USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 812 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 36 HIS : no HE2:sc= 0.603 K(o=0.6,f=-1.9!) USER MOD Set 1.2: A 66 GLN : amide:sc= 0 X(o=0.6,f=0.52) USER MOD Set 2.1: A 20 ASN : amide:sc= -0.664 K(o=-0.84,f=-5.7!) USER MOD Set 2.2: A 30 MET CE :methyl 144:sc= -0.174 (180deg=-0.361) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 6 ASN : amide:sc= -5.89! C(o=-5.9!,f=-9.1!) USER MOD Set 3.3: A 48 MET CE :methyl -123:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 174:sc= 0.00463 USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= -0.534 (180deg=-1.06) USER MOD Single : A 13 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.43) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00595) USER MOD Single : A 18 HIS : no HD1:sc= -0.491 K(o=-0.49,f=-1.1!) USER MOD Single : A 21 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.085) USER MOD Single : A 22 HIS : no HD1:sc= -0.0257 X(o=-0.026,f=-0.15) USER MOD Single : A 24 GLN : amide:sc= -0.955 X(o=-0.96,f=-0.91) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.537 K(o=-0.54,f=-4.5!) USER MOD Single : A 31 ASN : amide:sc= -3.21! K(o=-3.2!,f=-0.43) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-5.6!) USER MOD Single : A 38 GLN : amide:sc= -1.23! K(o=-1.2!,f=0) USER MOD Single : A 39 ASN : amide:sc= -1.31! K(o=-1.3!,f=-0.29) USER MOD Single : A 45 HIS : no HE2:sc= -0.272 K(o=-0.27,f=-2.9!) USER MOD Single : A 49 GLN : amide:sc= -2.92! K(o=-2.9!,f=-0.14) USER MOD Single : A 53 SER OG : rot 180:sc= 0.00612 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.55) USER MOD Single : A 60 MET CE :methyl 143:sc= -2.55 (180deg=-6.18!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.51) USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= -0.608 (180deg=-1.12!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -11.9! C(o=-12!,f=-7.5!) USER MOD Single : A 76 GLN : amide:sc= -0.0424 K(o=-0.042,f=-1.1!) USER MOD Single : A 80 ASN : amide:sc=-0.00148 X(o=-0.0015,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.0225 X(o=-0.023,f=-0.2) USER MOD Single : A 84 ASN : amide:sc= -4.92! C(o=-4.9!,f=-6.6!) USER MOD Single : A 86 HIS : no HE2:sc= -3.42! C(o=-3.4!,f=-5.5!) USER MOD Single : A 88 ASN : amide:sc= -0.0271 K(o=-0.027,f=-2.1!) USER MOD Single : A 90 LYS NZ :NH3+ 145:sc= -0.227 (180deg=-0.969) USER MOD Single : A 94 HIS : no HD1:sc= -0.718 X(o=-0.72,f=-0.24) USER MOD Single : A 95 HIS : no HD1:sc= -0.94 K(o=-0.94,f=-3.6!) USER MOD Single : A 101 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.127 -18.900 -12.939 1.00 0.00 N ATOM 2 CA MET A 1 3.920 -17.800 -11.955 1.00 0.00 C ATOM 3 C MET A 1 2.828 -16.858 -12.467 1.00 0.00 C ATOM 4 O MET A 1 2.924 -16.313 -13.547 1.00 0.00 O ATOM 5 CB MET A 1 5.225 -17.021 -11.779 1.00 0.00 C ATOM 6 CG MET A 1 5.035 -15.931 -10.722 1.00 0.00 C ATOM 7 SD MET A 1 6.310 -16.096 -9.449 1.00 0.00 S ATOM 8 CE MET A 1 7.520 -14.974 -10.192 1.00 0.00 C ATOM 0 H1 MET A 1 4.869 -19.541 -12.592 1.00 0.00 H new ATOM 0 H2 MET A 1 3.240 -19.430 -13.059 1.00 0.00 H new ATOM 0 H3 MET A 1 4.417 -18.498 -13.853 1.00 0.00 H new ATOM 0 HA MET A 1 3.617 -18.221 -10.996 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.026 -17.697 -11.479 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.524 -16.574 -12.727 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.094 -14.946 -11.185 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.045 -16.013 -10.273 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.406 -14.924 -9.559 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.800 -15.342 -11.179 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.084 -13.979 -10.286 1.00 0.00 H new ATOM 20 N TYR A 2 1.790 -16.665 -11.700 1.00 0.00 N ATOM 21 CA TYR A 2 0.693 -15.759 -12.143 1.00 0.00 C ATOM 22 C TYR A 2 1.291 -14.462 -12.694 1.00 0.00 C ATOM 23 O TYR A 2 1.364 -14.259 -13.889 1.00 0.00 O ATOM 24 CB TYR A 2 -0.217 -15.441 -10.955 1.00 0.00 C ATOM 25 CG TYR A 2 0.301 -16.145 -9.723 1.00 0.00 C ATOM 26 CD1 TYR A 2 1.440 -15.661 -9.071 1.00 0.00 C ATOM 27 CD2 TYR A 2 -0.357 -17.281 -9.236 1.00 0.00 C ATOM 28 CE1 TYR A 2 1.922 -16.313 -7.930 1.00 0.00 C ATOM 29 CE2 TYR A 2 0.126 -17.933 -8.095 1.00 0.00 C ATOM 30 CZ TYR A 2 1.266 -17.449 -7.441 1.00 0.00 C ATOM 31 OH TYR A 2 1.740 -18.092 -6.316 1.00 0.00 O ATOM 0 H TYR A 2 1.654 -17.096 -10.785 1.00 0.00 H new ATOM 0 HA TYR A 2 0.111 -16.248 -12.924 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.249 -14.365 -10.786 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.237 -15.761 -11.168 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.947 -14.785 -9.448 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -1.236 -17.654 -9.740 1.00 0.00 H new ATOM 0 HE1 TYR A 2 2.801 -15.939 -7.426 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -0.381 -18.810 -7.719 1.00 0.00 H new ATOM 0 HH TYR A 2 1.115 -18.801 -6.057 1.00 0.00 H new ATOM 41 N GLY A 3 1.718 -13.582 -11.830 1.00 0.00 N ATOM 42 CA GLY A 3 2.309 -12.299 -12.307 1.00 0.00 C ATOM 43 C GLY A 3 1.358 -11.146 -11.980 1.00 0.00 C ATOM 44 O GLY A 3 1.634 -10.000 -12.271 1.00 0.00 O ATOM 0 H GLY A 3 1.683 -13.695 -10.817 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.276 -12.133 -11.832 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.486 -12.345 -13.382 1.00 0.00 H new ATOM 48 N LYS A 4 0.241 -11.438 -11.375 1.00 0.00 N ATOM 49 CA LYS A 4 -0.719 -10.353 -11.032 1.00 0.00 C ATOM 50 C LYS A 4 -0.152 -9.520 -9.886 1.00 0.00 C ATOM 51 O LYS A 4 -0.275 -8.311 -9.867 1.00 0.00 O ATOM 52 CB LYS A 4 -2.052 -10.964 -10.606 1.00 0.00 C ATOM 53 CG LYS A 4 -2.454 -12.048 -11.605 1.00 0.00 C ATOM 54 CD LYS A 4 -3.980 -12.127 -11.685 1.00 0.00 C ATOM 55 CE LYS A 4 -4.481 -11.253 -12.836 1.00 0.00 C ATOM 56 NZ LYS A 4 -4.370 -9.815 -12.458 1.00 0.00 N ATOM 0 H LYS A 4 -0.048 -12.378 -11.104 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.875 -9.717 -11.904 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.967 -11.389 -9.606 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.821 -10.192 -10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.039 -11.824 -12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.045 -13.010 -11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.293 -13.160 -11.837 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.421 -11.795 -10.745 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.897 -11.449 -13.735 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.517 -11.499 -13.