USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 815 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 4 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 25 GLN : amide:sc= -2.87! C(o=-3.4!,f=-2.5!) USER MOD Set 1.3: A 87 THR OG1 : rot 180:sc= -0.534 USER MOD Set 2.1: A 74 GLN : amide:sc= -9.08! C(o=-9.1!,f=-17!) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.00645 USER MOD Set 3.1: A 66 GLN : amide:sc= 1.17 K(o=2.2,f=-1.2!) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= 1.02 USER MOD Set 4.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 21 SER OG : rot 180:sc= -0.024 USER MOD Set 5.1: A 13 SER OG : rot 180:sc= -0.189 USER MOD Set 5.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ 146:sc= -0.113 (180deg=-0.88) USER MOD Single : A 7 SER OG : rot 100:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.477 K(o=-0.48,f=-3.1!) USER MOD Single : A 11 GLN : amide:sc= -1.55! K(o=-1.5!,f=-0.013) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -97:sc= 0.751 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.572 USER MOD Single : A 38 LYS NZ :NH3+ -123:sc= 0.0299 (180deg=-0.0461) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -35:sc= 1.34 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.773 K(o=-0.77,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= -3.94! (180deg=-4.14!) USER MOD Single : A 54 GLN : amide:sc= -0.222 K(o=-0.22,f=-0.96) USER MOD Single : A 56 ASN : amide:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= -0.0186 (180deg=-0.296) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 64 HIS : no HD1:sc= -0.831 K(o=-0.83,f=-1.8) USER MOD Single : A 69 MET CE :methyl 147:sc= -0.498 (180deg=-2.73!) USER MOD Single : A 71 TYR OH : rot 180:sc=-0.00528 USER MOD Single : A 79 ASN : amide:sc= -4.57! K(o=-4.6!,f=-0.44) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 160:sc= -0.134 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.04 USER MOD Single : A 93 MET CE :methyl -161:sc= -0.283 (180deg=-1.84) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc=-0.00459 (180deg=-0.161) USER MOD Single : A 98 ASN : amide:sc= -0.655! X(o=-0.65!,f=-0.16) USER MOD Single : A 101 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0372) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.972 20.852 -7.618 1.00 0.00 N ATOM 2 CA ARG A 1 3.475 19.778 -6.713 1.00 0.00 C ATOM 3 C ARG A 1 4.647 19.156 -5.955 1.00 0.00 C ATOM 4 O ARG A 1 4.760 17.934 -5.873 1.00 0.00 O ATOM 5 CB ARG A 1 2.751 18.713 -7.543 1.00 0.00 C ATOM 6 CG ARG A 1 3.677 18.186 -8.642 1.00 0.00 C ATOM 7 CD ARG A 1 2.909 17.175 -9.494 1.00 0.00 C ATOM 8 NE ARG A 1 3.772 16.613 -10.533 1.00 0.00 N ATOM 9 CZ ARG A 1 3.900 17.211 -11.717 1.00 0.00 C ATOM 10 NH1 ARG A 1 3.281 18.336 -11.947 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.648 16.677 -12.644 1.00 0.00 N ATOM 0 H1 ARG A 1 3.392 20.875 -8.481 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.909 21.770 -7.134 1.00 0.00 H new ATOM 0 H3 ARG A 1 4.962 20.661 -7.872 1.00 0.00 H new ATOM 0 HA ARG A 1 2.779 20.201 -5.989 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.433 17.893 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 1 1.850 19.137 -7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 1 4.032 19.009 -9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.556 17.717 -8.201 1.00 0.00 H new ATOM 0 HD2 ARG A 1 2.526 16.375 -8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.047 17.659 -9.953 1.00 0.00 H new ATOM 0 HE ARG A 1 4.284 15.750 -10.348 1.00 0.00 H new ATOM 0 HH11 ARG A 1 2.700 18.756 -11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 1 3.378 18.795 -12.853 1.00 0.00 H new ATOM 0 HH21 ARG A 1 5.136 15.800 -12.463 1.00 0.00 H new ATOM 0 HH22 ARG A 1 4.744 17.137 -13.549 1.00 0.00 H new ATOM 25 N GLU A 2 5.505 20.021 -5.396 1.00 0.00 N ATOM 26 CA GLU A 2 6.683 19.593 -4.622 1.00 0.00 C ATOM 27 C GLU A 2 6.497 18.195 -4.018 1.00 0.00 C ATOM 28 O GLU A 2 6.016 18.068 -2.894 1.00 0.00 O ATOM 29 CB GLU A 2 6.926 20.594 -3.490 1.00 0.00 C ATOM 30 CG GLU A 2 7.244 21.967 -4.087 1.00 0.00 C ATOM 31 CD GLU A 2 7.231 23.028 -2.992 1.00 0.00 C ATOM 32 OE1 GLU A 2 8.226 23.146 -2.298 1.00 0.00 O ATOM 33 OE2 GLU A 2 6.228 23.710 -2.869 1.00 0.00 O ATOM 0 H GLU A 2 5.404 21.034 -5.466 1.00 0.00 H new ATOM 0 HA GLU A 2 7.535 19.556 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.045 20.658 -2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.752 20.258 -2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.220 21.945 -4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.512 22.217 -4.855 1.00 0.00 H new ATOM 40 N PRO A 3 6.852 17.153 -4.742 1.00 0.00 N ATOM 41 CA PRO A 3 6.731 15.752 -4.292 1.00 0.00 C ATOM 42 C PRO A 3 8.098 15.161 -3.942 1.00 0.00 C ATOM 43 O PRO A 3 9.072 15.894 -3.766 1.00 0.00 O ATOM 44 CB PRO A 3 6.196 15.093 -5.558 1.00 0.00 C ATOM 45 CG PRO A 3 6.961 15.780 -6.665 1.00 0.00 C ATOM 46 CD PRO A 3 7.408 17.154 -6.104 1.00 0.00 C ATOM 0 HA PRO A 3 6.117 15.624 -3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.373 14.017 -5.556 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.121 15.239 -5.663 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.823 15.186 -6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.335 15.907 -7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.493 17.253 -6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.017 17.979 -6.699 1.00 0.00 H new ATOM 54 N SER A 4 8.168 13.835 -3.857 1.00 0.00 N ATOM 55 CA SER A 4 9.433 13.177 -3.550 1.00 0.00 C ATOM 56 C SER A 4 9.351 11.659 -3.821 1.00 0.00 C ATOM 57 O SER A 4 8.277 11.071 -3.701 1.00 0.00 O ATOM 58 CB SER A 4 9.791 13.441 -2.088 1.00 0.00 C ATOM 59 OG SER A 4 9.060 12.557 -1.249 1.00 0.00 O ATOM 0 H SER A 4 7.378 13.205 -3.994 1.00 0.00 H new ATOM 0 HA SER A 4 10.210 13.584 -4.197 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.861 13.302 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.564 14.475 -1.829 1.00 0.00 H new ATOM 0 HG SER A 4 9.293 12.727 -0.312 1.00 0.00 H new ATOM 65 N PRO A 5 10.454 11.019 -4.189 1.00 0.00 N ATOM 66 CA PRO A 5 10.486 9.546 -4.479 1.00 0.00 C ATOM 67 C PRO A 5 9.586 8.740 -3.532 1.00 0.00 C ATOM 68 O PRO A 5 9.164 9.252 -2.497 1.00 0.00 O ATOM 69 CB PRO A 5 11.963 9.185 -4.285 1.00 0.00 C ATOM 70 CG PRO A 5 12.728 10.430 -4.633 1.00 0.00 C ATOM 71 CD PRO A 5 11.790 11.626 -4.374 1.00 0.00 C ATOM 0 HA PRO A 5 10.108 9.312 -5.474 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.160 8.877 -3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.252 8.354 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.630 10.510 -4.027 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.045 10.408 -5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.097 12.186 -3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.796 12.323 -5.212 1.00 0.00 H new ATOM 79 N PRO A 6 9.274 7.499 -3.861 1.00 0.00 N ATOM 80 CA PRO A 6 8.400 6.648 -3.013 1.00 0.00 C ATOM 81 C PRO A 6 8.629 6.811 -1.517 1.00 0.00 C ATOM 82 O PRO A 6 9.622 7.391 -1.077 1.00 0.00 O ATOM 83 CB PRO A 6 8.701 5.232 -3.484 1.00 0.00 C ATOM 84 CG PRO A 6 8.993 5.394 -4.935 1.00 0.00 C ATOM 85 CD PRO A 6 9.696 6.761 -5.075 1.00 0.00 C ATOM 0 HA PRO A 6 7.353 6.928 -3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.550 4.805 -2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.853 4.567 -3.318 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.631 4.588 -5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.076 5.364 -5.524 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.780 6.651 -5.120 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.389 7.278 -5.985 1.00 0.00 H new ATOM 93 N SER A 7 7.654 6.334 -0.745 1.00 0.00 N ATOM 94 CA SER A 7 7.690 6.464 0.709 1.00 0.00 C ATOM 95 C SER A 7 6.891 5.341 1.372 1.00 0.00 C ATOM 96 O SER A 7 6.255 5.538 2.408 1.00 0.00 O ATOM 97 CB SER A 7 7.100 7.836 1.060 1.00 0.00 C ATOM 98 OG SER A 7 8.107 8.635 1.670 1.00 0.00 O ATOM 0 H SER A 7 6.829 5.854 -1.104 1.00 0.00 H new ATOM 0 HA SER A 7 8.714 6.386 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.726 8.325 0.161 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.253 7.719 1.736 1.00 0.00 H new ATOM 0 HG SER A 7 8.480 9.253 1.007 1.00 0.00 H new ATOM 104 N ILE A 8 6.907 4.174 0.751 1.00 0.00 N ATOM 105 CA ILE A 8 6.159 3.029 1.252 1.00 0.00 C ATOM 106 C ILE A 8 7.096 1.982 1.823 1.00 0.00 C ATOM 107 O ILE A 8 7.966 1.450 1.132 1.00 0.00 O ATOM 108 CB ILE A 8 5.341 2.432 0.102 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.511 3.543 -0.583 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.420 1.324 0.634 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.227 3.837 0.182 1.00 0.00 C ATOM 0 H ILE A 8 7.432 3.992 -0.105 1.00 0.00 H new ATOM 0 HA ILE A 8 5.494 3.356 2.051 1.00 0.00 H new ATOM 0 HB ILE A 8 6.018 1.998 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.108 4.452 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.267 3.240 -1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.842 0.905 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.022 0.539 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.741 1.741 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.671 4.623 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.618 2.934 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.472 4.165 1.192 1.00 0.00 H new ATOM 123 N HIS A 9 6.896 1.696 3.099 1.00 0.00 N ATOM 124 CA HIS A 9 7.700 0.710 3.815 1.00 0.00 C ATOM 125 C HIS A 9 6.824 -0.453 4.261 1.00 0.00 C ATOM 126 O HIS A 9 5.911 -0.279 5.065 1.00 0.00 O ATOM 127 CB HIS A 9 8.327 1.368 5.042 1.00 0.00 C ATOM 128 CG HIS A 9 9.391 2.340 4.607 1.00 0.00 C ATOM 129 ND1 HIS A 9 9.763 2.481 3.279 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.170 3.226 5.310 1.00 0.00 C ATOM 131 CE1 HIS A 9 10.724 3.421 3.225 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.009 3.908 4.435 1.00 0.00 N ATOM 0 H HIS A 9 6.175 2.137 3.669 1.00 0.00 H new ATOM 0 HA HIS A 9 8.481 0.336 3.153 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.562 1.886 5.620 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.759 0.608 5.693 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.136 3.371 6.380 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.206 3.743 2.314 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.695 4.626 4.668 1.00 0.00 H new ATOM 140 N GLY A 10 7.116 -1.644 3.739 1.00 0.00 N ATOM 141 CA GLY A 10 6.350 -2.839 4.093 1.00 0.00 C ATOM 142 C GLY A 10 7.026 -3.609 5.218 1.00 0.00 C ATOM 143 O GLY A 10 8.247 -3.580 5.364 1.00 0.00 O ATOM 0 H GLY A 10 7.872 -1.807 3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.343 -2.553 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.248 -3.482 3.219 1.00 0.00 H new ATOM 147 N GLN A 11 6.213 -4.295 6.013 1.00 0.00 N ATOM 148 CA GLN A 11 6.719 -5.078 7.136 1.00 0.00 C ATOM 149 C GLN A 11 5.751 -6.227 7.452 1.00 0.00 C ATOM 150 O GLN A 11 4.630 -5.972 7.890 1.00 0.00 O ATOM 151 CB GLN A 11 6.846 -4.187 8.379 1.00 0.00 C ATOM 152 CG GLN A 11 8.059 -3.261 8.251 1.00 0.00 C ATOM 153 CD GLN A 11 8.306 -2.552 9.579 1.00 0.00 C ATOM 154 OE1 GLN A 11 9.165 -1.674 9.665 1.00 0.00 O ATOM 155 NE2 GLN A 11 7.599 -2.878 10.625 1.00 0.00 N ATOM 0 H GLN A 11 5.200 -4.325 5.901 1.00 0.00 H new ATOM 0 HA GLN A 11 7.696 -5.481 6.867 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.940 -3.594 8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.946 -4.807 9.270 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.940 -3.836 7.965 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.888 -2.528 7.463 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.888 -3.605 10.553 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.757 -2.406 11.515 1.00 0.00 H new ATOM 164 N PRO A 12 6.133 -7.476 7.257 1.00 0.00 N ATOM 165 CA PRO A 12 5.223 -8.619 7.563 1.00 0.00 C ATOM 166 C PRO A 12 4.610 -8.495 8.966 1.00 0.00 C ATOM 167 O PRO A 12 5.130 -9.049 9.934 1.00 0.00 O ATOM 168 CB PRO A 12 6.132 -9.857 7.455 1.00 0.00 C ATOM 169 CG PRO A 12 7.257 -9.450 6.555 1.00 0.00 C ATOM 170 CD PRO A 12 7.436 -7.938 6.734 1.00 0.00 C ATOM 0 HA PRO A 12 4.371 -8.664 6.884 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.503 -10.158 8.435 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.589 -10.708 7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.172 -9.982 6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.030 -9.693 5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.246 -7.713 7.428 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.681 -7.452 5.790 1.00 0.00 H new ATOM 178 N SER A 13 3.507 -7.762 9.064 1.00 0.00 N ATOM 179 CA SER A 13 2.843 -7.571 10.350 