1.00 0.00 C ATOM 1179 CD1 LEU A 75 5.837 -9.975 -5.861 1.00 0.00 C ATOM 1180 CD2 LEU A 75 7.507 -8.473 -6.985 1.00 0.00 C ATOM 0 H LEU A 75 3.975 -8.669 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 75 4.818 -6.073 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.106 -6.905 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.066 -7.964 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 75 7.636 -9.274 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.295 -10.798 -6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.499 -10.331 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.985 -9.594 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.879 -9.366 -7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.773 -7.979 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.337 -7.793 -6.793 1.00 0.00 H new ATOM 1192 N GLU A 76 4.628 -6.439 -7.808 1.00 0.00 N ATOM 1193 CA GLU A 76 4.794 -5.722 -9.069 1.00 0.00 C ATOM 1194 C GLU A 76 4.309 -4.288 -8.913 1.00 0.00 C ATOM 1195 O GLU A 76 4.948 -3.348 -9.370 1.00 0.00 O ATOM 1196 CB GLU A 76 4.035 -6.399 -10.207 1.00 0.00 C ATOM 1197 CG GLU A 76 4.515 -7.795 -10.554 1.00 0.00 C ATOM 1198 CD GLU A 76 5.975 -7.839 -10.936 1.00 0.00 C ATOM 1199 OE1 GLU A 76 6.425 -6.999 -11.742 1.00 0.00 O ATOM 1200 OE2 GLU A 76 6.685 -8.746 -10.462 1.00 0.00 O ATOM 0 H GLU A 76 3.962 -7.211 -7.839 1.00 0.00 H new ATOM 0 HA GLU A 76 5.855 -5.731 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.979 -6.450 -9.940 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.110 -5.773 -11.097 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.348 -8.453 -9.701 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.918 -8.184 -11.378 1.00 0.00 H new ATOM 1207 N ILE A 77 3.213 -4.126 -8.197 1.00 0.00 N ATOM 1208 CA ILE A 77 2.644 -2.816 -7.969 1.00 0.00 C ATOM 1209 C ILE A 77 3.522 -2.016 -7.012 1.00 0.00 C ATOM 1210 O ILE A 77 3.568 -0.804 -7.075 1.00 0.00 O ATOM 1211 CB ILE A 77 1.160 -2.897 -7.499 1.00 0.00 C ATOM 1212 CG1 ILE A 77 0.342 -3.561 -8.614 1.00 0.00 C ATOM 1213 CG2 ILE A 77 0.590 -1.509 -7.165 1.00 0.00 C ATOM 1214 CD1 ILE A 77 -1.134 -3.684 -8.335 1.00 0.00 C ATOM 0 H ILE A 77 2.698 -4.891 -7.762 1.00 0.00 H new ATOM 0 HA ILE A 77 2.623 -2.282 -8.919 1.00 0.00 H new ATOM 0 HB ILE A 77 1.106 -3.486 -6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.476 -2.989 -9.532 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.746 -4.557 -8.797 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.446 -1.609 -6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.177 -1.057 -6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.634 -0.875 -8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.625 -4.165 -9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.286 -4.284 -7.438 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.560 -2.692 -8.185 1.00 0.00 H new ATOM 1226 N TRP A 78 4.271 -2.714 -6.177 1.00 0.00 N ATOM 1227 CA TRP A 78 5.235 -2.066 -5.301 1.00 0.00 C ATOM 1228 C TRP A 78 6.297 -1.363 -6.145 1.00 0.00 C ATOM 1229 O TRP A 78 6.671 -0.220 -5.866 1.00 0.00 O ATOM 1230 CB TRP A 78 5.885 -3.074 -4.356 1.00 0.00 C ATOM 1231 CG TRP A 78 6.998 -2.495 -3.555 1.00 0.00 C ATOM 1232 CD1 TRP A 78 6.898 -1.584 -2.544 1.00 0.00 C ATOM 1233 CD2 TRP A 78 8.389 -2.795 -3.697 1.00 0.00 C ATOM 1234 NE1 TRP A 78 8.143 -1.290 -2.060 1.00 0.00 N ATOM 1235 CE2 TRP A 78 9.077 -2.024 -2.748 1.00 0.00 C ATOM 1236 CE3 TRP A 78 9.118 -3.643 -4.539 1.00 0.00 C ATOM 1237 CZ2 TRP A 78 10.458 -2.072 -2.618 1.00 0.00 C ATOM 1238 CZ3 TRP A 78 10.489 -3.690 -4.406 1.00 0.00 C ATOM 1239 CH2 TRP A 78 11.146 -2.910 -3.452 1.00 0.00 C ATOM 0 H TRP A 78 4.231 -3.729 -6.086 1.00 0.00 H new ATOM 0 HA TRP A 78 4.712 -1.330 -4.690 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.127 -3.469 -3.680 1.00 0.00 H new ATOM 0 HB3 TRP A 78 6.264 -3.915 -4.937 1.00 0.00 H new ATOM 0 HD1 TRP A 78 5.974 -1.159 -2.180 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.345 -0.631 -1.308 1.00 0.00 H new ATOM 0 HE3 TRP A 78 8.616 -4.249 -5.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 10.972 -1.469 -1.