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.933 -9.239 -13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.725 -9.682 -11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.374 -9.520 -12.505 1.00 0.00 H new ATOM 70 N LEU A 5 0.471 -10.151 -8.929 1.00 0.00 N ATOM 71 CA LEU A 5 1.040 -9.378 -7.792 1.00 0.00 C ATOM 72 C LEU A 5 1.706 -8.119 -8.344 1.00 0.00 C ATOM 73 O LEU A 5 1.371 -7.018 -7.964 1.00 0.00 O ATOM 74 CB LEU A 5 2.086 -10.211 -7.048 1.00 0.00 C ATOM 75 CG LEU A 5 1.463 -11.452 -6.379 1.00 0.00 C ATOM 76 CD1 LEU A 5 -0.059 -11.319 -6.234 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.790 -12.692 -7.211 1.00 0.00 C ATOM 0 H LEU A 5 0.610 -11.161 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 5 0.240 -9.118 -7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.862 -10.526 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.569 -9.594 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 5 1.886 -11.543 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.459 -12.214 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.291 -10.448 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.509 -11.200 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.351 -13.572 -6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.381 -12.575 -8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.871 -12.815 -7.272 1.00 0.00 H new ATOM 89 N ASN A 6 2.643 -8.267 -9.243 1.00 0.00 N ATOM 90 CA ASN A 6 3.305 -7.064 -9.808 1.00 0.00 C ATOM 91 C ASN A 6 2.243 -5.986 -10.016 1.00 0.00 C ATOM 92 O ASN A 6 2.485 -4.814 -9.802 1.00 0.00 O ATOM 93 CB ASN A 6 3.964 -7.413 -11.142 1.00 0.00 C ATOM 94 CG ASN A 6 3.972 -8.930 -11.328 1.00 0.00 C ATOM 95 OD1 ASN A 6 4.138 -9.670 -10.379 1.00 0.00 O ATOM 96 ND2 ASN A 6 3.803 -9.429 -12.522 1.00 0.00 N ATOM 0 H ASN A 6 2.973 -9.161 -9.605 1.00 0.00 H new ATOM 0 HA ASN A 6 4.075 -6.703 -9.126 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.424 -6.939 -11.961 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.983 -7.028 -11.167 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.810 -10.440 -12.658 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.664 -8.808 -13.319 1.00 0.00 H new ATOM 103 N ASP A 7 1.056 -6.376 -10.404 1.00 0.00 N ATOM 104 CA ASP A 7 -0.024 -5.371 -10.589 1.00 0.00 C ATOM 105 C ASP A 7 -0.343 -4.776 -9.219 1.00 0.00 C ATOM 106 O ASP A 7 -0.534 -3.586 -9.070 1.00 0.00 O ATOM 107 CB ASP A 7 -1.271 -6.048 -11.162 1.00 0.00 C ATOM 108 CG ASP A 7 -1.968 -5.096 -12.136 1.00 0.00 C ATOM 109 OD1 ASP A 7 -2.474 -4.083 -11.682 1.00 0.00 O ATOM 110 OD2 ASP A 7 -1.983 -5.395 -13.318 1.00 0.00 O ATOM 0 H ASP A 7 0.792 -7.342 -10.599 1.00 0.00 H new ATOM 0 HA ASP A 7 0.294 -4.591 -11.281 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.994 -6.970 -11.674 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.951 -6.323 -10.356 1.00 0.00 H new ATOM 115 N LEU A 8 -0.369 -5.607 -8.211 1.00 0.00 N ATOM 116 CA LEU A 8 -0.639 -5.114 -6.833 1.00 0.00 C ATOM 117 C LEU A 8 0.618 -4.409 -6.327 1.00 0.00 C ATOM 118 O LEU A 8 0.566 -3.327 -5.775 1.00 0.00 O ATOM 119 CB LEU A 8 -0.937 -6.305 -5.916 1.00 0.00 C ATOM 120 CG LEU A 8 -2.438 -6.409 -5.656 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.933 -5.119 -5.003 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.171 -6.636 -6.981 1.00 0.00 C ATOM 0 H LEU A 8 -0.214 -6.612 -8.286 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.491 -4.434 -6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.576 -7.225 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.404 -6.189 -4.972 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.636 -7.247 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.005 -5.193 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.411 -4.966 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.737 -4.277 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.243 -6.710 -6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.976 -5.800 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.817 -7.560 -7.439 1.00 0.00 H new ATOM 134 N LEU A 9 1.748 -5.032 -6.516 1.00 0.00 N ATOM 135 CA LEU A 9 3.031 -4.436 -6.058 1.00 0.00 C ATOM 136 C LEU A 9 3.278 -3.112 -6.783 1.00 0.00 C ATOM 137 O LEU A 9 3.357 -2.063 -6.175 1.00 0.00 O ATOM 138 CB LEU A 9 4.171 -5.403 -6.386 1.00 0.00 C ATOM 139 CG LEU A 9 5.391 -5.070 -5.530 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.440 -6.165 -5.702 1.00 0.00 C ATOM 141 CD2 LEU A 9 5.979 -3.730 -5.975 1.00 0.00 C ATOM 0 H LEU A 9 1.836 -5.939 -6.974 1.00 0.00 H new ATOM 0 HA LEU A 9 2.984 -4.256 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.854 -6.430 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.427 -5.334 -7.443 1.00 0.00 H new ATOM 0 HG LEU A 9 5.095 -5.005 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.313 -5.931 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.023 -7.121 -5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.735 -6.225 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.850 -3.494 -5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.277 -3.793 -7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.230 -2.947 -5.858 1.00 0.00 H new ATOM 153 N GLU A 10 3.413 -3.159 -8.080 1.00 0.00 N ATOM 154 CA GLU A 10 3.669 -1.910 -8.851 1.00 0.00 C ATOM 155 C GLU A 10 2.600 -0.867 -8.521 1.00 0.00 C ATOM 156 O GLU A 10 2.902 0.230 -8.092 1.00 0.00 O ATOM 157 CB GLU A 10 3.630 -2.225 -10.349 1.00 0.00 C ATOM 158 CG GLU A 10 3.699 -0.922 -11.148 1.00 0.00 C ATOM 159 CD GLU A 10 4.269 -1.208 -12.538 1.00 0.00 C ATOM 160 OE1 GLU A 10 4.278 -2.365 -12.928 1.00 0.00 O ATOM 161 OE2 GLU A 10 4.686 -0.266 -13.192 1.00 0.00 O ATOM 0 H GLU A 10 3.357 -4.010 -8.640 1.00 0.00 H new ATOM 0 HA GLU A 10 4.649 -1.514 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.465 -2.873 -10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.716 -2.766 -10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.705 -0.482 -11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.325 -0.197 -10.628 1.00 0.00 H new ATOM 168 N ASP A 11 1.354 -1.193 -8.727 1.00 0.00 N ATOM 169 CA ASP A 11 0.269 -0.214 -8.434 1.00 0.00 C ATOM 170 C ASP A 11 0.348 0.236 -6.973 1.00 0.00 C ATOM 171 O ASP A 11 -0.089 1.312 -6.628 1.00 0.00 O ATOM 172 CB ASP A 11 -1.092 -0.866 -8.694 1.00 0.00 C ATOM 173 CG ASP A 11 -1.189 -1.278 -10.164 1.00 0.00 C ATOM 174 OD1 ASP A 11 -0.246 -1.880 -10.654 1.00 0.00 O ATOM 175 OD2 ASP A 11 -2.203 -0.985 -10.776 1.00 0.00 O ATOM 0 H ASP A 11 1.040 -2.095 -9.086 1.00 0.00 H new ATOM 0 HA ASP A 11 0.389 0.654 -9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.218 -1.738 -8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.894 -0.170 -8.447 1.00 0.00 H new ATOM 180 N LEU A 12 0.896 -0.574 -6.111 1.00 0.00 N ATOM 181 CA LEU A 12 0.990 -0.179 -4.675 1.00 0.00 C ATOM 182 C LEU A 12 2.166 0.781 -4.480 1.00 0.00 C ATOM 183 O LEU A 12 2.033 1.816 -3.857 1.00 0.00 O ATOM 184 CB LEU A 12 1.198 -1.433 -3.816 1.00 0.00 C ATOM 185 CG LEU A 12 1.625 -1.035 -2.399 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.531 -0.184 -1.753 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.844 -2.299 -1.562 1.00 0.00 C ATOM 0 H LEU A 12 1.282 -1.491 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 12 0.069 0.319 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.276 -2.014 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.958 -2.071 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 12 2.550 -0.461 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.837 0.098 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.370 0.715 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.395 -0.757 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.148 -2.019 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.917 -2.870 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.623 -2.908 -2.020 1.00 0.00 H new ATOM 199 N GLN A 13 3.315 0.449 -5.001 1.00 0.00 N ATOM 200 CA GLN A 13 4.489 1.350 -4.835 1.00 0.00 C ATOM 201 C GLN A 13 4.267 2.627 -5.651 1.00 0.00 C ATOM 202 O GLN A 13 4.799 3.675 -5.341 1.00 0.00 O ATOM 203 CB GLN A 13 5.755 0.632 -5.312 1.00 0.00 C ATOM 204 CG GLN A 13 5.986 0.914 -6.799 1.00 0.00 C ATOM 205 CD GLN A 13 7.132 0.040 -7.311 1.00 0.00 C ATOM 206 OE1 GLN A 13 7.054 -0.517 -8.387 1.00 0.00 O ATOM 207 NE2 GLN A 13 8.202 -0.102 -6.578 1.00 0.00 N ATOM 0 H GLN A 13 3.491 -0.404 -5.532 1.00 0.00 H new ATOM 0 HA GLN A 13 4.606 1.614 -3.784 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.614 0.968 -4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.659 -0.441 -5.147 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.077 0.709 -7.365 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.223 1.967 -6.948 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.267 0.366 -5.674 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.974 -0.681 -6.909 1.00 0.00 H new ATOM 216 N GLU A 14 3.473 2.550 -6.685 1.00 0.00 N ATOM 217 CA GLU A 14 3.205 3.763 -7.508 1.00 0.00 C ATOM 218 C GLU A 14 2.481 4.789 -6.639 1.00 0.00 C ATOM 219 O GLU A 14 2.963 5.881 -6.416 1.00 0.00 O ATOM 220 CB GLU A 14 2.319 3.390 -8.694 1.00 0.00 C ATOM 221 CG GLU A 14 3.185 2.882 -9.849 1.00 0.00 C ATOM 222 CD GLU A 14 2.361 2.871 -11.138 1.00 0.00 C ATOM 223 OE1 GLU A 14 1.158 2.695 -11.046 1.00 0.00 O ATOM 224 OE2 GLU A 14 2.948 3.037 -12.194 1.00 0.00 O ATOM 0 H GLU A 14 3.000 1.701 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 14 4.143 4.177 -7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.604 2.622 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.741 4.257 -9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.060 3.521 -9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.550 1.879 -9.630 1.00 0.00 H new ATOM 231 N VAL A 15 1.329 4.437 -6.135 1.00 0.00 N ATOM 232 CA VAL A 15 0.583 5.383 -5.267 1.00 0.00 C ATOM 233 C VAL A 15 1.579 6.017 -4.295 1.00 0.00 C ATOM 234 O VAL A 15 1.552 7.206 -4.044 1.00 0.00 O ATOM 235 CB VAL A 15 -0.509 4.616 -4.501 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.599 3.190 -5.036 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.187 4.571 -3.004 1.00 0.00 C ATOM 0 H VAL A 15 0.876 3.536 -6.288 1.00 0.00 H new ATOM 0 HA VAL A 15 0.103 6.162 -5.860 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.460 5.130 -4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.372 2.646 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.849 3.214 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.360 2.689 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.971 4.024 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.769 4.069 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.130 5.587 -2.613 1.00 0.00 H new ATOM 247 N LEU A 16 2.473 5.228 -3.763 1.00 0.00 N ATOM 248 CA LEU A 16 3.488 5.779 -2.827 1.00 0.00 C ATOM 249 C LEU A 16 4.344 6.790 -3.590 1.00 0.00 C ATOM 250 O LEU A 16 4.832 7.753 -3.034 1.00 0.00 O ATOM 251 CB LEU A 16 4.368 4.642 -2.300 1.00 0.00 C ATOM 252 CG LEU A 16 5.524 5.214 -1.476 1.00 0.00 C ATOM 253 CD1 LEU A 16 4.977 5.844 -0.193 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.496 4.087 -1.117 1.00 0.00 C ATOM 0 H LEU A 16 2.542 4.225 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 16 3.001 6.266 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.773 3.965 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.759 4.057 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 16 6.044 5.975 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.801 6.251 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.283 6.645 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.456 5.085 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.321 4.491 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.974 3.328 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.886 3.639 -2.031 1.00 0.00 H new ATOM 266 N LYS A 17 4.517 6.580 -4.869 1.00 0.00 N ATOM 267 CA LYS A 17 5.328 7.534 -5.677 1.00 0.00 C ATOM 268 C LYS A 17 4.478 8.768 -5.978 1.00 0.00 C ATOM 269 O LYS A 17 4.913 9.891 -5.818 1.00 0.00 O ATOM 270 CB LYS A 17 5.746 6.865 -6.990 1.00 0.00 C ATOM 271 CG LYS A 17 7.263 6.968 -7.155 1.00 0.00 C ATOM 272 CD LYS A 17 7.631 6.763 -8.625 1.00 0.00 C ATOM 273 CE LYS A 17 9.126 7.025 -8.817 1.00 0.00 C ATOM 274 NZ LYS A 17 9.904 5.860 -8.305 1.00 0.00 N ATOM 0 H LYS A 17 4.132 5.790 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 17 6.221 7.825 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.440 5.819 -6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.245 7.345 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.611 7.943 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.758 6.219 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.386 5.747 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.049 7.436 -9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.345 7.187 -9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.418 7.932 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.917 6.015 -8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.742 5.757 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.596 4.995 -8.793 1.00 