1.00 0.00 C ATOM 180 C SER A 13 2.542 -8.914 11.004 1.00 0.00 C ATOM 181 O SER A 13 3.344 -9.433 11.780 1.00 0.00 O ATOM 182 CB SER A 13 1.539 -6.797 10.154 1.00 0.00 C ATOM 183 OG SER A 13 0.741 -6.924 11.323 1.00 0.00 O ATOM 0 H SER A 13 3.056 -7.294 8.278 1.00 0.00 H new ATOM 0 HA SER A 13 3.510 -7.004 11.000 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.752 -5.746 9.957 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.000 -7.181 9.288 1.00 0.00 H new ATOM 0 HG SER A 13 -0.096 -6.428 11.203 1.00 0.00 H new ATOM 189 N SER A 14 1.380 -9.476 10.678 1.00 0.00 N ATOM 190 CA SER A 14 0.966 -10.769 11.225 1.00 0.00 C ATOM 191 C SER A 14 0.352 -11.623 10.123 1.00 0.00 C ATOM 192 O SER A 14 -0.375 -11.117 9.269 1.00 0.00 O ATOM 193 CB SER A 14 -0.060 -10.555 12.340 1.00 0.00 C ATOM 194 OG SER A 14 0.550 -9.845 13.409 1.00 0.00 O ATOM 0 H SER A 14 0.707 -9.057 10.037 1.00 0.00 H new ATOM 0 HA SER A 14 1.839 -11.280 11.632 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.916 -9.998 11.960 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.436 -11.515 12.693 1.00 0.00 H new ATOM 0 HG SER A 14 -0.105 -9.705 14.124 1.00 0.00 H new ATOM 200 N GLY A 15 0.654 -12.917 10.135 1.00 0.00 N ATOM 201 CA GLY A 15 0.125 -13.811 9.115 1.00 0.00 C ATOM 202 C GLY A 15 0.642 -13.404 7.739 1.00 0.00 C ATOM 203 O GLY A 15 1.846 -13.249 7.542 1.00 0.00 O ATOM 0 H GLY A 15 1.253 -13.364 10.829 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.419 -14.838 9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.965 -13.782 9.125 1.00 0.00 H new ATOM 207 N LYS A 16 -0.275 -13.230 6.788 1.00 0.00 N ATOM 208 CA LYS A 16 0.099 -12.836 5.429 1.00 0.00 C ATOM 209 C LYS A 16 -0.111 -11.339 5.247 1.00 0.00 C ATOM 210 O LYS A 16 0.203 -10.781 4.202 1.00 0.00 O ATOM 211 CB LYS A 16 -0.745 -13.622 4.414 1.00 0.00 C ATOM 212 CG LYS A 16 -0.907 -15.069 4.915 1.00 0.00 C ATOM 213 CD LYS A 16 -1.258 -16.032 3.765 1.00 0.00 C ATOM 214 CE LYS A 16 -2.764 -15.985 3.467 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.466 -16.924 4.387 1.00 0.00 N ATOM 0 H LYS A 16 -1.277 -13.355 6.931 1.00 0.00 H new ATOM 0 HA LYS A 16 1.152 -13.062 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.722 -13.153 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.264 -13.613 3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.017 -15.394 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.689 -15.107 5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.696 -15.761 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.965 -17.048 4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.143 -14.972 3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.952 -16.262 2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.488 -16.900 4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.108 -17.889 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.293 -16.639 5.372 1.00 0.00 H new ATOM 229 N SER A 17 -0.629 -10.688 6.279 1.00 0.00 N ATOM 230 CA SER A 17 -0.864 -9.253 6.214 1.00 0.00 C ATOM 231 C SER A 17 0.457 -8.495 6.138 1.00 0.00 C ATOM 232 O SER A 17 1.473 -8.944 6.670 1.00 0.00 O ATOM 233 CB SER A 17 -1.652 -8.801 7.447 1.00 0.00 C ATOM 234 OG SER A 17 -0.754 -8.585 8.526 1.00 0.00 O ATOM 0 H SER A 17 -0.892 -11.125 7.162 1.00 0.00 H new ATOM 0 HA SER A 17 -1.441 -9.035 5.315 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.200 -7.885 7.226 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.389 -9.556 7.718 1.00 0.00 H new ATOM 0 HG SER A 17 -0.731 -9.381 9.097 1.00 0.00 H new ATOM 240 N PHE A 18 0.433 -7.342 5.466 1.00 0.00 N ATOM 241 CA PHE A 18 1.630 -6.510 5.312 1.00 0.00 C ATOM 242 C PHE A 18 1.317 -5.072 5.719 1.00 0.00 C ATOM 243 O PHE A 18 0.289 -4.519 5.328 1.00 0.00 O ATOM 244 CB PHE A 18 2.113 -6.554 3.832 1.00 0.00 C ATOM 245 CG PHE A 18 3.568 -6.975 3.754 1.00 0.00 C ATOM 246 CD1 PHE A 18 3.907 -8.334 3.729 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.576 -6.003 3.698 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.250 -8.719 3.647 1.00 0.00 C ATOM 249 CE2 PHE A 18 5.918 -6.394 3.618 1.00 0.00 C ATOM 250 CZ PHE A 18 6.254 -7.744 3.593 1.00 0.00 C ATOM 0 H PHE A 18 -0.402 -6.963 5.019 1.00 0.00 H new ATOM 0 HA PHE A 18 2.421 -6.895 5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.497 -7.251 3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.988 -5.573 3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.132 -9.085 3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.318 -4.954 3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.512 -9.767 3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.695 -5.645 3.576 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.291 -8.040 3.532 1.00 0.00 H new ATOM 260 N LYS A 19 2.218 -4.467 6.488 1.00 0.00 N ATOM 261 CA LYS A 19 2.038 -3.084 6.925 1.00 0.00 C ATOM 262 C LYS A 19 2.797 -2.146 5.998 1.00 0.00 C ATOM 263 O LYS A 19 3.988 -1.908 6.199 1.00 0.00 O ATOM 264 CB LYS A 19 2.588 -2.887 8.341 1.00 0.00 C ATOM 265 CG LYS A 19 2.178 -1.490 8.867 1.00 0.00 C ATOM 266 CD LYS A 19 3.230 -0.950 9.836 1.00 0.00 C ATOM 267 CE LYS A 19 2.867 0.487 10.212 1.00 0.00 C ATOM 268 NZ LYS A 19 3.911 1.049 11.116 1.00 0.00 N ATOM 0 H LYS A 19 3.075 -4.908 6.820 1.00 0.00 H new ATOM 0 HA LYS A 19 0.970 -2.865 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.204 -3.663 9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.674 -2.981 8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.058 -0.801 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.212 -1.553 9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.275 -1.573 10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.218 -0.981 9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.783 1.098 9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.895 0.510 10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.661 2.026 11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.970 0.472 11.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.831 1.042 10.631 1.00 0.00 H new ATOM 282 N LEU A 20 2.120 -1.593 4.999 1.00 0.00 N ATOM 283 CA LEU A 20 2.778 -0.662 4.087 1.00 0.00 C ATOM 284 C LEU A 20 2.605 0.743 4.639 1.00 0.00 C ATOM 285 O LEU A 20 1.599 1.400 4.390 1.00 0.00 O ATOM 286 CB LEU A 20 2.198 -0.759 2.661 1.00 0.00 C ATOM 287 CG LEU A 20 1.908 -2.229 2.287 1.00 0.00 C ATOM 288 CD1 LEU A 20 0.919 -2.275 1.123 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.209 -2.918 1.857 1.00 0.00 C ATOM 0 H LEU A 20 1.135 -1.767 4.801 1.00 0.00 H new ATOM 0 HA LEU A 20 3.836 -0.914 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.280 -0.174 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.901 -0.329 1.947 1.00 0.00 H new ATOM 0 HG LEU A 20 1.487 -2.740 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.715 -3.313 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.010 -1.785 1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.346 -1.760 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.002 -3.955 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.626 -2.401 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.925 -2.888 2.678 1.00 0.00 H new ATOM 301 N SER A 21 3.581 1.176 5.426 1.00 0.00 N ATOM 302 CA SER A 21 3.527 2.485 6.054 1.00 0.00 C ATOM 303 C SER A 21 3.665 3.596 5.024 1.00 0.00 C ATOM 304 O SER A 21 4.656 3.663 4.297 1.00 0.00 O ATOM 305 CB SER A 21 4.650 2.603 7.087 1.00 0.00 C ATOM 306 OG SER A 21 4.761 1.379 7.802 1.00 0.00 O ATOM 0 H SER A 21 4.420 0.638 5.644 1.00 0.00 H new ATOM 0 HA SER A 21 2.558 2.590 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.593 2.835 6.591 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.442 3.422 7.775 1.00 0.00 H new ATOM 0 HG SER A 21 5.481 1.451 8.463 1.00 0.00 H new ATOM 312 N ILE A 22 2.669 4.480 4.977 1.00 0.00 N ATOM 313 CA ILE A 22 2.705 5.593 4.045 1.00 0.00 C ATOM 314 C ILE A 22 3.484 6.734 4.709 1.00 0.00 C ATOM 315 O ILE A 22 3.016 7.307 5.688 1.00 0.00 O ATOM 316 CB ILE A 22 1.262 6.073 3.739 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.238 4.923 3.847 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.197 6.638 2.323 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.509 3.820 2.821 1.00 0.00 C ATOM 0 H ILE A 22 1.839 4.444 5.568 1.00 0.00 H new ATOM 0 HA ILE A 22 3.180 5.288 3.112 1.00 0.00 H new ATOM 0 HB ILE A 22 1.012 6.836 4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.271 4.501 4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.768 5.317 3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.182 6.974 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.884 7.480 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.479 5.864 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.234 3.030 2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.450 4.236 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.504 3.407 2.985 1.00 0.00 H new ATOM 331 N THR A 23 4.664 7.076 4.194 1.00 0.00 N ATOM 332 CA THR A 23 5.444 8.157 4.807 1.00 0.00 C ATOM 333 C THR A 23 5.107 9.488 4.147 1.00 0.00 C ATOM 334 O THR A 23 5.327 9.685 2.954 1.00 0.00 O ATOM 335 CB THR A 23 6.952 7.845 4.714 1.00 0.00 C ATOM 336 OG1 THR A 23 7.296 6.922 5.738 1.00 0.00 O ATOM 337 CG2 THR A 23 7.787 9.122 4.885 1.00 0.00 C ATOM 0 H THR A 23 5.093 6.638 3.379 1.00 0.00 H new ATOM 0 HA THR A 23 5.184 8.233 5.863 1.00 0.00 H new ATOM 0 HB THR A 23 7.163 7.422 3.732 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.253 6.717 5.685 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.847 8.876 4.816 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.528 9.834 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.580 9.564 5.860 1.00 0.00 H new ATOM 345 N LYS A 24 4.570 10.389 4.962 1.00 0.00 N ATOM 346 CA LYS A 24 4.178 11.716 4.516 1.00 0.00 C ATOM 347 C LYS A 24 5.182 12.288 3.528 1.00 0.00 C ATOM 348 O LYS A 24 6.273 12.717 3.904 1.00 0.00 O ATOM 349 CB LYS A 24 4.079 12.631 5.734 1.00 0.00 C ATOM 350 CG LYS A 24 5.470 12.780 6.395 1.00 0.00 C ATOM 351 CD LYS A 24 5.319 12.857 7.919 1.00 0.00 C ATOM 352 CE LYS A 24 5.073 11.448 8.504 1.00 0.00 C ATOM 353 NZ LYS A 24 6.305 10.979 9.201 1.00 0.00 N ATOM 0 H LYS A 24 4.395 10.217 5.952 1.00 0.00 H new ATOM 0 HA LYS A 24 3.215 11.646 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.702 13.609 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.368 12.221 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.102 11.934 6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.964 13.678 6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.218 13.289 8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.489 13.515 8.177 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.235 11.473 9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.805 10.753 7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.141 10.031 9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.094 10.941 8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.541 11.638 9.970 1.00 0.00 H new ATOM 367 N GLN A 25 4.797 12.307 2.262 1.00 0.00 N ATOM 368 CA GLN A 25 5.655 12.854 1.219 1.00 0.00 C ATOM 369 C GLN A 25 5.379 14.341 1.080 1.00 0.00 C ATOM 370 O GLN A 25 4.303 14.809 1.451 1.00 0.00 O ATOM 371 CB GLN A 25 5.382 12.166 -0.120 1.00 0.00 C ATOM 372 CG GLN A 25 5.780 10.693 -0.038 1.00 0.00 C ATOM 373 CD GLN A 25 5.606 10.039 -1.403 1.00 0.00 C ATOM 374 OE1 GLN A 25 6.225 10.465 -2.378 1.00 0.00 O ATOM 375 NE2 GLN A 25 4.780 9.037 -1.540 1.00 0.00 N ATOM 0 H GLN A 25 3.900 11.952 1.931 1.00 0.00 H new ATOM 0 HA GLN A 25 6.696 12.685 1.494 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.326 12.253 -0.375 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.943 12.660 -0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.816 10.604 0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.166 10.181 0.703 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.267 8.684 -0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.647 8.607 -2.455 1.00 0.00 H new ATOM 384 N ASP A 26 6.337 15.086 0.538 1.00 0.00 N ATOM 385 CA ASP A 26 6.142 16.517 0.357 1.00 0.00 C ATOM 386 C ASP A 26 4.786 16.738 -0.307 1.00 0.00 C ATOM 387 O ASP A 26 4.601 16.418 -1.481 1.00 0.00 O ATOM 388 CB ASP A 26 7.270 17.083 -0.508 1.00 0.00 C ATOM 389 CG ASP A 26 7.172 18.602 -0.581 1.00 0.00 C ATOM 390 OD1 ASP A 26 6.077 19.116 -0.423 1.00 0.00 O ATOM 391 OD2 ASP A 26 8.195 19.231 -0.795 1.00 0.00 O ATOM 0 H ASP A 26 7.239 14.730 0.222 1.00 0.00 H new ATOM 0 HA ASP A 26 6.161 17.031 1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.235 16.794 -0.093 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.215 16.660 -1.511 1.00 0.00 H new ATOM 396 N ASP A 27 3.823 17.222 0.469 1.00 0.00 N ATOM 397 CA ASP