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 11.064 -4.340 -5.049 1.00 0.00 H new ATOM 0 HH2 TRP A 78 12.221 -2.970 -3.371 1.00 0.00 H new ATOM 1250 N LYS A 79 6.742 -2.044 -7.203 1.00 0.00 N ATOM 1251 CA LYS A 79 7.710 -1.490 -8.160 1.00 0.00 C ATOM 1252 C LYS A 79 7.154 -0.204 -8.748 1.00 0.00 C ATOM 1253 O LYS A 79 7.841 0.821 -8.847 1.00 0.00 O ATOM 1254 CB LYS A 79 7.927 -2.477 -9.306 1.00 0.00 C ATOM 1255 CG LYS A 79 8.505 -3.831 -8.901 1.00 0.00 C ATOM 1256 CD LYS A 79 8.528 -4.769 -10.097 1.00 0.00 C ATOM 1257 CE LYS A 79 9.129 -6.133 -9.772 1.00 0.00 C ATOM 1258 NZ LYS A 79 10.574 -6.078 -9.470 1.00 0.00 N ATOM 0 H LYS A 79 6.444 -2.994 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 79 8.651 -1.302 -7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.973 -2.643 -9.806 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.594 -2.019 -10.036 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.515 -3.702 -8.511 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.907 -4.265 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.511 -4.904 -10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.100 -4.308 -10.902 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.603 -6.560 -8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.966 -6.804 -10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.928 -7.039 -9.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.082 -5.667 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.730 -5.489 -8.627 1.00 0.00 H new ATOM 1272 N GLU A 80 5.897 -0.275 -9.093 1.00 0.00 N ATOM 1273 CA GLU A 80 5.159 0.815 -9.694 1.00 0.00 C ATOM 1274 C GLU A 80 4.994 1.985 -8.710 1.00 0.00 C ATOM 1275 O GLU A 80 5.085 3.151 -9.097 1.00 0.00 O ATOM 1276 CB GLU A 80 3.810 0.270 -10.149 1.00 0.00 C ATOM 1277 CG GLU A 80 3.956 -0.923 -11.094 1.00 0.00 C ATOM 1278 CD GLU A 80 4.337 -0.548 -12.502 1.00 0.00 C ATOM 1279 OE1 GLU A 80 5.261 0.248 -12.700 1.00 0.00 O ATOM 1280 OE2 GLU A 80 3.679 -1.036 -13.449 1.00 0.00 O ATOM 0 H GLU A 80 5.336 -1.117 -8.962 1.00 0.00 H new ATOM 0 HA GLU A 80 5.705 1.211 -10.550 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.228 -0.029 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.251 1.061 -10.649 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.710 -1.600 -10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.015 -1.472 -11.118 1.00 0.00 H new ATOM 1287 N LEU A 81 4.777 1.674 -7.431 1.00 0.00 N ATOM 1288 CA LEU A 81 4.651 2.713 -6.407 1.00 0.00 C ATOM 1289 C LEU A 81 6.006 3.329 -6.134 1.00 0.00 C ATOM 1290 O LEU A 81 6.106 4.520 -5.844 1.00 0.00 O ATOM 1291 CB LEU A 81 4.033 2.196 -5.093 1.00 0.00 C ATOM 1292 CG LEU A 81 2.688 1.461 -5.206 1.00 0.00 C ATOM 1293 CD1 LEU A 81 2.243 0.940 -3.849 1.00 0.00 C ATOM 1294 CD2 LEU A 81 1.617 2.370 -5.800 1.00 0.00 C ATOM 0 H LEU A 81 4.685 0.720 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 81 3.967 3.465 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.750 1.524 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.902 3.045 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 81 2.827 0.612 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.289 0.423 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.991 0.247 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.130 1.775 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.675 1.826 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.485 3.243 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.924 2.692 -6.795 1.00 0.00 H new ATOM 1306 N THR A 82 7.057 2.523 -6.277 1.00 0.00 N ATOM 1307 CA THR A 82 8.405 3.018 -6.118 1.00 0.00 C ATOM 1308 C THR A 82 8.679 4.041 -7.219 1.00 0.00 C ATOM 1309 O THR A 82 9.217 5.107 -6.966 1.00 0.00 O ATOM 1310 CB THR A 82 9.458 1.884 -6.183 1.00 0.00 C ATOM 1311 OG1 THR A 82 9.124 0.837 -5.244 1.00 0.00 O ATOM 1312 CG2 THR A 82 10.851 2.419 -5.850 1.00 0.00 C ATOM 0 H THR A 82 6.992 1.530 -6.502 1.00 0.00 H new ATOM 0 HA THR A 82 8.488 3.476 -5.132 1.00 0.00 H new ATOM 0 HB THR A 82 9.458 1.485 -7.197 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.329 0.358 -5.558 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.575 1.606 -5.902 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.124 3.194 -6.566 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.849 2.839 -4.844 1.00 0.00 H new ATOM 1320 N ALA A 83 8.211 3.734 -8.423 1.00 0.00 N ATOM 1321 CA ALA A 83 8.351 