0.00 H new ATOM 288 N HIS A 18 3.260 8.564 -6.401 1.00 0.00 N ATOM 289 CA HIS A 18 2.367 9.717 -6.701 1.00 0.00 C ATOM 290 C HIS A 18 1.909 10.345 -5.385 1.00 0.00 C ATOM 291 O HIS A 18 1.089 11.242 -5.362 1.00 0.00 O ATOM 292 CB HIS A 18 1.150 9.220 -7.477 1.00 0.00 C ATOM 293 CG HIS A 18 0.646 10.307 -8.386 1.00 0.00 C ATOM 294 ND1 HIS A 18 1.416 11.410 -8.727 1.00 0.00 N ATOM 295 CD2 HIS A 18 -0.554 10.473 -9.033 1.00 0.00 C ATOM 296 CE1 HIS A 18 0.676 12.184 -9.544 1.00 0.00 C ATOM 297 NE2 HIS A 18 -0.530 11.656 -9.760 1.00 0.00 N ATOM 0 H HIS A 18 2.845 7.645 -6.552 1.00 0.00 H new ATOM 0 HA HIS A 18 2.901 10.457 -7.296 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.415 8.339 -8.061 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.364 8.919 -6.785 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.388 9.789 -8.984 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.016 13.116 -9.971 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.277 12.040 -10.338 1.00 0.00 H new ATOM 306 N VAL A 19 2.429 9.870 -4.287 1.00 0.00 N ATOM 307 CA VAL A 19 2.026 10.424 -2.965 1.00 0.00 C ATOM 308 C VAL A 19 3.251 11.028 -2.269 1.00 0.00 C ATOM 309 O VAL A 19 3.130 11.818 -1.353 1.00 0.00 O ATOM 310 CB VAL A 19 1.449 9.293 -2.108 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.470 9.699 -0.636 1.00 0.00 C ATOM 312 CG2 VAL A 19 0.006 9.012 -2.535 1.00 0.00 C ATOM 0 H VAL A 19 3.118 9.119 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 19 1.274 11.201 -3.101 1.00 0.00 H new ATOM 0 HB VAL A 19 2.053 8.396 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.059 8.892 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.497 9.897 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.870 10.598 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.404 8.207 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.595 9.911 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.012 8.717 -3.584 1.00 0.00 H new ATOM 322 N ASN A 20 4.428 10.662 -2.696 1.00 0.00 N ATOM 323 CA ASN A 20 5.659 11.213 -2.057 1.00 0.00 C ATOM 324 C ASN A 20 5.824 12.688 -2.436 1.00 0.00 C ATOM 325 O ASN A 20 6.296 13.490 -1.654 1.00 0.00 O ATOM 326 CB ASN A 20 6.878 10.427 -2.546 1.00 0.00 C ATOM 327 CG ASN A 20 7.273 9.382 -1.502 1.00 0.00 C ATOM 328 OD1 ASN A 20 6.944 9.511 -0.339 1.00 0.00 O ATOM 329 ND2 ASN A 20 7.971 8.343 -1.872 1.00 0.00 N ATOM 0 H ASN A 20 4.592 10.006 -3.459 1.00 0.00 H new ATOM 0 HA ASN A 20 5.573 11.126 -0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.651 9.940 -3.494 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.711 11.106 -2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.241 7.639 -1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.247 8.235 -2.848 1.00 0.00 H new ATOM 336 N GLN A 21 5.448 13.050 -3.632 1.00 0.00 N ATOM 337 CA GLN A 21 5.596 14.470 -4.062 1.00 0.00 C ATOM 338 C GLN A 21 4.294 15.234 -3.803 1.00 0.00 C ATOM 339 O GLN A 21 4.276 16.448 -3.766 1.00 0.00 O ATOM 340 CB GLN A 21 5.922 14.516 -5.557 1.00 0.00 C ATOM 341 CG GLN A 21 6.368 15.928 -5.940 1.00 0.00 C ATOM 342 CD GLN A 21 7.883 15.945 -6.148 1.00 0.00 C ATOM 343 OE1 GLN A 21 8.384 16.652 -6.999 1.00 0.00 O ATOM 344 NE2 GLN A 21 8.638 15.186 -5.403 1.00 0.00 N ATOM 0 H GLN A 21 5.045 12.425 -4.330 1.00 0.00 H new ATOM 0 HA GLN A 21 6.402 14.934 -3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.709 13.799 -5.790 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.047 14.229 -6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.861 16.246 -6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.090 16.634 -5.157 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.217 14.592 -4.688 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.649 15.186 -5.535 1.00 0.00 H new ATOM 353 N HIS A 22 3.204 14.538 -3.632 1.00 0.00 N ATOM 354 CA HIS A 22 1.911 15.234 -3.385 1.00 0.00 C ATOM 355 C HIS A 22 1.507 15.077 -1.919 1.00 0.00 C ATOM 356 O HIS A 22 0.341 14.980 -1.594 1.00 0.00 O ATOM 357 CB HIS A 22 0.828 14.626 -4.279 1.00 0.00 C ATOM 358 CG HIS A 22 0.953 15.194 -5.666 1.00 0.00 C ATOM 359 ND1 HIS A 22 0.760 16.542 -5.933 1.00 0.00 N ATOM 360 CD2 HIS A 22 1.254 14.611 -6.872 1.00 0.00 C ATOM 361 CE1 HIS A 22 0.945 16.724 -7.253 1.00 0.00 C ATOM 362 NE2 HIS A 22 1.247 15.580 -7.869 1.00 0.00 N ATOM 0 H HIS A 22 3.153 13.519 -3.653 1.00 0.00 H new ATOM 0 HA HIS A 22 2.025 16.294 -3.614 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.930 13.541 -4.307 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.160 14.843 -3.872 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.464 13.562 -7.023 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.860 17.678 -7.752 1.00 0.00 H new ATOM 0 HE2 HIS A 22 1.434 15.445 -8.863 1.00 0.00 H new ATOM 371 N TRP A 23 2.459 15.055 -1.028 1.00 0.00 N ATOM 372 CA TRP A 23 2.118 14.908 0.412 1.00 0.00 C ATOM 373 C TRP A 23 1.831 16.281 1.008 1.00 0.00 C ATOM 374 O TRP A 23 2.471 17.260 0.679 1.00 0.00 O ATOM 375 CB TRP A 23 3.287 14.276 1.157 1.00 0.00 C ATOM 376 CG TRP A 23 2.798 13.715 2.450 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.570 14.429 3.573 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.472 12.336 2.769 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.127 13.570 4.564 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.052 12.268 4.114 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.505 11.154 2.023 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.677 11.060 4.701 1.00 0.00 C ATOM 383 CZ3 TRP A 23 2.127 9.934 2.605 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.714 9.888 3.943 1.00 0.00 C ATOM 0 H TRP A 23 3.455 15.132 -1.235 1.00 0.00 H new ATOM 0 HA TRP A 23 1.238 14.271 0.508 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.737 13.489 0.552 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.063 15.020 1.340 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.710 15.494 3.680 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.886 13.864 5.511 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.824 11.180 0.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.361 11.031 5.