A 27 2.473 17.399 -0.047 1.00 0.00 C ATOM 398 C ASP A 27 2.443 18.318 -1.259 1.00 0.00 C ATOM 399 O ASP A 27 3.183 19.298 -1.345 1.00 0.00 O ATOM 400 CB ASP A 27 1.536 17.932 1.046 1.00 0.00 C ATOM 401 CG ASP A 27 1.705 17.113 2.322 1.00 0.00 C ATOM 402 OD1 ASP A 27 1.688 15.897 2.226 1.00 0.00 O ATOM 403 OD2 ASP A 27 1.847 17.713 3.374 1.00 0.00 O ATOM 0 H ASP A 27 3.949 17.495 1.444 1.00 0.00 H new ATOM 0 HA ASP A 27 2.122 16.418 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.756 18.981 1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.502 17.882 0.706 1.00 0.00 H new ATOM 408 N GLY A 28 1.572 17.967 -2.199 1.00 0.00 N ATOM 409 CA GLY A 28 1.414 18.719 -3.435 1.00 0.00 C ATOM 410 C GLY A 28 1.189 20.209 -3.178 1.00 0.00 C ATOM 411 O GLY A 28 1.410 21.034 -4.066 1.00 0.00 O ATOM 0 H GLY A 28 0.958 17.156 -2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.302 18.589 -4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.571 18.317 -3.998 1.00 0.00 H new ATOM 415 N GLY A 29 0.749 20.560 -1.970 1.00 0.00 N ATOM 416 CA GLY A 29 0.507 21.969 -1.637 1.00 0.00 C ATOM 417 C GLY A 29 -0.647 22.138 -0.647 1.00 0.00 C ATOM 418 O GLY A 29 -0.955 23.254 -0.233 1.00 0.00 O ATOM 0 H GLY A 29 0.555 19.903 -1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.413 22.401 -1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.285 22.523 -2.549 1.00 0.00 H new ATOM 422 N ALA A 30 -1.279 21.033 -0.259 1.00 0.00 N ATOM 423 CA ALA A 30 -2.390 21.097 0.690 1.00 0.00 C ATOM 424 C ALA A 30 -2.481 19.786 1.468 1.00 0.00 C ATOM 425 O ALA A 30 -2.103 18.733 0.953 1.00 0.00 O ATOM 426 CB ALA A 30 -3.703 21.352 -0.060 1.00 0.00 C ATOM 0 H ALA A 30 -1.046 20.094 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.216 21.915 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.526 21.398 0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.636 22.297 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.881 20.542 -0.767 1.00 0.00 H new ATOM 432 N PRO A 31 -2.963 19.819 2.689 1.00 0.00 N ATOM 433 CA PRO A 31 -3.079 18.591 3.521 1.00 0.00 C ATOM 434 C PRO A 31 -4.053 17.583 2.919 1.00 0.00 C ATOM 435 O PRO A 31 -5.159 17.929 2.504 1.00 0.00 O ATOM 436 CB PRO A 31 -3.564 19.110 4.889 1.00 0.00 C ATOM 437 CG PRO A 31 -4.212 20.426 4.595 1.00 0.00 C ATOM 438 CD PRO A 31 -3.452 21.012 3.406 1.00 0.00 C ATOM 0 HA PRO A 31 -2.135 18.050 3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.269 18.416 5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.733 19.226 5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.268 20.297 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.158 21.089 5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.100 21.621 2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.630 21.651 3.730 1.00 0.00 H new ATOM 446 N ILE A 32 -3.616 16.335 2.877 1.00 0.00 N ATOM 447 CA ILE A 32 -4.425 15.254 2.325 1.00 0.00 C ATOM 448 C ILE A 32 -5.488 14.793 3.325 1.00 0.00 C ATOM 449 O ILE A 32 -5.178 14.507 4.481 1.00 0.00 O ATOM 450 CB ILE A 32 -3.503 14.075 1.991 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.556 14.450 0.808 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.355 12.841 1.635 1.00 0.00 C ATOM 453 CD1 ILE A 32 -1.103 14.081 1.130 1.00 0.00 C ATOM 0 H ILE A 32 -2.701 16.042 3.220 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.932 15.616 1.430 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.887 13.840 2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.875 13.932 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.627 15.519 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.700 12.003 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.987 12.578 2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.981 13.068 0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.464 14.353 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.780 14.620 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.031 13.008 1.309 1.00 0.00 H new ATOM 465 N LEU A 33 -6.734 14.702 2.865 1.00 0.00 N ATOM 466 CA LEU A 33 -7.821 14.243 3.730 1.00 0.00 C ATOM 467 C LEU A 33 -7.818 12.713 3.808 1.00 0.00 C ATOM 468 O LEU A 33 -7.944 12.137 4.889 1.00 0.00 O ATOM 469 CB LEU A 33 -9.174 14.753 3.204 1.00 0.00 C ATOM 470 CG LEU A 33 -9.421 16.186 3.687 1.00 0.00 C ATOM 471 CD1 LEU A 33 -8.354 17.122 3.115 1.00 0.00 C ATOM 472 CD2 LEU A 33 -10.805 16.648 3.224 1.00 0.00 C ATOM 0 H LEU A 33 -7.015 14.936 1.913 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.668 14.644 4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.185 14.721 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.976 14.101 3.550 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.371 16.210 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.537 18.138 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.368 16.796 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.395 17.099 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.982 17.667 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.853 16.618 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.567 15.988 3.639 1.00 0.00 H new ATOM 484 N GLU A 34 -7.658 12.056 2.657 1.00 0.00 N ATOM 485 CA GLU A 34 -7.622 10.586 2.613 1.00 0.00 C ATOM 486 C GLU A 34 -6.613 10.088 1.603 1.00 0.00 C ATOM 487 O GLU A 34 -6.179 10.819 0.713 1.00 0.00 O ATOM 488 CB GLU A 34 -8.984 9.983 2.230 1.00 0.00 C ATOM 489 CG GLU A 34 -10.001 10.148 3.372 1.00 0.00 C ATOM 490 CD GLU A 34 -10.778 11.458 3.234 1.00 0.00 C ATOM 491 OE1 GLU A 34 -10.453 12.231 2.349 1.00 0.00 O ATOM 492 OE2 GLU A 34 -11.691 11.662 4.016 1.00 0.00 O ATOM 0 H GLU A 34 -7.552 12.510 1.750 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.347 10.271 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.361 10.469 1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.864 8.925 1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.695 9.308 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.482 10.129 4.330 1.00 0.00 H new ATOM 499 N TYR A 35 -6.275 8.806 1.738 1.00 0.00 N ATOM 500 CA TYR A 35 -5.346 8.156 0.827 1.00 0.00 C ATOM 501 C TYR A 35 -6.051 7.032 0.069 1.00 0.00 C ATOM 502 O TYR A 35 -6.419 6.014 0.656 1.00 0.00 O ATOM 503 CB TYR A 35 -4.165 7.555 1.610 1.00 0.00 C ATOM 504 CG TYR A 35 -3.057 8.564 1.800 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.304 9.756 2.477 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.772 8.283 1.331 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.264 10.674 2.683 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.734 9.197 1.524 1.00 0.00 C ATOM 509 CZ TYR A 35 -0.978 10.392 2.201 1.00 0.00 C ATOM 510 OH TYR A 35 0.052 11.285 2.411 1.00 0.00 O ATOM 0 H TYR A 35 -6.635 8.199 2.474 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.980 8.904 0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.512 7.206 2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.779 6.685 1.078 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.296 9.973 2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.580 7.353 0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.453 11.596 3.212 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.255 8.979 1.150 1.00 0.00 H new ATOM 0 HH TYR A 35 0.876 10.934 2.013 1.00 0.00 H new ATOM 520 N ILE A 36 -6.191 7.200 -1.238 1.00 0.00 N ATOM 521 CA ILE A 36 -6.799 6.171 -2.064 1.00 0.00 C ATOM 522 C ILE A 36 -5.708 5.217 -2.500 1.00 0.00 C ATOM 523 O ILE A 36 -4.831 5.570 -3.289 1.00 0.00 O ATOM 524 CB ILE A 36 -7.459 6.800 -3.284 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.584 7.721 -2.809 1.00 0.00 C ATOM 526 CG2 ILE A 36 -8.032 5.700 -4.190 1.00 0.00 C ATOM 527 CD1 ILE A 36 -9.062 8.584 -3.975 1.00 0.00 C ATOM 0 H ILE A 36 -5.894 8.034 -1.745 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.565 5.639 -1.500 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.725 7.373 -3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.412 7.130 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.231 8.354 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.503 6.155 -5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.227 5.041 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.773 5.123 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.864 9.241 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.232 9.186 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.431 7.942 -4.775 1.00 0.00 H new ATOM 539 N VAL A 37 -5.755 4.015 -1.956 1.00 0.00 N ATOM 540 CA VAL A 37 -4.757 3.001 -2.250 1.00 0.00 C ATOM 541 C VAL A 37 -5.407 1.852 -2.995 1.00 0.00 C ATOM 542 O VAL A 37 -6.450 1.347 -2.579 1.00 0.00 O ATOM 543 CB VAL A 37 -4.165 2.519 -0.928 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.034 1.509 -1.191 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.647 3.733 -0.133 1.00 0.00 C ATOM 0 H VAL A 37 -6.479 3.715 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.965 3.410 -2.878 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.934 2.016 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.619 1.172 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.430 0.653 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.251 1.985 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.223 3.395 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.879 4.246 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.472 4.418 0.064 1.00 0.00 H new ATOM 555 N LYS A 38 -4.798 1.440 -4.110 1.00 0.00 N ATOM 556 CA LYS A 38 -5.346 0.349 -4.907 1.00 0.00 C ATOM 557 C LYS A 38 -4.291 -0.727 -5.114 1.00 0.00 C ATOM 558 O LYS A 38 -3.153 -0.418 -5.457 1.00 0.00 O ATOM 559 CB LYS A 38 -5.795 0.886 -6.264 1.00 0.00 C ATOM 560 CG LYS A 38 -6.858 1.963 -6.056 1.00 0.00 C ATOM 561 CD LYS A 38 -7.381 2.435 -7.422 1.00 0.00 C ATOM 562 CE LYS A 38 -8.337 1.388 -8.043 1.00 0.00 C ATOM 563 NZ LYS A 38 -9.661 2.023 -8.296 1.00 0.00 N ATOM 0 H LYS A 38 -3.935 1.843 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.198 -0.082 -4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.943 1.299 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.196 0.076 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.679 1.569 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.437 2.804 -5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.902 3.385 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.542 2.611 -8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.920 1.005 -8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.451 0.538 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.402 1.490 -7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.647 3.004 -7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.859 2.019 -9.317 1.00 0.00 H new ATOM 577 N TYR A 39 -4.661 -1.993 -4.909 1.00 0.00 N ATOM 578 CA TYR A 39 -3.703 -3.087 -5.085 1.00 0.00 C ATOM 579 C TYR A 39 -4.332 -4.284 -5.791 1.00 0.00 C ATOM 580 O TYR A 39 -5.530 -4.537 -5.674 1.00 0.00 O ATOM 581 CB TYR A 39 -3.145 -3.527 -3.726 1.00 0.00 C ATOM 582 CG TYR A 39 -4.243 -4.040 -2.813 1.00 0.00 C ATOM 583 CD1 TYR A 39 -4.933 -3.164 -1.956 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.538 -5.410 -2.790 1.00 0.00 C ATOM 585 CE1 TYR A 39 -5.915 -3.667 -1.085 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.520 -5.905 -1.925 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.207 -5.034 -1.073 1.00 0.00 C ATOM 588 OH TYR A 39 -7.173 -5.524 -0.217 1.00 0.00 O ATOM 0 H TYR A 39 -5.597 -2.283 -4.627 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.893 -2.713 -5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.399 -4.308 -3.874 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.638 -2.687 -3.251 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.709 -2.108 -1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.005 -6.086 -3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.444 -2.997 -0.424 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.748 -6.961 -1.915 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.253 -6.494 -0.335 1.00 0.00 H new ATOM 598 N ARG A 40 -3.493 -5.027 -6.520 1.00 0.00 N ATOM 599 CA ARG A 40 -3.940 -6.219 -7.244 1.00 0.00 C ATOM 600 C ARG A 40 -2.858 -7.288 -7.206 1.00 0.00 C ATOM 601 O ARG A 40 -1.756 -7.038 -6.730 1.00 0.00 O ATOM 602 CB ARG A 40 -4.261 -5.893 -8.708 1.00 0.00 C ATOM 603 CG ARG A 40 -3.039 -5.278 -9.423 1.00 0.00 C ATOM 604 CD ARG A 40 -3.173 -5.515 -10.929 1.00 0.00 C ATOM 605 NE ARG A 40 -2.061 -4.914 -11.662 1.00 0.00 N ATOM 606 CZ ARG A 40 -0.930 -5.581 -11.877 1.00 0.00 C ATOM 607 NH1 ARG A 40 -0.764 -6.771 -11.367 1.00 0.00 N ATOM 608 NH2 ARG A 40 0.017 -5.045 -12.600 1.00 0.00 N ATOM 0 H ARG A 40 -2.499 -4.823 -6.624 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.845 -6.582 -6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.570 -6.801 -9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.100 -5.199 -8.753 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.978 -4.210 -9.214 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.119 -5.729 -9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.207 -6.586 -11.129 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.114 -5.095 -11.283 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.154 -3.962 -12.017 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.502 -7.191 -10.802 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.104 -7.281 -11.533 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.111 -4.115 -13.000 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.884 -5.556 -12.765 1.00 0.00 H new ATOM 622 N SER A 41 -3.168 -8.470 -7.734 1.00 0.00 N ATOM 623 CA SER A 41 -2.189 -9.554 -7.775 1.00 0.00 C ATOM 624 C SER A 41 -1.305 -9.414 -9.014 1.00 0.00 C ATOM 625 O SER A 41 -1.778 -9.030 -10.085 1.00 0.00 O ATOM 626 CB SER A 41 -2.892 -10.911 -7.794 1.00 0.00 C ATOM 627 OG SER A 41 -3.817 -10.979 -6.717 1.00 0.00 O ATOM 0 H SER A 41 -4.077 -8.700 -8.135 1.00 0.00 H new ATOM 0 HA SER A 41 -1.569 -9.493 -6.881 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.411 -11.051 -8.742 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.159 -11.714 -7.710 1.00 0.00 H new ATOM 0 HG SER A 41 -3.453 -10.501 -5.943 1.00 0.00 H new ATOM 633 N LYS A 42 -0.027 -9.731 -8.865 1.00 0.00 N ATOM 634 CA LYS A 42 0.909 -9.639 -9.984 1.00 0.00 C ATOM 635 C LYS A 42 0.533 -10.604 -11.109 1.00 0.00 C ATOM 636 O LYS A 42 0.713 -10.290 -12.285 1.00 0.00 O ATOM 637 CB LYS A 42 2.348 -9.901 -9.502 1.00 0.00 C ATOM 638 CG LYS A 42 2.892 -8.641 -8.820 1.00 0.00 C ATOM 639 CD LYS A 42 4.358 -8.829 -8.432 1.00 0.00 C ATOM 640 CE LYS A 42 4.818 -7.597 -7.652 1.00 0.00 C ATOM 641 NZ LYS A 42 6.205 -7.805 -7.149 1.00 0.00 N ATOM 0 H LYS A 42 0.386 -10.052 -7.989 1.00 0.00 H new ATOM 0 HA LYS A 42 0.853 -8.627 -10.385 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.364 -10.740 -8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.982 -10.174 -10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.794 -7.787 -9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.301 -8.418 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.477 -9.727 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.971 -8.963 -9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.782 -6.716 -8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.143 -7.411 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.512 -6.964 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.226 -8.635 -6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.846 -7.961 -7.953 1.00 0.00 H new ATOM 655 N ASP A 43 0.021 -11.774 -10.750 1.00 0.00 N ATOM 656 CA ASP A 43 -0.364 -12.765 -11.752 1.00 0.00 C ATOM 657 C ASP A 43 -1.673 -12.383 -12.447 1.00 0.00 C ATOM 658 O ASP A 43 -2.052 -12.999 -13.444 1.00 0.00 O ATOM 659 CB ASP A 43 -0.518 -14.135 -11.092 1.00 0.00 C ATOM 660 CG ASP A 43 -0.621 -15.224 -12.153 1.00 0.00 C ATOM 661 OD1 ASP A 43 -0.120 -15.010 -13.245 1.00 0.00 O ATOM 662 OD2 ASP A 43 -1.198 -16.257 -11.859 1.00 0.00 O ATOM 0 H ASP A 43 -0.137 -12.060 -9.784 1.00 0.00 H new ATOM 0 HA ASP A 43 0.423 -12.801 -12.506 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.334 -14.331 -10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.408 -14.145 -10.463 1.00 0.00 H new ATOM 667 N LYS A 44 -2.367 -11.371 -11.917 1.00 0.00 N ATOM 668 CA LYS A 44 -3.637 -10.926 -12.491 1.00 0.00 C ATOM 669 C LYS A 44 -3.599 -9.438 -12.784 1.00 0.00 C ATOM 670 O LYS A 44 -2.852 -8.677 -12.169 1.00 0.00 O ATOM 671 CB LYS A 44 -4.789 -11.216 -11.516 1.00 0.00 C ATOM 672 CG LYS A 44 -4.794 -12.704 -11.139 1.00 0.00 C ATOM 673 CD LYS A 44 -5.440 -13.553 -12.259 1.00 0.00 C ATOM 674 CE LYS A 44 -4.791 -14.935 -12.288 1.00 0.00 C ATOM 675 NZ LYS A 44 -5.608 -15.859 -13.125 1.00 0.00 N ATOM 0 H LYS A 44 -2.070 -10.847 -11.094 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.797 -11.471 -13.421 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.680 -10.605 -10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.741 -10.945 -11.973 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.773 -13.042 -10.963 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.342 -12.846 -10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.512 -13.646 -12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.314 -13.060 -13.223 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.780 -14.864 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.705 -15.328 -11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.162 -16.798 -13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.564 -15.937 -12.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.668 -15.487 -14.094 1.00 0.00 H new ATOM 689 N GLU A 45 -4.421 -9.043 -13.738 1.00 0.00 N ATOM 690 CA GLU A 45 -4.516 -7.642 -14.151 1.00 0.00 C ATOM 691 C GLU A 45 -5.933 -7.310 -14.612 1.00 0.00 C ATOM 692 O GLU A 45 -6.144 -6.334 -15.332 1.00 0.00 O ATOM 693 CB GLU A 45 -3.533 -7.364 -15.291 1.00 0.00 C ATOM 694 CG GLU A 45 -3.807 -8.332 -16.445 1.00 0.00 C ATOM 695 CD GLU A 45 -2.840 -8.062 -17.594 1.00 0.00 C ATOM 696 OE1 GLU A 45 -2.961 -7.015 -18.207 1.00 0.00 O ATOM 697 OE2 GLU A 45 -1.998 -8.908 -17.847 1.00 0.00 O ATOM 0 H GLU A 45 -5.040 -9.673 -14.249 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.268 -7.016 -13.294 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.637 -6.334 -15.633 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.508 -7.481 -14.939 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.698 -9.361 -16.101 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.835 -8.218 -16.790 1.00 0.00 H new ATOM 704 N ASP A 46 -6.900 -8.132 -14.203 1.00 0.00 N ATOM 705 CA ASP A 46 -8.298 -7.921 -14.590 1.00 0.00 C ATOM 706 C ASP A 46 -9.076 -7.158 -13.520 1.00 0.00 C ATOM 707 O ASP A 46 -10.275 -6.923 -13.675 1.00 0.00 O ATOM 708 CB ASP A 46 -8.980 -9.268 -14.836 1.00 0.00 C ATOM 709 CG ASP A 46 -10.443 -9.044 -15.206 1.00 0.00 C ATOM 710 OD1 ASP A 46 -10.688 -8.330 -16.165 1.00 0.00 O ATOM 711 OD2 ASP A 46 -11.297 -9.576 -14.517 1.00 0.00 O ATOM 0 H ASP A 46 -6.744 -8.945 -13.608 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.296 -7.325 -15.503 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.470 -9.804 -15.637 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.912 -9.889 -13.943 1.00 0.00 H new ATOM 716 N GLN A 47 -8.415 -6.777 -12.430 1.00 0.00 N ATOM 717 CA GLN A 47 -9.111 -6.053 -11.367 1.00 0.00 C ATOM 718 C GLN A 47 -8.143 -5.290 -10.469 1.00 0.00 C ATOM 719 O GLN A 47 -6.958 -5.615 -10.387 1.00 0.00 O ATOM 720 CB GLN A 47 -9.921 -7.034 -10.517 1.00 0.00 C ATOM 721 CG GLN A 47 -8.974 -8.050 -9.877 1.00 0.00 C ATOM 722 CD GLN A 47 -9.771 -9.161 -9.203 1.00 0.00 C ATOM 723 OE1 GLN A 47 -9.239 -10.241 -8.951 1.00 0.00 O ATOM 724 NE2 GLN A 47 -11.025 -8.961 -8.898 1.00 0.00 N ATOM 0 H GLN A 47 -7.424 -6.951 -12.260 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.773 -5.329 -11.842 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.471 -6.496 -9.745 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.658 -7.546 -11.135 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.316 -8.473 -10.636 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.337 -7.554 -9.145 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.464 -8.065 -9.108 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.565 -9.701 -8.450 1.00 0.00 H new ATOM 733 N TRP A 48 -8.675 -4.272 -9.789 1.00 0.00 N ATOM 734 CA TRP A 48 -7.886 -3.447 -8.873 1.00 0.00 C ATOM 735 C TRP A 48 -8.675 -3.201 -7.590 1.00 0.00 C ATOM 736 O TRP A 48 -9.622 -2.414 -7.568 1.00 0.00 O ATOM 737 CB TRP A 48 -7.531 -2.106 -9.544 1.00 0.00 C ATOM 738 CG TRP A 48 -6.272 -2.235 -10.351 1.00 0.00 C ATOM 739 CD1 TRP A 48 -6.212 -2.537 -11.670 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.900 -2.058 -9.910 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.884 -2.547 -12.061 1.00 0.00 N ATOM 742 CE2 TRP A 48 -4.037 -2.256 -11.012 1.00 0.00 C ATOM 743 CE3 TRP A 48 -4.325 -1.742 -8.670 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.650 -2.146 -10.884 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.933 -1.630 -8.536 1.00 0.00 C ATOM 746 CH2 TRP A 48 -2.097 -1.827 -9.641 1.00 0.00 C ATOM 0 H TRP A 48 -9.655 -3.998 -9.857 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.962 -3.970 -8.626 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.351 -1.787 -10.188 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.405 -1.335 -8.784 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -7.059 -2.737 -12.310 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.570 -2.746 -13.011 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.960 -1.584 -7.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.010 -2.306 -11.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.504 -1.390 -7.574 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.027 -1.733 -9.533 1.00 0.00 H new ATOM 757 N LEU A 49 -8.268 -3.875 -6.522 1.00 0.00 N ATOM 758 CA LEU A 49 -8.930 -3.720 -5.232 1.00 0.00 C ATOM 759 C LEU A 49 -8.671 -2.314 -4.706 1.00 0.00 C ATOM 760 O LEU A 49 -7.607 -1.757 -4.949 1.00 0.00 O ATOM 761 CB LEU A 49 -8.369 -4.750 -4.248 1.00 0.00 C ATOM 762 CG LEU A 49 -8.475 -6.158 -4.851 1.00 0.00 C ATOM 763 CD1 LEU A 49 -7.760 -7.158 -3.939 1.00 0.00 C ATOM 764 CD2 LEU A 49 -9.952 -6.559 -4.993 1.00 0.00 C ATOM 0 H LEU A 49 -7.487 -4.531 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.003 -3.876 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.328 -4.520 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.919 -4.705 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.008 -6.161 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.835 -8.158 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.710 -6.880 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.225 -7.149 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.018 -7.559 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.427 -6.553 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.460 -5.850 -5.647 1.00 0.00 H new ATOM 776 N GLU A 50 -9.646 -1.734 -4.002 1.00 0.00 N ATOM 777 CA GLU A 50 -9.495 -0.373 -3.466 1.00 0.00 C ATOM 778 C GLU A 50 -9.316 -0.395 -1.959 1.00 0.00 C ATOM 779 O GLU A 50 -9.779 -1.307 -1.275 1.00 0.00 O ATOM 780 CB GLU A 50 -10.728 0.469 -3.809 1.00 0.00 C ATOM 781 CG GLU A 50 -10.812 0.689 -5.323 1.00 0.00 C ATOM 782 CD GLU A 50 -12.044 1.523 -5.654 1.00 0.00 C ATOM 783 OE1 GLU A 50 -12.709 1.951 -4.726 1.00 0.00 O ATOM 784 OE2 GLU A 50 -12.306 1.718 -6.829 1.00 0.00 O ATOM 0 H GLU A 50 -10.540 -2.177 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.607 0.066 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.629 -0.032 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.676 1.430 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.913 1.194 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.862 -0.271 -5.837 1.00 0.00 H new ATOM 791 N LYS A 51 -8.618 0.620 -1.455 1.00 0.00 N ATOM 792 CA LYS A 51 -8.343 0.727 -0.034 1.00 0.00 C ATOM 793 C LYS A 51 -8.218 2.201 0.350 1.00 0.00 C ATOM 794 O LYS A 51 -7.302 2.888 -0.092 1.00 0.00 O ATOM 795 CB LYS A 51 -7.047 -0.036 0.220 1.00 0.00 C ATOM 796 CG LYS A 51 -6.592 0.075 1.681 1.00 0.00 C ATOM 797 CD LYS A 51 -7.570 -0.617 2.650 1.00 0.00 C ATOM 798 CE LYS A 51 -8.022 -1.983 2.137 1.00 0.00 C ATOM 799 NZ LYS A 51 -8.637 -2.756 3.252 1.00 0.00 N ATOM 0 H LYS A 51 -8.234 1.380 -2.016 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.145 0.305 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.188 -1.086 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.265 0.350 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.603 -0.370 1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.498 1.127 1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.092 -0.736 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.442 0.020 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.741 -1.859 1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.172 -2.529 1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.944 -3.686 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.938 -2.886 4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.458 -2.237 3.623 1.00 0.00 H new ATOM 813 N LYS A 52 -9.163 2.686 1.150 1.00 0.00 N ATOM 814 CA LYS A 52 -9.171 4.094 1.565 1.00 0.00 C ATOM 815 C LYS A 52 -8.547 4.243 2.949 1.00 0.00 C ATOM 816 O LYS A 52 -8.782 3.417 3.830 1.00 0.00 O ATOM 817 CB LYS A 52 -10.615 4.606 1.620 1.00 0.00 C ATOM 818 CG LYS A 52 -11.368 4.279 0.320 1.00 0.00 C ATOM 819 CD LYS A 52 -10.855 5.135 -0.844 1.00 0.00 C ATOM 820 CE LYS A 52 -11.674 4.817 -2.098 1.00 0.00 C ATOM 821 NZ LYS A 52 -11.211 5.676 -3.224 1.00 0.00 N ATOM 0 H LYS A 52 -9.932 2.131 1.525 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.594 4.671 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.132 4.155 2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.616 5.684 1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.245 3.223 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.435 4.452 0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.939 6.194 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.799 4.932 -1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.564 3.765 -2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.733 4.989 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.518 5.260 -4.