4.623 -9.562 1.00 0.00 C ATOM 1322 C ALA A 83 7.510 5.879 -9.371 1.00 0.00 C ATOM 1323 O ALA A 83 7.814 6.932 -9.924 1.00 0.00 O ATOM 1324 CB ALA A 83 7.961 3.906 -10.846 1.00 0.00 C ATOM 0 H ALA A 83 7.725 2.862 -8.633 1.00 0.00 H new ATOM 0 HA ALA A 83 9.396 4.923 -9.638 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.071 4.586 -11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 83 8.608 3.040 -10.990 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.924 3.577 -10.778 1.00 0.00 H new ATOM 1330 N HIS A 84 6.460 5.753 -8.583 1.00 0.00 N ATOM 1331 CA HIS A 84 5.580 6.862 -8.281 1.00 0.00 C ATOM 1332 C HIS A 84 6.296 7.882 -7.391 1.00 0.00 C ATOM 1333 O HIS A 84 6.148 9.076 -7.597 1.00 0.00 O ATOM 1334 CB HIS A 84 4.265 6.355 -7.620 1.00 0.00 C ATOM 1335 CG HIS A 84 3.227 7.415 -7.274 1.00 0.00 C ATOM 1336 ND1 HIS A 84 1.973 7.455 -7.839 1.00 0.00 N ATOM 1337 CD2 HIS A 84 3.242 8.412 -6.355 1.00 0.00 C ATOM 1338 CE1 HIS A 84 1.270 8.423 -7.282 1.00 0.00 C ATOM 1339 NE2 HIS A 84 2.014 9.017 -6.378 1.00 0.00 N ATOM 0 H HIS A 84 6.194 4.877 -8.134 1.00 0.00 H new ATOM 0 HA HIS A 84 5.310 7.360 -9.213 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.803 5.631 -8.291 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.526 5.822 -6.706 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.073 8.680 -5.719 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.251 8.683 -7.529 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.725 9.799 -5.790 1.00 0.00 H new ATOM 1348 N PHE A 85 7.062 7.430 -6.413 1.00 0.00 N ATOM 1349 CA PHE A 85 7.710 8.395 -5.547 1.00 0.00 C ATOM 1350 C PHE A 85 9.117 8.741 -6.033 1.00 0.00 C ATOM 1351 O PHE A 85 9.454 9.927 -6.195 1.00 0.00 O ATOM 1352 CB PHE A 85 7.678 8.004 -4.035 1.00 0.00 C ATOM 1353 CG PHE A 85 8.643 6.929 -3.553 1.00 0.00 C ATOM 1354 CD1 PHE A 85 8.329 5.592 -3.635 1.00 0.00 C ATOM 1355 CD2 PHE A 85 9.860 7.287 -2.986 1.00 0.00 C ATOM 1356 CE1 PHE A 85 9.209 4.625 -3.169 1.00 0.00 C ATOM 1357 CE2 PHE A 85 10.739 6.330 -2.519 1.00 0.00 C ATOM 1358 CZ PHE A 85 10.413 4.998 -2.612 1.00 0.00 C ATOM 0 H PHE A 85 7.245 6.448 -6.205 1.00 0.00 H new ATOM 0 HA PHE A 85 7.113 9.304 -5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.866 8.906 -3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.666 7.676 -3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.386 5.291 -4.067 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.123 8.332 -2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.950 3.579 -3.243 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.681 6.627 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.098 4.246 -2.250 1.00 0.00 H new ATOM 1368 N ASP A 86 9.910 7.723 -6.336 1.00 0.00 N ATOM 1369 CA ASP A 86 11.297 7.909 -6.738 1.00 0.00 C ATOM 1370 C ASP A 86 11.922 6.585 -7.179 1.00 0.00 C ATOM 1371 O ASP A 86 12.369 5.788 -6.353 1.00 0.00 O ATOM 1372 CB ASP A 86 12.114 8.540 -5.598 1.00 0.00 C ATOM 1373 CG ASP A 86 13.575 8.680 -5.904 1.00 0.00 C ATOM 1374 OD1 ASP A 86 13.942 8.925 -7.079 1.00 0.00 O ATOM 1375 OD2 ASP A 86 14.386 8.539 -4.977 1.00 0.00 O ATOM 0 H ASP A 86 9.611 6.748 -6.310 1.00 0.00 H new ATOM 0 HA ASP A 86 11.312 8.590 -7.589 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.704 9.524 -5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.997 7.932 -4.701 1.00 0.00 H new ATOM 1380 N PRO A 87 11.927 6.311 -8.495 1.00 0.00 N ATOM 1381 CA PRO A 87 12.480 5.069 -9.032 1.00 0.00 C ATOM 1382 C PRO A 87 14.007 5.044 -9.042 1.00 0.00 C ATOM 1383 O PRO A 87 14.612 4.001 -9.300 1.00 0.00 O ATOM 1384 CB PRO A 87 11.951 5.017 -10.467 1.00 0.00 C ATOM 1385 CG PRO A 87 11.672 6.437 -10.836 1.00 0.00 C ATOM 1386 CD PRO A 87 11.364 7.175 -9.557 1.00 0.00 C ATOM 0 HA PRO A 87 12.186 4.218 -8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 87 12.684 4.572 -11.140 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.049 4.409 -10.532 1.00 0.00 H new ATOM 0 HG2 PRO A 87 12.531 6.880 -11.339 1.00 0.00 H new ATOM 0 HG3 PRO A 87 10.832 6.497 -11.528 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.820 8.165 -9.549 1.00 0.00 H new ATOM 0 HD3 PRO A 87 10.291 7.317 -9.428 1.00 0.00 H new ATOM 1394 N ASP A 88 14.635 6.173 -8.769 1.00 0.00 N ATOM 1395 CA ASP A 88 16.089 6.230 -8.819 1.00 