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 2.155 9.027 2.019 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.425 8.947 4.388 1.00 0.00 H new ATOM 395 N GLN A 24 0.877 16.360 1.888 1.00 0.00 N ATOM 396 CA GLN A 24 0.554 17.674 2.510 1.00 0.00 C ATOM 397 C GLN A 24 -0.036 17.453 3.904 1.00 0.00 C ATOM 398 O GLN A 24 -0.996 16.728 4.075 1.00 0.00 O ATOM 399 CB GLN A 24 -0.448 18.427 1.632 1.00 0.00 C ATOM 400 CG GLN A 24 0.292 19.061 0.453 1.00 0.00 C ATOM 401 CD GLN A 24 -0.630 20.051 -0.260 1.00 0.00 C ATOM 402 OE1 GLN A 24 -0.940 19.882 -1.422 1.00 0.00 O ATOM 403 NE2 GLN A 24 -1.083 21.086 0.392 1.00 0.00 N ATOM 0 H GLN A 24 0.307 15.575 2.204 1.00 0.00 H new ATOM 0 HA GLN A 24 1.465 18.266 2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.217 17.744 1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.954 19.196 2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.188 19.572 0.806 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.619 18.288 -0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.823 21.228 1.368 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.698 21.753 -0.074 1.00 0.00 H new ATOM 412 N GLY A 25 0.534 18.072 4.902 1.00 0.00 N ATOM 413 CA GLY A 25 0.009 17.899 6.286 1.00 0.00 C ATOM 414 C GLY A 25 1.105 17.310 7.175 1.00 0.00 C ATOM 415 O GLY A 25 0.862 16.426 7.972 1.00 0.00 O ATOM 0 H GLY A 25 1.341 18.690 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.321 18.859 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.860 17.241 6.278 1.00 0.00 H new ATOM 419 N GLY A 26 2.312 17.790 7.044 1.00 0.00 N ATOM 420 CA GLY A 26 3.423 17.254 7.880 1.00 0.00 C ATOM 421 C GLY A 26 4.337 16.387 7.011 1.00 0.00 C ATOM 422 O GLY A 26 4.162 15.190 6.911 1.00 0.00 O ATOM 0 H GLY A 26 2.576 18.530 6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.991 18.074 8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.021 16.666 8.705 1.00 0.00 H new ATOM 426 N GLN A 27 5.310 16.985 6.380 1.00 0.00 N ATOM 427 CA GLN A 27 6.231 16.195 5.516 1.00 0.00 C ATOM 428 C GLN A 27 7.103 15.288 6.389 1.00 0.00 C ATOM 429 O GLN A 27 8.158 14.847 5.978 1.00 0.00 O ATOM 430 CB GLN A 27 7.125 17.146 4.718 1.00 0.00 C ATOM 431 CG GLN A 27 7.991 16.339 3.746 1.00 0.00 C ATOM 432 CD GLN A 27 8.241 17.161 2.479 1.00 0.00 C ATOM 433 OE1 GLN A 27 8.953 18.145 2.511 1.00 0.00 O ATOM 434 NE2 GLN A 27 7.681 16.795 1.358 1.00 0.00 N ATOM 0 H GLN A 27 5.507 17.985 6.425 1.00 0.00 H new ATOM 0 HA GLN A 27 5.646 15.583 4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.513 17.862 4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.758 17.721 5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.939 16.080 4.217 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.495 15.402 3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.083 15.969 1.332 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.841 17.335 0.508 1.00 0.00 H new ATOM 443 N LYS A 28 6.672 15.002 7.587 1.00 0.00 N ATOM 444 CA LYS A 28 7.481 14.121 8.478 1.00 0.00 C ATOM 445 C LYS A 28 6.914 12.701 8.440 1.00 0.00 C ATOM 446 O LYS A 28 7.590 11.743 8.761 1.00 0.00 O ATOM 447 CB LYS A 28 7.437 14.659 9.911 1.00 0.00 C ATOM 448 CG LYS A 28 6.005 14.589 10.450 1.00 0.00 C ATOM 449 CD LYS A 28 6.009 14.907 11.946 1.00 0.00 C ATOM 450 CE LYS A 28 4.569 15.005 12.451 1.00 0.00 C ATOM 451 NZ LYS A 28 4.573 15.383 13.892 1.00 0.00 N ATOM 0 H LYS A 28 5.797 15.339 7.987 1.00 0.00 H new ATOM 0 HA LYS A 28 8.515 14.106 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.103 14.077 10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.793 15.689 9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.370 15.297 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.589 13.596 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.545 14.131 12.492 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.534 15.845 12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.019 15.746 11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.059 14.051 12.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.594 15.450 14.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.084 14.661 14.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.044 16.303 14.008 1.00 0.00 H new ATOM 465 N ASN A 29 5.681 12.556 8.041 1.00 0.00 N ATOM 466 CA ASN A 29 5.076 11.197 7.974 1.00 0.00 C ATOM 467 C ASN A 29 5.628 10.465 6.751 1.00 0.00 C ATOM 468 O ASN A 29 5.873 9.277 6.784 1.00 0.00 O ATOM 469 CB ASN A 29 3.554 11.315 7.852 1.00 0.00 C ATOM 470 CG ASN A 29 3.044 12.365 8.841 1.00 0.00 C ATOM 471 OD1 ASN A 29 3.428 13.516 8.777 1.00 0.00 O ATOM 472 ND2 ASN A 29 2.186 12.015 9.761 1.00 0.00 N ATOM 0 H ASN A 29 5.067 13.320 7.759 1.00 0.00 H new ATOM 0 HA ASN A 29 5.322 10.643 8.880 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.280 11.595 6.835 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.086 10.351 8.054 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.839 12.707 10.425 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.863 11.049 9.816 1.00 0.00 H new ATOM 479 N MET A 30 5.828 11.171 5.671 1.00 0.00 N ATOM 480 CA MET A 30 6.367 10.522 4.444 1.00 0.00 C ATOM 481 C MET A 30 7.497 9.565 4.830 1.00 0.00 C ATOM 482 O MET A 30 7.671 8.522 4.233 1.00 0.00 O ATOM 483 CB MET A 30 6.908 11.595 3.495 1.00 0.00 C ATOM 484 CG MET A 30 7.374 10.940 2.192 1.00 0.00 C ATOM 485 SD MET A 30 9.149 11.218 1.981 1.00 0.00 S ATOM 486 CE MET A 30 9.616 9.493 1.700 1.00 0.00 C ATOM 0 H MET A 30 5.641 12.170 5.586 1.00 0.00 H new ATOM 0 HA MET A 30 5.572 9.965 3.947 1.00 0.00 H new ATOM 0 HB2 MET A 30 6.134 12.334 3.286 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.737 12.125 3.964 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.162 9.871 2.213 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.826 11.357 1.347 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.423 9.449 0.968 1.00 0.00 H new ATOM 0 HE2 MET A 30 9.952 9.050 2.637 1.00 0.00 H new ATOM 0 HE3 MET A 30 8.755 8.940 1.325 1.00 0.00 H new ATOM 496 N ASN A 31 8.267 9.914 5.825 1.00 0.00 N ATOM 497 CA ASN A 31 9.385 9.026 6.251 1.00 0.00 C ATOM 498 C ASN A 31 8.833 7.890 7.115 1.00 0.00 C ATOM 499 O ASN A 31 9.177 6.739 6.940 1.00 0.00 O ATOM 500 CB ASN A 31 10.398 9.834 7.066 1.00 0.00 C ATOM 501 CG ASN A 31 11.105 10.841 6.156 1.00 0.00 C ATOM 502 OD1 ASN A 31 12.294 11.059 6.283 1.00 0.00 O ATOM 503 ND2 ASN A 31 10.420 11.467 5.239 1.00 0.00 N ATOM 0 H ASN A 31 8.170 10.776 6.361 1.00 0.00 H new ATOM 0 HA ASN A 31 9.873 8.611 5.369 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.892 10.356 7.879 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.128 9.166 7.522 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.882 12.140 4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.422 11.283 5.133 1.00 0.00 H new ATOM 510 N LYS A 32 7.982 8.211 8.051 1.00 0.00 N ATOM 511 CA LYS A 32 7.406 7.156 8.935 1.00 0.00 C ATOM 512 C LYS A 32 6.509 6.226 8.115 1.00 0.00 C ATOM 513 O LYS A 32 6.520 5.024 8.290 1.00 0.00 O ATOM 514 CB LYS A 32 6.581 7.814 10.043 1.00 0.00 C ATOM 515 CG LYS A 32 7.516 8.516 11.032 1.00 0.00 C ATOM 516 CD LYS A 32 7.262 7.987 12.445 1.00 0.00 C ATOM 517 CE LYS A 32 7.846 6.579 12.578 1.00 0.00 C ATOM 518 NZ LYS A 32 9.254 6.666 13.060 1.00 0.00 N ATOM 0 H LYS A 32 7.660 9.160 8.243 1.00 0.00 H new ATOM 0 HA LYS A 32 8.216 6.576 9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.884 8.533 9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.985 7.063 10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.555 8.344 10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.351 9.593 11.001 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.716 8.651 13.180 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.192 7.969 12.651 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.248 5.991 13.274 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.811 6.067 11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.650 5.709 13.