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.618 6.628 -3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.173 5.740 -3.207 1.00 0.00 H new ATOM 835 N VAL A 53 -7.752 5.301 3.143 1.00 0.00 N ATOM 836 CA VAL A 53 -7.105 5.536 4.436 1.00 0.00 C ATOM 837 C VAL A 53 -7.211 7.004 4.842 1.00 0.00 C ATOM 838 O VAL A 53 -7.432 7.883 4.012 1.00 0.00 O ATOM 839 CB VAL A 53 -5.619 5.103 4.399 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.202 4.524 5.755 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.410 4.052 3.308 1.00 0.00 C ATOM 0 H VAL A 53 -7.543 6.000 2.430 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.625 4.931 5.179 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.006 5.977 4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.155 4.223 5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.334 5.280 6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.820 3.656 5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.362 3.752 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.033 3.182 3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.686 4.472 2.341 1.00 0.00 H new ATOM 851 N GLN A 54 -7.033 7.247 6.130 1.00 0.00 N ATOM 852 CA GLN A 54 -7.088 8.600 6.665 1.00 0.00 C ATOM 853 C GLN A 54 -5.772 9.313 6.373 1.00 0.00 C ATOM 854 O GLN A 54 -4.704 8.702 6.421 1.00 0.00 O ATOM 855 CB GLN A 54 -7.334 8.554 8.176 1.00 0.00 C ATOM 856 CG GLN A 54 -7.617 9.964 8.699 1.00 0.00 C ATOM 857 CD GLN A 54 -8.974 10.449 8.202 1.00 0.00 C ATOM 858 OE1 GLN A 54 -9.936 9.682 8.170 1.00 0.00 O ATOM 859 NE2 GLN A 54 -9.110 11.687 7.812 1.00 0.00 N ATOM 0 H GLN A 54 -6.849 6.525 6.826 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.906 9.144 6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.177 7.899 8.397 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.464 8.136 8.683 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.599 9.966 9.789 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.835 10.647 8.367 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.311 12.321 7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.015 12.021 7.480 1.00 0.00 H new ATOM 868 N GLY A 55 -5.854 10.601 6.063 1.00 0.00 N ATOM 869 CA GLY A 55 -4.660 11.377 5.755 1.00 0.00 C ATOM 870 C GLY A 55 -3.752 11.507 6.973 1.00 0.00 C ATOM 871 O GLY A 55 -2.659 12.066 6.884 1.00 0.00 O ATOM 0 H GLY A 55 -6.727 11.126 6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.114 10.900 4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.948 12.369 5.407 1.00 0.00 H new ATOM 875 N ASN A 56 -4.203 10.982 8.114 1.00 0.00 N ATOM 876 CA ASN A 56 -3.416 11.038 9.349 1.00 0.00 C ATOM 877 C ASN A 56 -2.914 9.648 9.730 1.00 0.00 C ATOM 878 O ASN A 56 -1.953 9.514 10.487 1.00 0.00 O ATOM 879 CB ASN A 56 -4.277 11.588 10.489 1.00 0.00 C ATOM 880 CG ASN A 56 -4.655 13.042 10.218 1.00 0.00 C ATOM 881 OD1 ASN A 56 -5.643 13.535 10.763 1.00 0.00 O ATOM 882 ND2 ASN A 56 -3.928 13.763 9.408 1.00 0.00 N ATOM 0 H ASN A 56 -5.105 10.515 8.209 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.561 11.693 9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.179 10.985 10.595 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.733 11.517 11.431 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.178 14.735 9.226 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.110 13.354 8.957 1.00 0.00 H new ATOM 889 N LYS A 57 -3.581 8.618 9.214 1.00 0.00 N ATOM 890 CA LYS A 57 -3.200 7.242 9.522 1.00 0.00 C ATOM 891 C LYS A 57 -1.782 6.956 9.043 1.00 0.00 C ATOM 892 O LYS A 57 -0.940 6.476 9.803 1.00 0.00 O ATOM 893 CB LYS A 57 -4.181 6.274 8.823 1.00 0.00 C ATOM 894 CG LYS A 57 -5.219 5.749 9.829 1.00 0.00 C ATOM 895 CD LYS A 57 -6.273 4.911 9.106 1.00 0.00 C ATOM 896 CE LYS A 57 -7.260 4.341 10.126 1.00 0.00 C ATOM 897 NZ LYS A 57 -8.047 5.453 10.729 1.00 0.00 N ATOM 0 H LYS A 57 -4.380 8.708 8.587 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.239 7.101 10.602 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.685 6.785 8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.631 5.439 8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.725 5.147 10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.696 6.585 10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.802 5.524 8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.794 4.101 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.928 3.628 9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.723 3.798 10.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.894 5.067 11.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.464 5.950 11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.333 6.120 9.984 1.00 0.00 H new ATOM 911 N ASP A 58 -1.535 7.247 7.776 1.00 0.00 N ATOM 912 CA ASP A 58 -0.230 7.018 7.191 1.00 0.00 C ATOM 913 C ASP A 58 0.185 5.550 7.343 1.00 0.00 C ATOM 914 O ASP A 58 1.338 5.256 7.660 1.00 0.00 O ATOM 915 CB ASP A 58 0.809 7.932 7.856 1.00 0.00 C ATOM 916 CG ASP A 58 0.652 9.361 7.346 1.00 0.00 C ATOM 917 OD1 ASP A 58 0.544 9.534 6.143 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.634 10.263 8.169 1.00 0.00 O ATOM 0 H ASP A 58 -2.223 7.642 7.135 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.283 7.250 6.127 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.686 7.908 8.939 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.814 7.569 7.642 1.00 0.00 H new ATOM 923 N HIS A 59 -0.760 4.628 7.126 1.00 0.00 N ATOM 924 CA HIS A 59 -0.469 3.195 7.258 1.00 0.00 C ATOM 925 C HIS A 59 -1.699 2.359 6.879 1.00 0.00 C ATOM 926 O HIS A 59 -2.836 2.799 7.049 1.00 0.00 O ATOM 927 CB HIS A 59 0.006 2.891 8.711 1.00 0.00 C ATOM 928 CG HIS A 59 -1.039 2.142 9.500 1.00 0.00 C ATOM 929 ND1 HIS A 59 -2.139 2.766 10.067 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.149 0.816 9.823 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.858 1.818 10.700 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.297 0.611 10.583 1.00 0.00 N ATOM 0 H HIS A 59 -1.721 4.844 6.861 1.00 0.00 H new ATOM 0 HA HIS A 59 0.332 2.923 6.571 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.924 2.305 8.677 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.243 3.826 9.219 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.450 0.045 9.532 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.775 2.010 11.236 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.637 -0.271 10.968 1.00 0.00 H new ATOM 940 N ILE A 60 -1.456 1.150 6.368 1.00 0.00 N ATOM 941 CA ILE A 60 -2.547 0.253 5.966 1.00 0.00 C ATOM 942 C ILE A 60 -2.150 -1.213 6.146 1.00 0.00 C ATOM 943 O ILE A 60 -1.025 -1.606 5.837 1.00 0.00 O ATOM 944 CB ILE A 60 -2.935 0.507 4.482 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.845 1.336 3.794 1.00 0.00 C ATOM 946 CG2 ILE A 60 -4.260 1.260 4.390 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.103 1.375 2.285 1.00 0.00 C ATOM 0 H ILE A 60 -0.521 0.769 6.223 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.404 0.463 6.607 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.038 -0.459 3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.835 2.349 4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.865 0.904 3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.512 1.427 3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.046 0.672 4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.169 2.220 4.899 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.327 1.965 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.090 0.360 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.076 1.828 2.094 1.00 0.00 H new ATOM 959 N ILE A 61 -3.104 -2.021 6.609 1.00 0.00 N ATOM 960 CA ILE A 61 -2.875 -3.454 6.789 1.00 0.00 C ATOM 961 C ILE A 61 -3.708 -4.233 5.772 1.00 0.00 C ATOM 962 O ILE A 61 -4.920 -4.371 5.934 1.00 0.00 O ATOM 963 CB ILE A 61 -3.292 -3.886 8.195 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.608 -3.000 9.246 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.904 -5.349 8.419 1.00 0.00 C ATOM 966 CD1 ILE A 61 -1.086 -3.017 9.062 1.00 0.00 C ATOM 0 H ILE A 61 -4.040 -1.708 6.866 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.814 -3.658 6.646 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.372 -3.779 8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.978 -1.978 9.163 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.862 -3.351 10.246 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.202 -5.655 9.422 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.408 -5.976 7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.825 -5.460 8.312 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.621 -2.383 9.817 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.718 -4.037 9.169 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.835 -2.643 8.069 1.00 0.00 H new ATOM 978 N LEU A 62 -3.059 -4.741 4.725 1.00 0.00 N ATOM 979 CA LEU A 62 -3.762 -5.507 3.695 1.00 0.00 C ATOM 980 C LEU A 62 -3.714 -6.992 4.036 1.00 0.00 C ATOM 981 O LEU A 62 -2.667 -7.627 3.933 1.00 0.00 O ATOM 982 CB LEU A 62 -3.109 -5.260 2.325 1.00 0.00 C ATOM 983 CG LEU A 62 -3.643 -3.956 1.726 1.00 0.00 C ATOM 984 CD1 LEU A 62 -3.394 -2.804 2.695 1.00 0.00 C ATOM 985 CD2 LEU A 62 -2.931 -3.668 0.403 1.00 0.00 C ATOM 0 H LEU A 62 -2.057 -4.638 4.567 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.802 -5.185 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.026 -5.205 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.321 -6.093 1.655 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.714 -4.056 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.775 -1.878 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.905 -3.004 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.324 -2.706 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.313 -2.739 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.860 -3.573 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.112 -4.487 -0.294 1.00 0.00 H new ATOM 997 N GLU A 63 -4.853 -7.529 4.453 1.00 0.00 N ATOM 998 CA GLU A 63 -4.942 -8.937 4.827 1.00 0.00 C ATOM 999 C GLU A 63 -5.269 -9.805 3.617 1.00 0.00 C ATOM 1000 O GLU A 63 -5.603 -9.298 2.547 1.00 0.00 O ATOM 1001 CB GLU A 63 -6.038 -9.122 5.877 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.738 -8.247 7.096 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.788 -8.481 8.176 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -6.826 -9.578 8.709 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -7.539 -7.562 8.454 1.00 0.00 O ATOM 0 H GLU A 63 -5.728 -7.013 4.541 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.976 -9.242 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.007 -8.855 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.097 -10.169 6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.746 -8.478 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.730 -7.196 6.807 1.00 0.00 H new ATOM 1012 N HIS A 64 -5.190 -11.117 3.817 1.00 0.00 N ATOM 1013 CA HIS A 64 -5.500 -12.084 2.776 1.00 0.00 C ATOM 1014 C HIS A 64 -4.504 -12.035 1.624 1.00 0.00 C ATOM 1015 O HIS A 64 -4.895 -12.040 0.456 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.913 -11.840 2.254 1.00 0.00 C ATOM 1017 CG HIS A 64 -7.836 -11.609 3.419 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -8.306 -10.349 3.751 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -8.363 -12.464 4.354 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -9.076 -10.476 4.846 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -9.145 -11.746 5.255 1.00 0.00 N ATOM 0 H HIS A 64 -4.910 -11.536 4.704 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.431 -13.077 3.219 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.924 -10.977 1.589 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.251 -12.696 1.671 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.197 -13.531 4.386 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -9.577 -9.653 5.334 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.660 -12.111 6.056 1.00 0.00 H new ATOM 1029 N LEU A 65 -3.213 -12.037 1.953 1.00 0.00 N ATOM 1030 CA LEU A 65 -2.168 -12.044 0.930 1.00 0.00 C ATOM 1031 C LEU A 65 -1.669 -13.474 0.802 1.00 0.00 C ATOM 1032 O LEU A 65 -1.956 -14.293 1.667 1.00 0.00 O ATOM 1033 CB LEU A 65 -1.008 -11.119 1.319 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.552 -9.739 1.713 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.389 -8.762 1.912 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.486 -9.209 0.612 1.00 0.00 C ATOM 0 H LEU A 65 -2.867 -12.034 2.913 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.571 -11.682 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.450 -11.551 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.313 -11.021 0.485 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.111 -9.831 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.780 -7.784 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.265 -9.131 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.176 -8.675 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.868 -8.229 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.933 -9.123 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.320 -9.899 0.479 1.00 0.00 H new ATOM 1048 N GLN A 66 -0.946 -13.785 -0.270 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.436 -15.148 -0.477 1.00 0.00 C ATOM 1050 C GLN A 66 1.084 -15.146 -0.552 1.00 0.00 C ATOM 1051 O GLN A 66 1.693 -14.213 -1.061 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.047 -15.730 -1.741 1.00 0.00 C ATOM 1053 CG GLN A 66 -0.467 -17.117 -2.026 1.00 0.00 C ATOM 1054 CD GLN A 66 -1.218 -17.762 -3.187 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -2.399 -17.483 -3.394 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -0.594 -18.604 -3.966 1.00 0.00 N ATOM 0 H GLN A 66 -0.699 -13.123 -1.006 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.722 -15.772 0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.129 -15.797 -1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.853 -15.068 -2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.593 -17.036 -2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.545 -17.744 -1.137 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.385 -18.832 -3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.085 -19.034 -4.750 1.00 0.00 H new ATOM 1065 N TRP A 67 1.674 -16.192 0.008 1.00 0.00 N ATOM 1066 CA TRP A 67 3.131 -16.333 0.080 1.00 0.00 C ATOM 1067 C TRP A 67 3.801 -16.569 -1.281 1.00 0.00 C ATOM 1068 O TRP A 67 4.941 -16.151 -1.483 1.00 0.00 O ATOM 1069 CB TRP A 67 3.478 -17.500 1.002 1.00 0.00 C ATOM 1070 CG TRP A 67 2.869 -17.279 2.353 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.722 -17.851 2.768 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.339 -16.449 3.462 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.456 -17.440 4.062 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.424 -16.578 4.534 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.456 -15.612 3.648 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.610 -15.903 5.743 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.643 -14.931 4.862 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.723 -15.077 5.907 1.00 0.00 C ATOM 0 H TRP A 67 1.162 -16.969 0.426 1.00 0.00 H new ATOM 0 HA TRP A 67 3.512 -15.386 0.463 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.111 -18.434 0.576 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.560 -17.595 1.092 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.109 -18.522 2.185 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.643 -17.738 4.601 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.175 -15.493 2.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.897 -16.020 6.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.503 -14.290 4.990 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.874 -14.551 6.838 1.00 0.00 H new ATOM 1089 N THR A 68 3.131 -17.279 -2.196 1.00 0.00 N ATOM 1090 CA THR A 68 3.738 -17.594 -3.502 1.00 0.00 C ATOM 1091 C THR A 68 3.209 -16.707 -4.622 1.00 0.00 C ATOM 1092 O THR A 68 3.357 -17.032 -5.800 1.00 0.00 O ATOM 1093 CB THR A 68 3.485 -19.063 -3.844 1.00 0.00 C ATOM 1094 OG1 THR A 68 2.098 -19.273 -4.074 1.00 0.00 O ATOM 1095 CG2 THR A 68 3.947 -19.935 -2.676 1.00 0.00 C ATOM 0 H THR A 68 2.187 -17.642 -2.065 1.00 0.00 H new ATOM 0 HA THR A 68 4.808 -17.403 -3.418 1.00 0.00 H new ATOM 0 HB THR A 68 4.039 -19.328 -4.745 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.942 -20.215 -4.294 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.770 -20.984 -2.913 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.011 -19.777 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.390 -19.666 -1.779 1.00 0.00 H new ATOM 1103 N MET A 69 2.604 -15.588 -4.258 1.00 0.00 N ATOM 1104 CA MET A 69 2.069 -14.655 -5.245 1.00 0.00 C ATOM 1105 C MET A 69 2.270 -13.223 -4.764 1.00 0.00 C ATOM 1106 O MET A 69 2.007 -12.903 -3.605 1.00 0.00 O ATOM 1107 CB MET A 69 0.580 -14.943 -5.466 1.00 0.00 C ATOM 1108 CG MET A 69 0.393 -15.994 -6.573 1.00 0.00 C ATOM 1109 SD MET A 69 -1.368 -16.167 -6.949 1.00 0.00 S ATOM 1110 CE MET A 69 -1.632 -14.486 -7.576 1.00 0.00 C ATOM 0 H MET A 69 2.470 -15.301 -3.288 1.00 0.00 H new ATOM 0 HA MET A 69 2.597 -14.781 -6.190 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.131 -15.299 -4.539 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.062 -14.023 -5.738 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.939 -15.696 -7.468 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.803 -16.952 -6.253 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.387 -14.505 -8.362 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.970 -13.843 -6.763 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.697 -14.098 -7.981 1.00 0.00 H new ATOM 1120 N GLY A 70 2.746 -12.364 -5.659 1.00 0.00 N ATOM 1121 CA GLY A 70 2.986 -10.972 -5.311 1.00 0.00 C ATOM 1122 C GLY A 70 1.768 -10.097 -5.572 1.00 0.00 C ATOM 1123 O GLY A 70 0.824 -10.499 -6.252 1.00 0.00 O ATOM 0 H GLY A 70 2.971 -12.607 -6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.261 -10.904 -4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.832 -10.596 -5.886 1.00 0.00 H new ATOM 1127 N TYR A 71 1.814 -8.888 -5.023 1.00 0.00 N ATOM 1128 CA TYR A 71 0.728 -7.923 -5.185 1.00 0.00 C ATOM 1129 C TYR A 71 1.289 -6.511 -5.322 1.00 0.00 C ATOM 1130 O TYR A 71 2.116 -6.086 -4.515 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.192 -7.957 -3.964 1.00 0.00 C ATOM 1132 CG TYR A 71 -0.780 -9.336 -3.782 1.00 0.00 C ATOM 1133 CD1 TYR A 71 -0.028 -10.333 -3.148 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -2.079 -9.616 -4.227 1.00 0.00 C ATOM 1135 CE1 TYR A 71 -0.569 -11.610 -2.962 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -2.622 -10.893 -4.036 1.00 0.00 C ATOM 1137 CZ TYR A 71 -1.868 -11.889 -3.404 1.00 0.00 C ATOM 1138 OH TYR A 71 -2.404 -13.147 -3.213 1.00 0.00 O ATOM 0 H TYR A 71 2.594 -8.550 -4.459 1.00 0.00 H new ATOM 0 HA TYR A 71 0.170 -8.189 -6.083 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.367 -7.673 -3.072 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.992 -7.227 -4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.972 -10.116 -2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.660 -8.849 -4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 71 0.015 -12.379 -2.478 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.624 -11.110 -4.377 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.314 -13.174 -3.576 1.00 0.00 H new ATOM 1148 N GLU A 72 0.816 -5.772 -6.323 1.00 0.00 N ATOM 1149 CA GLU A 72 1.268 -4.395 -6.522 1.00 0.00 C ATOM 1150 C GLU A 72 0.383 -3.455 -5.704 1.00 0.00 C ATOM 1151 O GLU A 72 -0.782 -3.760 -5.457 1.00 0.00 O ATOM 1152 CB GLU A 72 1.198 -4.014 -8.020 1.00 0.00 C ATOM 1153 CG GLU A 72 1.301 -5.276 -8.882 1.00 0.00 C ATOM 1154 CD GLU A 72 1.717 -4.918 -10.308 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.970 -3.751 -10.558 1.00 0.00 O ATOM 1156 OE2 GLU A 72 1.778 -5.818 -11.128 1.00 0.00 O ATOM 0 H GLU A 72 0.128 -6.097 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 72 2.303 -4.306 -6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.263 -3.495 -8.229 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.007 -3.326 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.027 -5.963 -8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.342 -5.793 -8.896 1.00 0.00 H new ATOM 1163 N VAL A 73 0.934 -2.318 -5.282 1.00 0.00 N ATOM 1164 CA VAL A 73 0.169 -1.344 -4.492 1.00 0.00 C ATOM 1165 C VAL A 73 0.366 0.057 -5.056 1.00 0.00 C ATOM 1166 O VAL A 73 1.492 0.472 -5.318 1.00 0.00 O ATOM 1167 CB VAL A 73 0.621 -1.385 -3.029 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.457 -0.761 -2.122 1.00 0.00 C ATOM 1169 CG2 VAL A 73 0.860 -2.842 -2.624 1.00 0.00 C ATOM 0 H VAL A 73 1.899 -2.046 -5.470 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.889 -1.601 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 73 1.543 -0.814 -2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.124 -0.796 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.624 0.276 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.387 -1.321 -2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.182 -2.882 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.064 -3.408 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.632 -3.274 -3.260 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.733 0.784 -5.249 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.669 2.144 -5.792 1.00 0.00 C ATOM 1181 C GLN A 74 -1.352 3.121 -4.852 1.00 0.00 C ATOM 1182 O GLN A 74 -2.572 3.131 -4.709 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.323 2.175 -7.171 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.464 3.618 -7.707 1.00 0.00 C ATOM 1185 CD GLN A 74 -0.310 4.521 -7.277 1.00 0.00 C ATOM 1186 OE1 GLN A 74 0.851 4.147 -7.389 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -0.565 5.712 -6.815 1.00 0.00 N ATOM 0 H GLN A 74 -1.676 0.458 -5.039 1.00 0.00 H new ATOM 0 HA GLN A 74 0.375 2.443 -5.890 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.729 1.585 -7.868 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.307 1.709 -7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.515 3.594 -8.796 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.404 4.043 -7.353 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.531 6.026 -6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.201 6.330 -6.548 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.527 3.925 -4.202 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.989 4.912 -3.238 1.00 0.00 C ATOM 1198 C ILE A 75 -1.266 6.246 -3.911 1.00 0.00 C ATOM 1199 O ILE A 75 -0.451 6.742 -4.670 1.00 0.00 O ATOM 1200 CB ILE A 75 0.104 5.081 -2.159 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.060 4.029 -1.057 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.062 6.481 -1.534 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.340 2.651 -1.590 1.00 0.00 C ATOM 0 H ILE A 75 0.485 3.912 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.921 4.570 -2.788 1.00 0.00 H new ATOM 0 HB ILE A 75 1.068 4.947 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.558 4.290 -0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.094 4.009 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.844 6.566 -0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.223 7.230 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.910 6.643 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.221 1.908 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.297 2.389 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.381 2.674 -1.913 1.00 0.00 H new ATOM 1215 N THR A 76 -2.402 6.845 -3.582 1.00 0.00 N ATOM 1216 CA THR A 76 -2.748 8.163 -4.121 1.00 0.00 C ATOM 1217 C THR A 76 -3.263 9.042 -2.991 1.00 0.00 C ATOM 1218 O THR A 76 -4.244 8.713 -2.335 1.00 0.00 O ATOM 1219 CB THR A 76 -3.791 8.045 -5.246 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.606 6.818 -5.936 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.629 9.214 -6.232 1.00 0.00 C ATOM 0 H THR A 76 -3.098 6.448 -2.951 1.00 0.00 H new ATOM 0 HA THR A 76 -1.857 8.618 -4.554 1.00 0.00 H new ATOM 0 HB THR A 76 -4.791 8.075 -4.813 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.271 6.742 -6.652 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.370 9.125 -7.026 