0.00 C ATOM 1396 C ASP A 88 16.675 5.995 -7.444 1.00 0.00 C ATOM 1397 O ASP A 88 17.815 5.555 -7.306 1.00 0.00 O ATOM 1398 CB ASP A 88 16.567 7.573 -9.372 1.00 0.00 C ATOM 1399 CG ASP A 88 18.066 7.613 -9.607 1.00 0.00 C ATOM 1400 OD1 ASP A 88 18.532 7.032 -10.610 1.00 0.00 O ATOM 1401 OD2 ASP A 88 18.793 8.258 -8.829 1.00 0.00 O ATOM 0 H ASP A 88 14.175 7.047 -8.515 1.00 0.00 H new ATOM 0 HA ASP A 88 16.433 5.442 -9.489 1.00 0.00 H new ATOM 0 HB2 ASP A 88 16.051 7.779 -10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 88 16.292 8.366 -8.676 1.00 0.00 H new ATOM 1406 N GLY A 89 15.865 6.209 -6.440 1.00 0.00 N ATOM 1407 CA GLY A 89 16.293 6.057 -5.079 1.00 0.00 C ATOM 1408 C GLY A 89 16.455 4.613 -4.669 1.00 0.00 C ATOM 1409 O GLY A 89 15.639 3.749 -5.027 1.00 0.00 O ATOM 0 H GLY A 89 14.891 6.493 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.241 6.576 -4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.569 6.537 -4.421 1.00 0.00 H new ATOM 1413 N LYS A 90 17.498 4.339 -3.926 1.00 0.00 N ATOM 1414 CA LYS A 90 17.811 2.997 -3.446 1.00 0.00 C ATOM 1415 C LYS A 90 16.923 2.600 -2.282 1.00 0.00 C ATOM 1416 O LYS A 90 16.972 1.465 -1.817 1.00 0.00 O ATOM 1417 CB LYS A 90 19.246 2.913 -2.971 1.00 0.00 C ATOM 1418 CG LYS A 90 19.549 3.873 -1.836 1.00 0.00 C ATOM 1419 CD LYS A 90 20.784 3.457 -1.116 1.00 0.00 C ATOM 1420 CE LYS A 90 21.133 4.428 -0.008 1.00 0.00 C ATOM 1421 NZ LYS A 90 22.333 4.003 0.726 1.00 0.00 N ATOM 0 H LYS A 90 18.170 5.046 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 90 17.646 2.323 -4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.456 1.894 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.913 3.124 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 90 19.673 4.882 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.709 3.902 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 90 20.644 2.460 -0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 90 21.613 3.393 -1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 90 21.296 5.419 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 90 20.294 4.510 0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 22.542 4.691 1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 22.168 3.068 1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 23.139 3.949 0.071 1.00 0.00 H new ATOM 1435 N TRP A 91 16.082 3.524 -1.828 1.00 0.00 N ATOM 1436 CA TRP A 91 15.216 3.308 -0.665 1.00 0.00 C ATOM 1437 C TRP A 91 14.161 2.234 -0.894 1.00 0.00 C ATOM 1438 O TRP A 91 13.406 1.869 0.001 1.00 0.00 O ATOM 1439 CB TRP A 91 14.633 4.619 -0.150 1.00 0.00 C ATOM 1440 CG TRP A 91 15.702 5.532 0.377 1.00 0.00 C ATOM 1441 CD1 TRP A 91 16.210 5.539 1.638 1.00 0.00 C ATOM 1442 CD2 TRP A 91 16.413 6.549 -0.346 1.00 0.00 C ATOM 1443 NE1 TRP A 91 17.186 6.489 1.747 1.00 0.00 N ATOM 1444 CE2 TRP A 91 17.334 7.125 0.547 1.00 0.00 C ATOM 1445 CE3 TRP A 91 16.361 7.025 -1.656 1.00 0.00 C ATOM 1446 CZ2 TRP A 91 18.196 8.154 0.170 1.00 0.00 C ATOM 1447 CZ3 TRP A 91 17.215 8.045 -2.030 1.00 0.00 C ATOM 1448 CH2 TRP A 91 18.122 8.598 -1.120 1.00 0.00 C ATOM 0 H TRP A 91 15.979 4.445 -2.253 1.00 0.00 H new ATOM 0 HA TRP A 91 15.850 2.913 0.128 1.00 0.00 H new ATOM 0 HB2 TRP A 91 14.092 5.118 -0.954 1.00 0.00 H new ATOM 0 HB3 TRP A 91 13.910 4.411 0.639 1.00 0.00 H new ATOM 0 HD1 TRP A 91 15.889 4.888 2.438 1.00 0.00 H new ATOM 0 HE1 TRP A 91 17.720 6.692 2.592 1.00 0.00 H new ATOM 0 HE3 TRP A 91 15.665 6.603 -2.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 18.896 8.584 0.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 17.182 8.421 -3.042 1.00 0.00 H new ATOM 0 HH2 TRP A 91 18.778 9.393 -1.444 1.00 0.00 H new ATOM 1459 N ARG A 92 14.188 1.678 -2.070 1.00 0.00 N ATOM 1460 CA ARG A 92 13.363 0.555 -2.414 1.00 0.00 C ATOM 1461 C ARG A 92 13.857 -0.642 -1.567 1.00 0.00 C ATOM 1462 O ARG A 92 13.082 -1.460 -1.107 1.00 0.00 O ATOM 1463 CB ARG A 92 13.507 0.265 -3.924 1.00 0.00 C ATOM 1464 CG ARG A 92 14.853 -0.334 -4.328 1.00 0.00 C ATOM 1465 CD ARG A 92 15.108 -0.237 -5.805 1.00 0.00 C ATOM 1466 NE ARG A 92 15.471 1.136 -6.205 1.00 0.00 N ATOM 1467 CZ ARG A 92 16.135 1.440 -7.329 1.00 0.00 C ATOM 1468 NH1 ARG A 92 16.334 0.518 -8.259 1.00 0.00 N ATOM 1469 NH2 ARG A 92 16.552 2.673 -7.530 1.00 0.00 N