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.821 7.212 12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.275 7.138 13.987 1.00 0.00 H new ATOM 532 N VAL A 33 5.727 6.772 7.224 1.00 0.00 N ATOM 533 CA VAL A 33 4.827 5.916 6.399 1.00 0.00 C ATOM 534 C VAL A 33 5.648 5.185 5.333 1.00 0.00 C ATOM 535 O VAL A 33 5.341 4.072 4.955 1.00 0.00 O ATOM 536 CB VAL A 33 3.773 6.790 5.716 1.00 0.00 C ATOM 537 CG1 VAL A 33 3.237 7.820 6.711 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.406 7.514 4.526 1.00 0.00 C ATOM 0 H VAL A 33 5.672 7.772 7.032 1.00 0.00 H new ATOM 0 HA VAL A 33 4.335 5.187 7.042 1.00 0.00 H new ATOM 0 HB VAL A 33 2.953 6.162 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.486 8.441 6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.786 7.306 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.056 8.448 7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.656 8.137 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.227 8.140 4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.787 6.781 3.815 1.00 0.00 H new ATOM 548 N ASP A 34 6.689 5.801 4.843 1.00 0.00 N ATOM 549 CA ASP A 34 7.525 5.142 3.800 1.00 0.00 C ATOM 550 C ASP A 34 8.018 3.787 4.316 1.00 0.00 C ATOM 551 O ASP A 34 8.057 2.813 3.591 1.00 0.00 O ATOM 552 CB ASP A 34 8.728 6.030 3.473 1.00 0.00 C ATOM 553 CG ASP A 34 9.823 5.188 2.816 1.00 0.00 C ATOM 554 OD1 ASP A 34 9.492 4.379 1.965 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.975 5.367 3.174 1.00 0.00 O ATOM 0 H ASP A 34 6.997 6.733 5.120 1.00 0.00 H new ATOM 0 HA ASP A 34 6.928 4.992 2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.426 6.837 2.806 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.109 6.494 4.383 1.00 0.00 H new ATOM 560 N HIS A 35 8.396 3.717 5.563 1.00 0.00 N ATOM 561 CA HIS A 35 8.887 2.425 6.120 1.00 0.00 C ATOM 562 C HIS A 35 7.720 1.444 6.248 1.00 0.00 C ATOM 563 O HIS A 35 7.894 0.244 6.165 1.00 0.00 O ATOM 564 CB HIS A 35 9.505 2.665 7.498 1.00 0.00 C ATOM 565 CG HIS A 35 10.295 3.944 7.480 1.00 0.00 C ATOM 566 ND1 HIS A 35 10.812 4.478 6.307 1.00 0.00 N ATOM 567 CD2 HIS A 35 10.664 4.808 8.481 1.00 0.00 C ATOM 568 CE1 HIS A 35 11.458 5.614 6.629 1.00 0.00 C ATOM 569 NE2 HIS A 35 11.396 5.858 7.939 1.00 0.00 N ATOM 0 H HIS A 35 8.386 4.498 6.219 1.00 0.00 H new ATOM 0 HA HIS A 35 9.640 2.006 5.452 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.722 2.720 8.254 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.151 1.830 7.768 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.423 4.690 9.527 1.00 0.00 H new ATOM 0 HE1 HIS A 35 11.963 6.249 5.916 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.801 6.650 8.439 1.00 0.00 H new ATOM 578 N HIS A 36 6.531 1.942 6.447 1.00 0.00 N ATOM 579 CA HIS A 36 5.357 1.033 6.578 1.00 0.00 C ATOM 580 C HIS A 36 5.145 0.283 5.262 1.00 0.00 C ATOM 581 O HIS A 36 5.058 -0.927 5.232 1.00 0.00 O ATOM 582 CB HIS A 36 4.109 1.857 6.901 1.00 0.00 C ATOM 583 CG HIS A 36 3.978 2.005 8.393 1.00 0.00 C ATOM 584 ND1 HIS A 36 4.850 2.789 9.137 1.00 0.00 N ATOM 585 CD2 HIS A 36 3.087 1.477 9.294 1.00 0.00 C ATOM 586 CE1 HIS A 36 4.467 2.709 10.426 1.00 0.00 C ATOM 587 NE2 HIS A 36 3.399 1.924 10.573 1.00 0.00 N ATOM 0 H HIS A 36 6.321 2.937 6.525 1.00 0.00 H new ATOM 0 HA HIS A 36 5.538 0.317 7.380 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.177 2.839 6.432 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.223 1.370 6.494 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.637 3.327 8.774 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.269 0.816 9.047 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.963 3.217 11.239 1.00 0.00 H new ATOM 596 N LEU A 37 5.061 0.995 4.172 1.00 0.00 N ATOM 597 CA LEU A 37 4.855 0.326 2.857 1.00 0.00 C ATOM 598 C LEU A 37 6.115 -0.452 2.477 1.00 0.00 C ATOM 599 O LEU A 37 6.072 -1.642 2.241 1.00 0.00 O ATOM 600 CB LEU A 37 4.568 1.381 1.789 1.00 0.00 C ATOM 601 CG LEU A 37 3.060 1.603 1.674 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.775 3.093 1.505 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.527 0.852 0.452 1.00 0.00 C ATOM 0 H LEU A 37 5.126 2.012 4.135 1.00 0.00 H new ATOM 0 HA LEU A 37 4.011 -0.361 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.064 2.317 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.972 1.059 0.829 1.00 0.00 H new ATOM 0 HG LEU A 37 2.572 1.235 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.700 3.251 1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.157 3.637 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.265 3.457 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.452 1.009 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.019 1.224 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.730 -0.213 0.562 1.00 0.00 H new ATOM 615 N GLN A 38 7.239 0.209 2.413 1.00 0.00 N ATOM 616 CA GLN A 38 8.497 -0.501 2.048 1.00 0.00 C ATOM 617 C GLN A 38 8.481 -1.899 2.667 1.00 0.00 C ATOM 618 O GLN A 38 8.960 -2.852 2.085 1.00 0.00 O ATOM 619 CB GLN A 38 9.701 0.282 2.577 1.00 0.00 C ATOM 620 CG GLN A 38 10.401 0.989 1.415 1.00 0.00 C ATOM 621 CD GLN A 38 11.613 1.761 1.942 1.00 0.00 C ATOM 622 OE1 GLN A 38 12.362 2.335 1.178 1.00 0.00 O ATOM 623 NE2 GLN A 38 11.837 1.797 3.228 1.00 0.00 N ATOM 0 H GLN A 38 7.340 1.207 2.597 1.00 0.00 H new ATOM 0 HA GLN A 38 8.571 -0.581 0.964 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.376 1.012 3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.396 -0.393 3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.717 0.260 0.669 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.709 