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.773 10.157 -5.705 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.629 9.189 -6.664 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.583 10.160 -2.762 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.971 11.080 -1.699 1.00 0.00 C ATOM 1231 C ALA A 77 -3.913 12.133 -2.282 1.00 0.00 C ATOM 1232 O ALA A 77 -3.596 12.758 -3.291 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.701 11.729 -1.113 1.00 0.00 C ATOM 0 H ALA A 77 -1.764 10.450 -3.296 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.490 10.554 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.979 12.419 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.049 10.954 -0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.175 12.273 -1.898 1.00 0.00 H new ATOM 1239 N ALA A 78 -5.080 12.308 -1.665 1.00 0.00 N ATOM 1240 CA ALA A 78 -6.064 13.270 -2.167 1.00 0.00 C ATOM 1241 C ALA A 78 -6.106 14.530 -1.318 1.00 0.00 C ATOM 1242 O ALA A 78 -6.633 14.528 -0.205 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.447 12.617 -2.191 1.00 0.00 C ATOM 0 H ALA A 78 -5.367 11.804 -0.826 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.768 13.560 -3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.180 13.332 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.426 11.744 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.722 12.309 -1.182 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.570 15.619 -1.874 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.560 16.916 -1.195 1.00 0.00 C ATOM 1251 C ASN A 79 -6.411 17.898 -1.991 1.00 0.00 C ATOM 1252 O ASN A 79 -7.100 17.515 -2.937 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.107 17.451 -1.056 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.170 16.714 -2.010 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -2.045 16.380 -1.634 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -3.561 16.447 -3.225 1.00 0.00 N ATOM 0 H ASN A 79 -5.136 15.627 -2.797 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.973 16.801 -0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.085 18.520 -1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.763 17.324 -0.029 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.935 15.960 -3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.493 16.725 -3.534 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.346 19.166 -1.612 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.104 20.200 -2.308 1.00 0.00 C ATOM 1265 C ARG A 80 -6.985 20.000 -3.821 1.00 0.00 C ATOM 1266 O ARG A 80 -7.911 20.299 -4.574 1.00 0.00 O ATOM 1267 CB ARG A 80 -6.571 21.585 -1.928 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.416 22.673 -2.598 1.00 0.00 C ATOM 1269 CD ARG A 80 -6.863 24.048 -2.219 1.00 0.00 C ATOM 1270 NE ARG A 80 -7.644 25.102 -2.862 1.00 0.00 N ATOM 1271 CZ ARG A 80 -7.377 25.498 -4.102 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -6.407 24.936 -4.770 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -8.082 26.451 -4.649 1.00 0.00 N ATOM 0 H ARG A 80 -5.781 19.504 -0.833 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.152 20.128 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.596 21.709 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.530 21.680 -2.236 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.399 22.547 -3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.456 22.587 -2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.891 24.173 -1.137 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.819 24.124 -2.521 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.408 25.542 -2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.855 24.194 -4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.201 25.239 -5.722 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.838 26.892 -4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.877 26.755 -5.601 1.00 0.00 H new ATOM 1287 N LEU A 81 -5.832 19.489 -4.244 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.581 19.239 -5.659 1.00 0.00 C ATOM 1289 C LEU A 81 -6.549 18.173 -6.172 1.00 0.00 C ATOM 1290 O LEU A 81 -7.081 18.274 -7.277 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.136 18.746 -5.858 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.142 19.921 -5.818 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.344 20.856 -7.028 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.323 20.702 -4.511 1.00 0.00 C ATOM 0 H LEU A 81 -5.058 19.240 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.727 20.166 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.884 18.025 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.053 18.227 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.129 19.522 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.630 21.678 -6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.187 20.297 -7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.358 21.255 -7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.619 21.534 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.341 21.087 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.138 20.042 -3.664 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.753 17.145 -5.347 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.636 16.027 -5.684 1.00 0.00 C ATOM 1308 C GLY A 82 -6.865 14.717 -5.599 1.00 0.00 C ATOM 1309 O GLY A 82 -7.306 13.760 -4.965 1.00 0.00 O ATOM 0 H GLY A 82 -6.313 17.064 -4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.486 16.004 -5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.037 16.159 -6.689 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.702 14.705 -6.230 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.831 13.539 -6.222 1.00 0.00 C ATOM 1315 C TYR A 83 -3.409 13.996 -6.492 1.00 0.00 C ATOM 1316 O TYR A 83 -3.148 14.673 -7.485 1.00 0.00 O ATOM 1317 CB TYR A 83 -5.254 12.530 -7.285 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.756 12.392 -7.285 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.532 13.280 -8.037 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -7.371 11.382 -6.538 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.924 13.158 -8.046 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.767 11.259 -6.546 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.543 12.147 -7.301 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.918 12.023 -7.309 1.00 0.00 O ATOM 0 H TYR A 83 -5.336 15.497 -6.759 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.899 13.052 -5.249 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.909 12.855 -8.267 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.790 11.563 -7.088 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.055 14.061 -8.611 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.771 10.698 -5.956 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.522 13.844 -8.628 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.244 10.480 -5.970 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.182 11.270 -6.740 1.00 0.00 H new ATOM 1334 N SER A 84 -2.491 13.637 -5.613 1.00 0.00 N ATOM 1335 CA SER A 84 -1.108 14.044 -5.791 1.00 0.00 C ATOM 1336 C SER A 84 -0.185 13.165 -4.979 1.00 0.00 C ATOM 1337 O SER A 84 -0.628 12.391 -4.130 1.00 0.00 O ATOM 1338 CB SER A 84 -0.930 15.491 -5.337 1.00 0.00 C ATOM 1339 OG SER A 84 0.344 15.965 -5.751 1.00 0.00 O ATOM 0 H SER A 84 -2.672 13.074 -4.782 1.00 0.00 H new ATOM 0 HA SER A 84 -0.860 13.949 -6.848 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.717 16.115 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.019 15.557 -4.253 1.00 0.00 H new ATOM 0 HG SER A 84 0.343 16.945 -5.756 1.00 0.00 H new ATOM 1345 N GLU A 85 1.102 13.306 -5.227 1.00 0.00 N ATOM 1346 CA GLU A 85 2.075 12.537 -4.489 1.00 0.00 C ATOM 1347 C GLU A 85 1.737 11.056 -4.528 1.00 0.00 C ATOM 1348 O GLU A 85 1.719 10.392 -3.491 1.00 0.00 O ATOM 1349 CB GLU A 85 2.074 13.027 -3.041 1.00 0.00 C ATOM 1350 CG GLU A 85 2.204 14.544 -3.019 1.00 0.00 C ATOM 1351 CD GLU A 85 3.493 14.953 -3.696 1.00 0.00 C ATOM 1352 OE1 GLU A 85 4.403 14.139 -3.718 1.00 0.00 O ATOM 1353 OE2 GLU A 85 3.556 16.069 -4.183 1.00 0.00 O ATOM 0 H GLU A 85 1.492 13.939 -5.926 1.00 0.00 H new ATOM 0 HA GLU A 85 3.059 12.670 -4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.153 12.723 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.898 12.573 -2.491 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.354 14.999 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.191 14.905 -1.991 1.00 0.00 H new ATOM 1360 N PRO A 86 1.474 10.522 -5.691 1.00 0.00 N ATOM 1361 CA PRO A 86 1.137 9.083 -5.840 1.00 0.00 C ATOM 1362 C PRO A 86 2.365 8.202 -5.608 1.00 0.00 C ATOM 1363 O PRO A 86 3.494 8.633 -5.838 1.00 0.00 O ATOM 1364 CB PRO A 86 0.642 8.976 -7.285 1.00 0.00 C ATOM 1365 CG PRO A 86 1.368 10.067 -7.999 1.00 0.00 C ATOM 1366 CD PRO A 86 1.473 11.214 -6.992 1.00 0.00 C ATOM 0 HA PRO A 86 0.396 8.745 -5.115 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.869 8.000 -7.713 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.438 9.108 -7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.355 9.736 -8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.828 10.378 -8.893 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.383 11.796 -7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.634 11.905 -7.080 1.00 0.00 H new ATOM 1374 N THR A 87 2.143 6.970 -5.155 1.00 0.00 N ATOM 1375 CA THR A 87 3.242 6.042 -4.906 1.00 0.00 C ATOM 1376 C THR A 87 2.930 4.681 -5.502 1.00 0.00 C ATOM 1377 O THR A 87 2.040 3.972 -5.038 1.00 0.00 O ATOM 1378 CB THR A 87 3.495 5.906 -3.387 1.00 0.00 C ATOM 1379 OG1 THR A 87 2.690 6.840 -2.695 1.00 0.00 O ATOM 1380 CG2 THR A 87 4.947 6.192 -3.059 1.00 0.00 C ATOM 0 H THR A 87 1.217 6.593 -4.954 1.00 0.00 H new ATOM 0 HA THR A 87 4.141 6.436 -5.380 1.00 0.00 H new ATOM 0 HB THR A 87 3.251 4.887 -3.086 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.846 6.756 -1.731 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.104 6.091 -1.985 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.586 5.484 -3.587 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.197 7.207 -3.368 1.00 0.00 H new ATOM 1388 N VAL A 88 3.698 4.308 -6.508 1.00 0.00 N ATOM 1389 CA VAL A 88 3.529 3.009 -7.139 1.00 0.00 C ATOM 1390 C VAL A 88 4.522 2.040 -6.511 1.00 0.00 C ATOM 1391 O VAL A 88 5.679 1.965 -6.925 1.00 0.00 O ATOM 1392 CB VAL A 88 3.793 3.114 -8.646 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.578 1.748 -9.304 1.00 0.00 C ATOM 1394 CG2 VAL A 88 2.838 4.139 -9.272 1.00 0.00 C ATOM 0 H VAL A 88 4.442 4.881 -6.906 1.00 0.00 H new ATOM 0 HA VAL A 88 2.509 2.656 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 88 4.822 3.436 -8.806 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.766 1.826 -10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.263 1.022 -8.867 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.551 1.422 -9.139 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.030 4.209 -10.343 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.808 3.824 -9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.997 5.114 -8.810 1.00 0.00 H new ATOM 1404 N TYR A 89 4.070 1.312 -5.493 1.00 0.00 N ATOM 1405 CA TYR A 89 4.931 0.361 -4.788 1.00 0.00 C ATOM 1406 C TYR A 89 4.639 -1.061 -5.255 1.00 0.00 C ATOM 1407 O TYR A 89 3.497 -1.397 -5.563 1.00 0.00 O ATOM 1408 CB TYR A 89 4.699 0.470 -3.275 1.00 0.00 C ATOM 1409 CG TYR A 89 5.614 -0.485 -2.528 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.005 -0.359 -2.642 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.070 -1.491 -1.711 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.848 -1.235 -1.947 1.00 0.00 C ATOM 1413 CE2 TYR A 89 5.915 -2.363 -1.017 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.305 -2.236 -1.136 1.00 0.00 C ATOM 1415 OH TYR A 89 8.138 -3.094 -0.449 1.00 0.00 O ATOM 0 H TYR A 89 3.115 1.361 -5.137 1.00 0.00 H new ATOM 0 HA TYR A 89 5.972 0.598 -5.009 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.883 1.493 -2.945 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.658 0.243 -3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.427 0.414 -3.266 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.999 -1.591 -1.619 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.920 -1.137 -2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.496 -3.135 -0.389 1.00 0.00 H new ATOM 0 HH TYR A 89 7.599 -3.729 0.068 1.00 0.00 H new ATOM 1425 N GLU A 90 5.678 -1.892 -5.309 1.00 0.00 N ATOM 1426 CA GLU A 90 5.529 -3.282 -5.741 1.00 0.00 C ATOM 1427 C GLU A 90 6.425 -4.183 -4.902 1.00 0.00 C ATOM 1428 O GLU A 90 7.569 -3.834 -4.612 1.00 0.00 O ATOM 