ATOM 0 H ARG A 92 14.792 1.996 -2.828 1.00 0.00 H new ATOM 0 HA ARG A 92 12.309 0.746 -2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 92 12.714 -0.418 -4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.356 1.193 -4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 92 15.651 0.179 -3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 92 14.886 -1.381 -4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 92 15.910 -0.921 -6.082 1.00 0.00 H new ATOM 0 HD3 ARG A 92 14.218 -0.552 -6.350 1.00 0.00 H new ATOM 0 HE ARG A 92 15.200 1.901 -5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 92 15.981 -0.429 -8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 92 16.840 0.755 -9.112 1.00 0.00 H new ATOM 0 HH21 ARG A 92 16.369 3.393 -6.831 1.00 0.00 H new ATOM 0 HH22 ARG A 92 17.058 2.908 -8.384 1.00 0.00 H new ATOM 1483 N LYS A 93 15.165 -0.645 -1.286 1.00 0.00 N ATOM 1484 CA LYS A 93 15.785 -1.695 -0.527 1.00 0.00 C ATOM 1485 C LYS A 93 15.465 -1.509 0.949 1.00 0.00 C ATOM 1486 O LYS A 93 15.455 -2.454 1.713 1.00 0.00 O ATOM 1487 CB LYS A 93 17.288 -1.733 -0.778 1.00 0.00 C ATOM 1488 CG LYS A 93 17.946 -2.991 -0.264 1.00 0.00 C ATOM 1489 CD LYS A 93 19.402 -3.053 -0.644 1.00 0.00 C ATOM 1490 CE LYS A 93 19.981 -4.419 -0.336 1.00 0.00 C ATOM 1491 NZ LYS A 93 19.312 -5.496 -1.109 1.00 0.00 N ATOM 0 H LYS A 93 15.808 0.088 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 93 15.385 -2.657 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.473 -1.645 -1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.751 -0.868 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.851 -3.034 0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.428 -3.862 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 93 19.515 -2.836 -1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.957 -2.287 -0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 93 21.047 -4.420 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.881 -4.623 0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.934 -6.328 -1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.420 -5.756 -0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.113 -5.159 -2.073 1.00 0.00 H new ATOM 1505 N LYS A 94 15.184 -0.275 1.332 1.00 0.00 N ATOM 1506 CA LYS A 94 14.742 0.033 2.671 1.00 0.00 C ATOM 1507 C LYS A 94 13.398 -0.660 2.901 1.00 0.00 C ATOM 1508 O LYS A 94 13.145 -1.240 3.951 1.00 0.00 O ATOM 1509 CB LYS A 94 14.548 1.529 2.796 1.00 0.00 C ATOM 1510 CG LYS A 94 14.064 1.994 4.142 1.00 0.00 C ATOM 1511 CD LYS A 94 13.346 3.302 3.996 1.00 0.00 C ATOM 1512 CE LYS A 94 12.961 3.870 5.340 1.00 0.00 C ATOM 1513 NZ LYS A 94 11.978 4.955 5.204 1.00 0.00 N ATOM 0 H LYS A 94 15.258 0.537 0.720 1.00 0.00 H new ATOM 0 HA LYS A 94 15.478 -0.305 3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.494 2.023 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.835 1.853 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.398 1.249 4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.907 2.105 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.983 4.012 3.468 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.452 3.163 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.547 3.079 5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.851 4.245 5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.044 5.588 6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.173 5.493 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.021 4.552 5.154 1.00 0.00 H new ATOM 1527 N TYR A 95 12.536 -0.607 1.894 1.00 0.00 N ATOM 1528 CA TYR A 95 11.241 -1.259 1.996 1.00 0.00 C ATOM 1529 C TYR A 95 11.372 -2.771 1.879 1.00 0.00 C ATOM 1530 O TYR A 95 10.574 -3.510 2.445 1.00 0.00 O ATOM 1531 CB TYR A 95 10.223 -0.662 1.021 1.00 0.00 C ATOM 1532 CG TYR A 95 9.992 0.800 1.311 1.00 0.00 C ATOM 1533 CD1 TYR A 95 9.386 1.189 2.492 1.00 0.00 C ATOM 1534 CD2 TYR A 95 10.423 1.785 0.441 1.00 0.00 C ATOM 1535 CE1 TYR A 95 9.223 2.515 2.805 1.00 0.00 C ATOM 1536 CE2 TYR A 95 10.253 3.120 0.742 1.00 0.00 C ATOM 1537 CZ TYR A 95 9.656 3.474 1.931 1.00 0.00 C ATOM 1538 OH TYR A 95 9.509 4.791 2.254 1.00 0.00 O ATOM 0 H TYR A 95 12.707 -0.127 1.011 1.00 0.00 H new ATOM 0 HA TYR A 95 10.845 -1.062 2.992 1.00 0.00 H new ATOM 0 HB2 TYR A 95 