1.671 0.921 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.207 1.315 3.869 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.642 2.308 3.591 1.00 0.00 H new ATOM 632 N ASN A 39 7.928 -2.029 3.843 1.00 0.00 N ATOM 633 CA ASN A 39 7.875 -3.366 4.496 1.00 0.00 C ATOM 634 C ASN A 39 6.723 -4.174 3.894 1.00 0.00 C ATOM 635 O ASN A 39 6.772 -5.387 3.828 1.00 0.00 O ATOM 636 CB ASN A 39 7.650 -3.190 6.001 1.00 0.00 C ATOM 637 CG ASN A 39 8.804 -3.839 6.770 1.00 0.00 C ATOM 638 OD1 ASN A 39 8.616 -4.346 7.857 1.00 0.00 O ATOM 639 ND2 ASN A 39 9.999 -3.844 6.246 1.00 0.00 N ATOM 0 H ASN A 39 7.511 -1.267 4.378 1.00 0.00 H new ATOM 0 HA ASN A 39 8.815 -3.893 4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.585 -2.130 6.248 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.703 -3.644 6.293 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.775 -4.274 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.157 -3.418 5.333 1.00 0.00 H new ATOM 646 N VAL A 40 5.689 -3.514 3.450 1.00 0.00 N ATOM 647 CA VAL A 40 4.544 -4.248 2.847 1.00 0.00 C ATOM 648 C VAL A 40 4.871 -4.575 1.390 1.00 0.00 C ATOM 649 O VAL A 40 4.935 -5.726 1.006 1.00 0.00 O ATOM 650 CB VAL A 40 3.283 -3.387 2.914 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.077 -4.218 2.470 1.00 0.00 C ATOM 652 CG2 VAL A 40 3.069 -2.916 4.354 1.00 0.00 C ATOM 0 H VAL A 40 5.589 -2.499 3.479 1.00 0.00 H new ATOM 0 HA VAL A 40 4.370 -5.172 3.399 1.00 0.00 H new ATOM 0 HB VAL A 40 3.394 -2.524 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.176 -3.606 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.229 -4.562 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.966 -5.079 3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.170 -2.301 4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.955 -3.781 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.929 -2.329 4.676 1.00 0.00 H new ATOM 662 N ILE A 41 5.093 -3.579 0.575 1.00 0.00 N ATOM 663 CA ILE A 41 5.430 -3.861 -0.848 1.00 0.00 C ATOM 664 C ILE A 41 6.359 -5.074 -0.891 1.00 0.00 C ATOM 665 O ILE A 41 6.288 -5.894 -1.784 1.00 0.00 O ATOM 666 CB ILE A 41 6.137 -2.653 -1.469 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.385 -1.370 -1.098 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.162 -2.810 -2.991 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.570 -0.324 -2.200 1.00 0.00 C ATOM 0 H ILE A 41 5.056 -2.592 0.830 1.00 0.00 H new ATOM 0 HA ILE A 41 4.519 -4.061 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 41 7.158 -2.594 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.325 -1.585 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.756 -0.982 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.665 -1.952 -3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.698 -3.722 -3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.141 -2.868 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.034 0.586 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.631 -0.100 -2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.178 -0.712 -3.140 1.00 0.00 H new ATOM 681 N GLU A 42 7.225 -5.196 0.080 1.00 0.00 N ATOM 682 CA GLU A 42 8.154 -6.358 0.113 1.00 0.00 C ATOM 683 C GLU A 42 7.341 -7.633 0.337 1.00 0.00 C ATOM 684 O GLU A 42 7.635 -8.675 -0.214 1.00 0.00 O ATOM 685 CB GLU A 42 9.154 -6.179 1.259 1.00 0.00 C ATOM 686 CG GLU A 42 10.577 -6.149 0.698 1.00 0.00 C ATOM 687 CD GLU A 42 11.579 -6.108 1.853 1.00 0.00 C ATOM 688 OE1 GLU A 42 11.903 -7.166 2.369 1.00 0.00 O ATOM 689 OE2 GLU A 42 12.005 -5.021 2.204 1.00 0.00 O ATOM 0 H GLU A 42 7.327 -4.538 0.853 1.00 0.00 H new ATOM 0 HA GLU A 42 8.697 -6.427 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.945 -5.254 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.052 -6.994 1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.754 -7.029 0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.709 -5.277 0.057 1.00 0.00 H new ATOM 696 N ASP A 43 6.313 -7.553 1.136 1.00 0.00 N ATOM 697 CA ASP A 43 5.475 -8.757 1.387 1.00 0.00 C ATOM 698 C ASP A 43 4.894 -9.239 0.059 1.00 0.00 C ATOM 699 O ASP A 43 4.940 -10.411 -0.264 1.00 0.00 O ATOM 700 CB ASP A 43 4.338 -8.396 2.344 1.00 0.00 C ATOM 701 CG ASP A 43 3.615 -9.670 2.782 1.00 0.00 C ATOM 702 OD1 ASP A 43 4.196 -10.424 3.545 1.00 0.00 O ATOM 703 OD2 ASP A 43 2.494 -9.871 2.346 1.00 0.00 O ATOM 0 H ASP A 43 6.018 -6.708 1.625 1.00 0.00 H new ATOM 0 HA ASP A 43 6.081 -9.546 1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.734 -7.872 3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.638 -7.718 1.855 1.00 0.00 H new ATOM 708 N ILE A 44 4.355 -8.341 -0.720 1.00 0.00 N ATOM 709 CA ILE A 44 3.780 -8.740 -2.034 1.00 0.00 C ATOM 710 C ILE A 44 4.877 -9.370 -2.890 1.00 0.00 C ATOM 711 O ILE A 44 4.725 -10.455 -3.413 1.00 0.00 O ATOM 712 CB ILE A 44 3.235 -7.505 -2.747 1.00 0.00 C ATOM 713 CG1 ILE A 44 1.997 -6.987 -2.014 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.854 -7.875 -4.180 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.021 -5.458 -1.991 1.00 0.00 C ATOM 0 H ILE A 44 4.288 -7.347 -0.502 1.00 0.00 H new ATOM 0 HA ILE A 44 2.974 -9.457 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 44 4.000 -6.729 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.093 -7.340 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.974 -7.376 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.464 -6.995 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.735 -8.241 -4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.091 -8.653 -4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.139 -5.088 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.918 -5.116 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.023 -5.079 -3.013 1.00 0.00 H new ATOM 727 N HIS A 45 5.986 -8.695 -3.034 1.00 0.00 N ATOM 728 CA HIS A 45 7.093 -9.257 -3.852 1.00 0.00 C ATOM 729 C HIS A 45 7.391 -10.676 -3.367 1.00 0.00 C ATOM 730 O HIS A 45 7.806 -11.531 -4.124 1.00 0.00 O ATOM 731 CB HIS A 45 8.342 -8.387 -3.688 1.00 0.00 C ATOM 732 CG HIS A 45 9.326 -8.706 -4.779 1.00 0.00 C ATOM 733 ND1 HIS A 45 9.857 -9.977 -4.947 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.891 -7.931 -5.763 1.00 0.00 C ATOM 735 CE1 HIS A 45 10.700 -9.930 -5.997 1.00 0.00 C ATOM 736 NE2 HIS A 45 10.755 -8.707 -6.526 1.00 0.00 N ATOM 0 H HIS A 45 6.171 -7.781 -2.621 1.00 0.00 H new ATOM 0 HA HIS A 45 6.806 -9.277 -4.903 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.070 -7.332 -3.727 1.00 0.00 H new ATOM 0 HB3 HIS A 45 8.795 -8.564 -2.713 1.00 0.00 H new ATOM 