1429 CB GLU A 90 5.911 -3.408 -7.218 1.00 0.00 C ATOM 1430 CG GLU A 90 7.180 -2.591 -7.474 1.00 0.00 C ATOM 1431 CD GLU A 90 7.676 -2.811 -8.900 1.00 0.00 C ATOM 1432 OE1 GLU A 90 8.459 -3.724 -9.098 1.00 0.00 O ATOM 1433 OE2 GLU A 90 7.272 -2.058 -9.769 1.00 0.00 O ATOM 0 H GLU A 90 6.631 -1.628 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 90 4.491 -3.587 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.078 -4.454 -7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.098 -3.049 -7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.977 -1.532 -7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.955 -2.879 -6.764 1.00 0.00 H new ATOM 1440 N PHE A 91 5.904 -5.338 -4.511 1.00 0.00 N ATOM 1441 CA PHE A 91 6.691 -6.267 -3.700 1.00 0.00 C ATOM 1442 C PHE A 91 6.064 -7.654 -3.690 1.00 0.00 C ATOM 1443 O PHE A 91 4.882 -7.811 -3.386 1.00 0.00 O ATOM 1444 CB PHE A 91 6.816 -5.729 -2.268 1.00 0.00 C ATOM 1445 CG PHE A 91 5.526 -5.952 -1.505 1.00 0.00 C ATOM 1446 CD1 PHE A 91 4.420 -5.126 -1.733 1.00 0.00 C ATOM 1447 CD2 PHE A 91 5.445 -6.988 -0.564 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.234 -5.337 -1.020 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.259 -7.196 0.148 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.153 -6.372 -0.081 1.00 0.00 C ATOM 0 H PHE A 91 4.960 -5.653 -4.734 1.00 0.00 H new ATOM 0 HA PHE A 91 7.684 -6.352 -4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.639 -6.227 -1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.053 -4.665 -2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.481 -4.327 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.299 -7.626 -0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.380 -4.700 -1.195 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.198 -7.993 0.874 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.236 -6.534 0.466 1.00 0.00 H new ATOM 1460 N SER A 92 6.866 -8.662 -4.017 1.00 0.00 N ATOM 1461 CA SER A 92 6.377 -10.032 -4.026 1.00 0.00 C ATOM 1462 C SER A 92 6.432 -10.628 -2.627 1.00 0.00 C ATOM 1463 O SER A 92 7.349 -10.349 -1.854 1.00 0.00 O ATOM 1464 CB SER A 92 7.188 -10.879 -5.006 1.00 0.00 C ATOM 1465 OG SER A 92 8.571 -10.590 -4.852 1.00 0.00 O ATOM 0 H SER A 92 7.847 -8.556 -4.276 1.00 0.00 H new ATOM 0 HA SER A 92 5.337 -10.027 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.005 -11.938 -4.825 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.874 -10.671 -6.029 1.00 0.00 H new ATOM 0 HG SER A 92 9.091 -11.135 -5.479 1.00 0.00 H new ATOM 1471 N MET A 93 5.432 -11.436 -2.307 1.00 0.00 N ATOM 1472 CA MET A 93 5.352 -12.056 -0.995 1.00 0.00 C ATOM 1473 C MET A 93 6.374 -13.195 -0.857 1.00 0.00 C ATOM 1474 O MET A 93 6.570 -13.967 -1.795 1.00 0.00 O ATOM 1475 CB MET A 93 3.951 -12.620 -0.796 1.00 0.00 C ATOM 1476 CG MET A 93 2.931 -11.480 -0.784 1.00 0.00 C ATOM 1477 SD MET A 93 3.137 -10.486 0.717 1.00 0.00 S ATOM 1478 CE MET A 93 2.551 -11.710 1.918 1.00 0.00 C ATOM 0 H MET A 93 4.667 -11.677 -2.937 1.00 0.00 H new ATOM 0 HA MET A 93 5.572 -11.300 -0.242 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.715 -13.323 -1.595 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.902 -13.174 0.141 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.062 -10.854 -1.666 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.920 -11.884 -0.827 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.278 -11.207 2.846 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.680 -12.227 1.515 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.342 -12.433 2.116 1.00 0.00 H new ATOM 1488 N PRO A 94 7.013 -13.337 0.287 1.00 0.00 N ATOM 1489 CA PRO A 94 8.011 -14.430 0.516 1.00 0.00 C ATOM 1490 C PRO A 94 7.332 -15.797 0.621 1.00 0.00 C ATOM 1491 O PRO A 94 6.120 -15.874 0.792 1.00 0.00 O ATOM 1492 CB PRO A 94 8.677 -14.025 1.844 1.00 0.00 C ATOM 1493 CG PRO A 94 7.646 -13.221 2.564 1.00 0.00 C ATOM 1494 CD PRO A 94 6.857 -12.484 1.484 1.00 0.00 C ATOM 0 HA PRO A 94 8.724 -14.534 -0.302 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.969 -14.901 2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.582 -13.442 1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.993 -13.863 3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.112 -12.518 3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.809 -12.372 1.761 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.251 -11.482 1.315 1.00 0.00 H new ATOM 1502 N PRO A 95 8.082 -16.865 0.516 1.00 0.00 N ATOM 1503 CA PRO A 95 7.524 -18.251 0.615 1.00 0.00 C ATOM 1504 C PRO A 95 6.979 -18.544 2.014 1.00 0.00 C ATOM 1505 O PRO A 95 7.423 -17.957 3.001 1.00 0.00 O ATOM 1506 CB PRO A 95 8.726 -19.151 0.270 1.00 0.00 C ATOM 1507 CG PRO A 95 9.932 -18.322 0.580 1.00 0.00 C ATOM 1508 CD PRO A 95 9.537 -16.878 0.276 1.00 0.00 C ATOM 0 HA PRO A 95 6.675 -18.411 -0.050 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.715 -20.068 0.860 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.709 -19.447 -0.779 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.226 -18.435 1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.784 -18.630 -0.026 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.058 -16.174 0.925 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.778 -16.603 -0.751 1.00 0.00 H new ATOM 1516 N LYS A 96 6.002 -19.447 2.086 1.00 0.00 N ATOM 1517 CA LYS A 96 5.384 -19.803 3.362 1.00 0.00 C ATOM 1518 C LYS A 96 6.436 -19.892 4.475 1.00 0.00 C ATOM 1519 O LYS A 96 7.447 -20.578 4.313 1.00 0.00 O ATOM 1520 CB LYS A 96 4.675 -21.159 3.234 1.00 0.00 C ATOM 1521 CG LYS A 96 3.924 -21.516 4.543 1.00 0.00 C ATOM 1522 CD LYS A 96 2.516 -20.890 4.542 1.00 0.00 C ATOM 1523 CE LYS A 96 1.532 -21.797 3.789 1.00 0.00 C ATOM 1524 NZ LYS A 96 1.184 -22.968 4.644 1.00 0.00 N ATOM 0 H LYS A 96 5.623 -19.943 1.280 1.00 0.00 H new ATOM 0 HA LYS A 96 4.664 -19.026 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.971 -21.129 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.405 -21.936 3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.847 -22.599 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.488 -21.156 5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.175 -20.743 5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.548 -19.907 4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.631 -21.240 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.976 -22.135 2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.304 -23.402 4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.953 -23.667 4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.051 -22.653 5.626 1.00 0.00 H new ATOM 1538 N PRO A 97 6.228 -19.249 5.606 1.00 0.00 N ATOM 1539 CA PRO A 97 7.199 -19.320 6.730 1.00 0.00 C ATOM 1540 C PRO A 97 7.155 -20.669 7.449 1.00 0.00 C ATOM 1541 O PRO A 97 6.102 -21.301 7.545 1.00 0.00 O ATOM 1542 CB PRO A 97 6.751 -18.188 7.660 1.00 0.00 C ATOM 1543 CG PRO A 97 5.284 -18.060 7.426 1.00 0.00 C ATOM 1544 CD PRO A 97 5.067 -18.390 5.948 1.00 0.00 C ATOM 0 HA PRO A 97 8.230 -19.219 6.390 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.966 -18.424 8.702 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.271 -17.258 7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.725 -18.743 8.065 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.938 -17.053 7.657 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.123 -18.911 5.788 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.042 -17.489 5.336 1.00 0.00 H new ATOM 1552 N ASN A 98 8.304 -21.086 7.982 1.00 0.00 N ATOM 1553 CA ASN A 98 8.404 -22.341 8.730 1.00 0.00 C ATOM 1554 C ASN A 98 9.001 -22.057 10.105 1.00 0.00 C ATOM 1555 O ASN A 98 8.611 -22.656 11.106 1.00 0.00 O ATOM 1556 CB ASN A 98 9.290 -23.345 7.978 1.00 0.00 C ATOM 1557 CG ASN A 98 9.025 -24.758 8.489 1.00 0.00 C ATOM 1558 OD1 ASN A 98 8.741 -25.661 7.701 1.00 0.00 O ATOM 1559 ND2 ASN A 98 9.100 -25.005 9.767 1.00 0.00 N ATOM 0 H ASN A 98 9.182 -20.571 7.909 1.00 0.00 H new ATOM 0 HA ASN A 98 7.409 -22.772 8.840 1.00 0.00 H new ATOM 0 HB2 ASN A 98 9.087 -23.292 6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 98 10.341 -23.090 8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.923 -25.947 10.116 1.00 0.00 H new ATOM 0 HD22 ASN A 98 9.335 -24.256 10.418 1.00 0.00 H new ATOM 1566 N ILE A 99 9.942 -21.113 10.135 1.00 0.00 N ATOM 1567 CA ILE A 99 10.600 -20.703 11.377 1.00 0.00 C ATOM 1568 C ILE A 99 10.102 -19.321 11.784 1.00 0.00 C ATOM 1569 O ILE A 99 10.572 -18.736 12.758 1.00 0.00 O ATOM 1570 CB ILE A 99 12.113 -20.652 11.173 1.00 0.00 C ATOM 1571 CG1 ILE A 99 12.427 -19.794 9.944 1.00 0.00 C ATOM 1572 CG2 ILE A 99 12.654 -22.068 10.966 1.00 0.00 C ATOM 1573 CD1 ILE A 99 13.936 -19.562 9.856 1.00 0.00 C ATOM 0 H ILE A 99 10.268 -20.614 9.307 1.00 0.00 H new ATOM 0 HA ILE A 99 10.365 -21.425 12.159 1.00 0.00 H new ATOM 0 HB ILE A 99 12.586 -20.216 12.053 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.071 -20.290 9.041 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.905 -18.840 10.011 1.00 0.00 H new ATOM 0 HG21 ILE A 99 13.734 -22.027 10.821 1.00 0.00 H new ATOM 0 HG22 ILE A 99 12.428 -22.675 11.842 1.00 0.00 H new ATOM 0 HG23 ILE A 99 12.186 -22.511 10.087 1.00 0.00 H new ATOM 0 HD11 ILE A 99 14.160 -18.951 8.981 1.00 0.00 H new ATOM 0 HD12 ILE A 99 14.278 -19.048 10.754 1.00 0.00 H new ATOM 0 HD13 ILE A 99 14.447 -20.521 9.769 1.00 0.00 H new ATOM 1585 N ILE A 100 9.154 -18.812 11.006 1.00 0.00 N ATOM 1586 CA ILE A 100 8.569 -17.496 11.239 1.00 0.00 C ATOM 1587 C ILE A 100 9.627 -16.461 11.596 1.00 0.00 C ATOM 1588 O ILE A 100 9.449 -15.647 12.501 1.00 0.00 O ATOM 1589 CB ILE A 100 7.501 -17.556 12.325 1.00 0.00 C ATOM 1590 CG1 ILE A 100 8.087 -18.019 13.668 1.00 0.00 C ATOM 1591 CG2 ILE A 100 6.422 -18.542 11.882 1.00 0.00 C ATOM 1592 CD1 ILE A 100 7.048 -17.798 14.769 1.00 0.00 C ATOM 0 H ILE A 100 8.769 -19.299 10.197 1.00 0.00 H new ATOM 0 HA ILE A 100 8.100 -17.186 10.305 1.00 0.00 H new ATOM 0 HB ILE A 100 7.088 -16.557 12.466 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.361 -19.073 13.616 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.997 -17.463 13.893 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.647 -18.600 12.646 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.982 -18.203 10.944 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.866 -19.527 11.740 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.456 -18.124 15.725 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.796 -16.739 14.824 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.150 -18.373 14.543 1.00 0.00 H new ATOM 1604 N LYS A 101 10.715 -16.495 10.858 1.00 0.00 N ATOM 1605 CA LYS A 101 11.810 -15.555 11.066 1.00 0.00 C ATOM 1606 C LYS A 101 11.391 -14.148 10.650 1.00 0.00 C ATOM 1607 O LYS A 101 11.175 -13.275 11.492 1.00 0.00 O ATOM 1608 CB LYS A 101 13.032 -15.987 10.259 1.00 0.00 C ATOM 1609 CG LYS A 101 14.195 -15.037 10.547 1.00 0.00 C ATOM 1610 CD LYS A 101 15.447 -15.551 9.845 1.00 0.00 C ATOM 1611 CE LYS A 101 16.618 -14.601 10.111 1.00 0.00 C ATOM 1612 NZ LYS A 101 17.124 -14.812 11.497 1.00 0.00 N ATOM 0 H LYS A 101 10.871 -17.164 10.104 1.00 0.00 H new ATOM 0 HA LYS A 101 12.063 -15.549 12.126 1.00 0.00 H new ATOM 0 HB2 LYS A 101 13.310 -17.008 10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.799 -15.981 9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.955 -14.032 10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.368 -14.969 11.621 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.690 -16.552 10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.267 -15.630 8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.416 -14.779 9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 101 16.298 -13.567 9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.009 -14.282 11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.415 -14.477 12.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 17.302 -15.825 11.651 1.00 0.00 H new ATOM 1626 N ASP A 102 11.290 -13.937 9.342 1.00 0.00 N ATOM 1627 CA ASP A 102 10.913 -12.639 8.803 1.00 0.00 C ATOM 1628 C ASP A 102 10.337 -12.794 7.396 1.00 0.00 C ATOM 1629 O ASP A 102 10.887 -13.576 6.639 1.00 0.00 O ATOM 1630 CB ASP A 102 12.147 -11.744 8.757 1.00 0.00 C ATOM 1631 CG ASP A 102 13.137 -12.272 7.725 1.00 0.00 C ATOM 1632 OD1 ASP A 102 13.274 -13.481 7.630 1.00 0.00 O ATOM 1633 OD2 ASP A 102 13.747 -11.461 7.045 1.00 0.00 O ATOM 0 H ASP A 102 11.465 -14.651 8.635 1.00 0.00 H new ATOM 0 HA ASP A 102 10.152 -12.191 9.442 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.857 -10.724 8.506 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.618 -11.709 9.740 1.00 0.00 H new TER 1638 ASP A 102