10.580 -0.782 -0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 95 9.281 -1.205 1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 95 9.035 0.435 3.181 1.00 0.00 H new ATOM 0 HD2 TYR A 95 10.899 1.505 -0.487 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.756 2.800 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 95 10.585 3.881 0.051 1.00 0.00 H new ATOM 0 HH TYR A 95 9.200 5.288 1.468 1.00 0.00 H new ATOM 1548 N GLU A 96 12.405 -3.210 1.180 1.00 0.00 N ATOM 1549 CA GLU A 96 12.764 -4.625 1.094 1.00 0.00 C ATOM 1550 C GLU A 96 13.173 -5.115 2.493 1.00 0.00 C ATOM 1551 O GLU A 96 12.727 -6.168 2.954 1.00 0.00 O ATOM 1552 CB GLU A 96 13.912 -4.789 0.079 1.00 0.00 C ATOM 1553 CG GLU A 96 14.460 -6.197 -0.089 1.00 0.00 C ATOM 1554 CD GLU A 96 15.491 -6.269 -1.194 1.00 0.00 C ATOM 1555 OE1 GLU A 96 16.669 -5.907 -0.976 1.00 0.00 O ATOM 1556 OE2 GLU A 96 15.136 -6.671 -2.322 1.00 0.00 O ATOM 0 H GLU A 96 13.025 -2.596 0.652 1.00 0.00 H new ATOM 0 HA GLU A 96 11.920 -5.224 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 96 13.564 -4.438 -0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 96 14.731 -4.136 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 96 14.908 -6.527 0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.641 -6.882 -0.310 1.00 0.00 H new ATOM 1563 N ASP A 97 13.983 -4.303 3.168 1.00 0.00 N ATOM 1564 CA ASP A 97 14.416 -4.543 4.552 1.00 0.00 C ATOM 1565 C ASP A 97 13.204 -4.607 5.462 1.00 0.00 C ATOM 1566 O ASP A 97 13.038 -5.561 6.232 1.00 0.00 O ATOM 1567 CB ASP A 97 15.345 -3.408 5.012 1.00 0.00 C ATOM 1568 CG ASP A 97 15.806 -3.526 6.457 1.00 0.00 C ATOM 1569 OD1 ASP A 97 15.137 -2.986 7.367 1.00 0.00 O ATOM 1570 OD2 ASP A 97 16.890 -4.103 6.701 1.00 0.00 O ATOM 0 H ASP A 97 14.365 -3.446 2.768 1.00 0.00 H new ATOM 0 HA ASP A 97 14.955 -5.489 4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 97 16.221 -3.385 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.829 -2.457 4.884 1.00 0.00 H new ATOM 1575 N ARG A 98 12.332 -3.597 5.341 1.00 0.00 N ATOM 1576 CA ARG A 98 11.101 -3.545 6.121 1.00 0.00 C ATOM 1577 C ARG A 98 10.235 -4.770 5.873 1.00 0.00 C ATOM 1578 O ARG A 98 9.597 -5.257 6.786 1.00 0.00 O ATOM 1579 CB ARG A 98 10.275 -2.261 5.870 1.00 0.00 C ATOM 1580 CG ARG A 98 10.951 -0.966 6.316 1.00 0.00 C ATOM 1581 CD ARG A 98 10.033 0.246 6.120 1.00 0.00 C ATOM 1582 NE ARG A 98 8.786 0.148 6.922 1.00 0.00 N ATOM 1583 CZ ARG A 98 7.653 0.845 6.693 1.00 0.00 C ATOM 1584 NH1 ARG A 98 7.645 1.853 5.821 1.00 0.00 N ATOM 1585 NH2 ARG A 98 6.559 0.581 7.404 1.00 0.00 N ATOM 0 H ARG A 98 12.462 -2.807 4.708 1.00 0.00 H new ATOM 0 HA ARG A 98 11.415 -3.531 7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.054 -2.191 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.320 -2.353 6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.232 -1.044 7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.871 -0.822 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.570 1.153 6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.777 0.337 5.065 1.00 0.00 H new ATOM 0 HE ARG A 98 8.786 -0.499 7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.499 2.102 5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.785 2.375 5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.579 -0.146 8.119 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.701 1.106 7.234 1.00 0.00 H new ATOM 1599 N ALA A 99 10.202 -5.246 4.646 1.00 0.00 N ATOM 1600 CA ALA A 99 9.433 -6.423 4.299 1.00 0.00 C ATOM 1601 C ALA A 99 10.034 -7.651 4.944 1.00 0.00 C ATOM 1602 O ALA A 99 9.347 -8.397 5.636 1.00 0.00 O ATOM 1603 CB ALA A 99 9.380 -6.595 2.796 1.00 0.00 C ATOM 0 H ALA A 99 10.706 -4.830 3.863 1.00 0.00 H new ATOM 0 HA ALA A 99 8.416 -6.294 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.798 -7.484 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.911 -5.720 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 99 10.392 -6.705 2.406 1.00 0.00 H new ATOM 1609 N LYS A 100 11.326 -7.818 4.767 1.00 0.00 N ATOM 1610 CA LYS A 100 12.058 -8.964 5.282 1.00 0.00 C ATOM 1611 C LYS A 100 11.892 -9.086 6.809 1.00 0.00 C ATOM 1612 O LYS A 100 11.781 -10.191 7.352 1.00 0.00 O ATOM 1613 CB LYS A 100 13.539 -8.839 4.900 1.00 0.00 C ATOM 1614 CG LYS A 100 14.368 -10.086 5.141 1.00 0.00 C ATOM 1615 CD LYS A 100 13.893 -11.244 4.277 1.00 0.00 C ATOM 1616 CE LYS A 100 14.749 -12.476 4.481 1.00 0.00 C ATOM 1617 NZ LYS A 100 16.098 -12.302 3.942 1.00 0.00 N ATOM 0 H LYS A 100 11.909 -7.156 4.255 1.00 0.00 H new ATOM 0 HA LYS A 100 11.651 -9.872 4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.606 -8.574 3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 100 13.976 -8.015 5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.416 -9.875 4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.309 -10.367 6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.856 -11.477 4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.919 -10.951 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.810 -12.702 5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.274 -13.331 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.227 -12.927 3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.230 -11.313 3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.798 -12.543 4.673 1.00 0.00 H new ATOM 1631 N ALA A 101 11.822 -7.949 7.479 1.00 0.00 N ATOM 1632 CA ALA A 101 11.656 -7.889 8.930 1.00 0.00 C ATOM 1633 C ALA A 101 10.235 -8.285 9.383 1.00 0.00 C ATOM 1634 O ALA A 101 9.993 -8.517 10.565 1.00 0.00 O ATOM 1635 CB ALA A 101 12.001 -6.501 9.427 1.00 0.00 C ATOM 0 H ALA A 101 11.879 -7.033 7.034 1.00 0.00 H new ATOM 0 HA ALA A 101 12.338 -8.618 9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.876 -6.460 10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.035 -6.270 9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.340 -5.772 8.958 1.00 0.00 H new ATOM 1641 N LYS A 102 9.311 -8.378 8.443 1.00 0.00 N ATOM 1642 CA LYS A 102 7.913 -8.751 8.732 1.00 0.00 C ATOM 1643 C LYS A 102 7.707 -10.229 8.505 1.00 0.00 C ATOM 1644 O LYS A 102 6.575 -10.735 8.543 1.00 0.00 O ATOM 1645 CB LYS A 102 6.979 -7.964 7.826 1.00 0.00 C ATOM 1646 CG LYS A 102 7.034 -6.521 8.072 1.00 0.00 C ATOM 1647 CD LYS A 102 6.391 -5.768 6.960 1.00 0.00 C ATOM 1648 CE LYS A 102 6.293 -4.341 7.337 1.00 0.00 C ATOM 1649 NZ LYS A 102 7.557 -3.812 7.851 1.00 0.00 N ATOM 0 H LYS A 102 9.495 -8.200 7.456 1.00 0.00 H new ATOM 0 HA LYS A 102 7.695 -8.520 9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.238 -8.161 6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.957 -8.314 7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.533 -6.289 9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.072 -6.205 8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.974 -5.876 6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.400 -6.172 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.985 -3.759 6.468 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.517 -4.220 8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.489 -2.778 7.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.754 -4.229 8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.327 -4.052 7.194 1.00 0.00 H new ATOM 1663 N GLY A 103 8.794 -10.917 8.252 1.00 0.00 N ATOM 1664 CA GLY A 103 8.727 -12.324 8.001 1.00 0.00 C ATOM 1665 C GLY A 103 8.521 -12.606 6.537 1.00 0.00 C ATOM 1666 O GLY A 103 8.297 -13.745 6.144 1.00 0.00 O ATOM 0 H GLY A 103 9.733 -10.519 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.647 -12.801 8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.911 -12.760 8.577 1.00 0.00 H new ATOM 1670 N ILE A 104 8.585 -11.570 5.732 1.00 0.00 N ATOM 1671 CA ILE A 104 8.439 -11.712 4.304 1.00 0.00 C ATOM 1672 C ILE A 104 9.737 -12.257 3.765 1.00 0.00 C ATOM 1673 O ILE A 104 10.798 -11.682 3.998 1.00 0.00 O ATOM 1674 CB ILE A 104 8.124 -10.353 3.618 1.00 0.00 C ATOM 1675 CG1 ILE A 104 6.884 -9.695 4.245 1.00 0.00 C ATOM 1676 CG2 ILE A 104 7.948 -10.520 2.114 1.00 0.00 C ATOM 1677 CD1 ILE A 104 5.634 -10.515 4.151 1.00 0.00 C ATOM 0 H ILE A 104 8.739 -10.612 6.047 1.00 0.00 H new ATOM 0 HA ILE A 104 7.606 -12.382 4.094 1.00 0.00 H new ATOM 0 HB ILE A 104 8.977 -9.694 3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.090 -9.487 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.712 -8.735 3.758 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.729 -9.552 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.865 -10.922 1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.124 -11.206 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.809 -9.976 4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.399 -10.701 3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.783 -11.465 4.664 1.00 0.00 H new ATOM 1689 N VAL A 105 9.676 -13.371 3.119 1.00 0.00 N ATOM 1690 CA VAL A 105 10.862 -13.973 2.598 1.00 0.00 C ATOM 1691 C VAL A 105 11.068 -13.618 1.127 1.00 0.00 C ATOM 1692 O VAL A 105 10.341 -14.076 0.240 1.00 0.00 O ATOM 1693 CB VAL A 105 10.913 -15.517 2.864 1.00 0.00 C ATOM 1694 CG1 VAL A 105 9.685 -16.240 2.320 1.00 0.00 C ATOM 1695 CG2 VAL A 105 12.200 -16.134 2.318 1.00 0.00 C ATOM 0 H VAL A 105 8.816 -13.887 2.937 1.00 0.00 H new ATOM 0 HA VAL A 105 11.706 -13.551 3.144 1.00 0.00 H new ATOM 0 HB VAL A 105 10.907 -15.648 3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 105 9.768 -17.306 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.789 -15.845 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 105 9.619 -16.086 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 105 12.204 -17.205 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 105 12.256 -15.966 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 105 13.060 -15.671 2.803 1.00 0.00 H new ATOM 1705 N ILE A 106 11.992 -12.730 0.893 1.00 0.00 N ATOM 1706 CA ILE A 106 12.387 -12.380 -0.441 1.00 0.00 C ATOM 1707 C ILE A 106 13.885 -12.529 -0.515 1.00 0.00 C ATOM 1708 O ILE A 106 14.581 -12.146 0.439 1.00 0.00 O ATOM 1709 CB ILE A 106 11.980 -10.926 -0.909 1.00 0.00 C ATOM 1710 CG1 ILE A 106 12.649 -9.790 -0.079 1.00 0.00 C ATOM 1711 CG2 ILE A 106 10.472 -10.761 -0.960 1.00 0.00 C ATOM 1712 CD1 ILE A 106 12.135 -9.612 1.345 1.00 0.00 C ATOM 0 H ILE A 106 12.494 -12.227 1.625 1.00 0.00 H new ATOM 0 HA ILE A 106 11.853 -13.048 -1.118 1.00 0.00 H new ATOM 0 HB ILE A 106 12.370 -10.822 -1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.721 -9.982 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 106 12.515 -8.849 -0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.227 -9.750 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 106 10.051 -11.480 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.053 -10.934 0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.672 -8.795 1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 106 11.070 -9.382 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.295 -10.532 1.907 1.00 0.00 H new ATOM 1724 N PRO A 107 14.407 -13.146 -1.583 1.00 0.00 N ATOM 1725 CA PRO A 107 15.835 -13.319 -1.740 1.00 0.00 C ATOM 1726 C PRO A 107 16.553 -11.990 -1.880 1.00 0.00 C ATOM 1727 O PRO A 107 16.424 -11.293 -2.908 1.00 0.00 O ATOM 1728 CB PRO A 107 15.983 -14.130 -3.027 1.00 0.00 C ATOM 1729 CG PRO A 107 14.635 -14.699 -3.297 1.00 0.00 C ATOM 1730 CD PRO A 107 13.654 -13.742 -2.697 1.00 0.00 C ATOM 0 HA PRO A 107 16.274 -13.809 -0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.315 -13.500 -3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 107 16.726 -14.919 -2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 107 14.466 -14.810 -4.368 1.00 0.00 H new ATOM 0 HG3 PRO A 107 14.534 -15.690 -2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 107 13.335 -12.988 -3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 107 12.755 -14.251 -2.349 1.00 0.00 H new ATOM 1738 N GLU A 108 17.249 -11.625 -0.844 1.00 0.00 N ATOM 1739 CA GLU A 108 18.036 -10.440 -0.831 1.00 0.00 C ATOM 1740 C GLU A 108 19.476 -10.811 -1.144 1.00 0.00 C ATOM 1741 O GLU A 108 20.119 -11.551 -0.341 1.00 0.00 O ATOM 1742 CB GLU A 108 17.896 -9.669 0.505 1.00 0.00 C ATOM 1743 CG GLU A 108 18.237 -10.474 1.750 1.00 0.00 C ATOM 1744 CD GLU A 108 18.126 -9.679 3.015 1.00 0.00 C ATOM 1745 OE1 GLU A 108 18.999 -8.825 3.274 1.00 0.00 O ATOM 1746 OE2 GLU A 108 17.200 -9.920 3.797 1.00 0.00 O ATOM 1747 OXT GLU A 108 19.975 -10.406 -2.198 1.00 0.00 O ATOM 0 H GLU A 108 17.282 -12.155 0.027 1.00 0.00 H new ATOM 0 HA GLU A 108 17.676 -9.754 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.541 -8.791 0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 108 16.871 -9.308 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.573 -11.336 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 108 19.252 -10.860 1.659 1.00 0.00 H new TER 1754 GLU A 108