0 HD1 HIS A 45 9.647 -10.798 -4.379 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.694 -6.881 -5.919 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.261 -10.777 -6.364 1.00 0.00 H new ATOM 745 N ASP A 46 7.171 -10.935 -2.106 1.00 0.00 N ATOM 746 CA ASP A 46 7.428 -12.298 -1.566 1.00 0.00 C ATOM 747 C ASP A 46 6.197 -13.173 -1.801 1.00 0.00 C ATOM 748 O ASP A 46 6.216 -14.364 -1.563 1.00 0.00 O ATOM 749 CB ASP A 46 7.715 -12.210 -0.066 1.00 0.00 C ATOM 750 CG ASP A 46 8.214 -13.566 0.436 1.00 0.00 C ATOM 751 OD1 ASP A 46 9.397 -13.830 0.296 1.00 0.00 O ATOM 752 OD2 ASP A 46 7.405 -14.319 0.954 1.00 0.00 O ATOM 0 H ASP A 46 6.824 -10.259 -1.426 1.00 0.00 H new ATOM 0 HA ASP A 46 8.289 -12.735 -2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.462 -11.441 0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.812 -11.920 0.472 1.00 0.00 H new ATOM 757 N PHE A 47 5.124 -12.595 -2.272 1.00 0.00 N ATOM 758 CA PHE A 47 3.900 -13.398 -2.526 1.00 0.00 C ATOM 759 C PHE A 47 4.033 -14.070 -3.893 1.00 0.00 C ATOM 760 O PHE A 47 3.279 -14.956 -4.242 1.00 0.00 O ATOM 761 CB PHE A 47 2.673 -12.481 -2.507 1.00 0.00 C ATOM 762 CG PHE A 47 1.413 -13.314 -2.441 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.792 -13.744 -3.620 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.867 -13.655 -1.198 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.376 -14.514 -3.556 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.300 -14.427 -1.134 1.00 0.00 C ATOM 767 CZ PHE A 47 -0.922 -14.856 -2.312 1.00 0.00 C ATOM 0 H PHE A 47 5.046 -11.602 -2.491 1.00 0.00 H new ATOM 0 HA PHE A 47 3.781 -14.158 -1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.722 -11.810 -1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.661 -11.856 -3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.214 -13.482 -4.579 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.345 -13.323 -0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.856 -14.844 -4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.720 -14.691 -0.175 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.822 -15.450 -2.262 1.00 0.00 H new ATOM 777 N MET A 48 5.005 -13.658 -4.663 1.00 0.00 N ATOM 778 CA MET A 48 5.212 -14.275 -6.004 1.00 0.00 C ATOM 779 C MET A 48 6.047 -15.542 -5.836 1.00 0.00 C ATOM 780 O MET A 48 5.913 -16.494 -6.580 1.00 0.00 O ATOM 781 CB MET A 48 5.960 -13.296 -6.913 1.00 0.00 C ATOM 782 CG MET A 48 5.287 -11.924 -6.864 1.00 0.00 C ATOM 783 SD MET A 48 6.544 -10.630 -7.025 1.00 0.00 S ATOM 784 CE MET A 48 6.796 -10.778 -8.812 1.00 0.00 C ATOM 0 H MET A 48 5.665 -12.919 -4.420 1.00 0.00 H new ATOM 0 HA MET A 48 4.248 -14.515 -6.451 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.999 -13.213 -6.595 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.969 -13.670 -7.937 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.555 -11.837 -7.667 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.746 -11.806 -5.925 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.847 -10.983 -9.015 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.185 -11.594 -9.199 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.507 -9.846 -9.299 1.00 0.00 H new ATOM 794 N GLN A 49 6.909 -15.559 -4.858 1.00 0.00 N ATOM 795 CA GLN A 49 7.758 -16.760 -4.627 1.00 0.00 C ATOM 796 C GLN A 49 7.233 -17.527 -3.414 1.00 0.00 C ATOM 797 O GLN A 49 7.409 -18.723 -3.298 1.00 0.00 O ATOM 798 CB GLN A 49 9.204 -16.328 -4.370 1.00 0.00 C ATOM 799 CG GLN A 49 9.232 -15.164 -3.374 1.00 0.00 C ATOM 800 CD GLN A 49 9.883 -15.622 -2.067 1.00 0.00 C ATOM 801 OE1 GLN A 49 11.078 -15.491 -1.890 1.00 0.00 O ATOM 802 NE2 GLN A 49 9.140 -16.155 -1.136 1.00 0.00 N ATOM 0 H GLN A 49 7.062 -14.789 -4.206 1.00 0.00 H new ATOM 0 HA GLN A 49 7.724 -17.401 -5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.779 -17.167 -3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.675 -16.028 -5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.788 -14.326 -3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.219 -14.811 -3.183 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.137 -16.265 -1.285 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.562 -16.462 -0.260 1.00 0.00 H new ATOM 811 N GLY A 50 6.583 -16.848 -2.510 1.00 0.00 N ATOM 812 CA GLY A 50 6.045 -17.540 -1.307 1.00 0.00 C ATOM 813 C GLY A 50 5.144 -18.697 -1.744 1.00 0.00 C ATOM 814 O GLY A 50 4.559 -19.381 -0.928 1.00 0.00 O ATOM 0 H GLY A 50 6.402 -15.845 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.864 -17.915 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.481 -16.838 -0.692 1.00 0.00 H new ATOM 818 N GLY A 51 5.030 -18.924 -3.025 1.00 0.00 N ATOM 819 CA GLY A 51 4.168 -20.039 -3.509 1.00 0.00 C ATOM 820 C GLY A 51 2.699 -19.701 -3.247 1.00 0.00 C ATOM 821 O GLY A 51 1.849 -19.889 -4.095 1.00 0.00 O ATOM 0 H GLY A 51 5.496 -18.386 -3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.330 -20.202 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.435 -20.966 -3.001 1.00 0.00 H new ATOM 825 N GLY A 52 2.393 -19.206 -2.079 1.00 0.00 N ATOM 826 CA GLY A 52 0.978 -18.859 -1.763 1.00 0.00 C ATOM 827 C GLY A 52 0.796 -18.832 -0.246 1.00 0.00 C ATOM 828 O GLY A 52 -0.115 -19.428 0.292 1.00 0.00 O ATOM 0 H GLY A 52 3.061 -19.027 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.725 -17.888 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.303 -19.589 -2.210 1.00 0.00 H new ATOM 832 N SER A 53 1.665 -18.149 0.446 1.00 0.00 N ATOM 833 CA SER A 53 1.556 -18.084 1.929 1.00 0.00 C ATOM 834 C SER A 53 0.486 -17.066 2.325 1.00 0.00 C ATOM 835 O SER A 53 0.787 -16.002 2.829 1.00 0.00 O ATOM 836 CB SER A 53 2.901 -17.660 2.518 1.00 0.00 C ATOM 837 OG SER A 53 3.948 -18.141 1.685 1.00 0.00 O ATOM 0 H SER A 53 2.448 -17.632 0.046 1.00 0.00 H new ATOM 0 HA SER A 53 1.279 -19.066 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.952 -16.574 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.011 -18.057 3.527 1.00 0.00 H new ATOM 0 HG SER A 53 4.813 -17.870 2.058 1.00 0.00 H new ATOM 843 N GLY A 54 -0.761 -17.382 2.110 1.00 0.00 N ATOM 844 CA GLY A 54 -1.841 -16.429 2.485 1.00 0.00 C ATOM 845 C GLY A 54 -1.667 -16.025 3.949 1.00 0.00 C ATOM 846 O GLY A 54 -2.387 -15.193 4.465 1.00 0.00 O ATOM 0 H GLY A 54 -1.078 -18.257 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.803 -15.548 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.817 -16.890 2.336 1.00 0.00 H new ATOM 850 N GLY A 55 -0.712 -16.609 4.622 1.00 0.00 N ATOM 851 CA GLY A 55 -0.486 -16.262 6.053 1.00 0.00 C ATOM 852 C GLY A 55 0.539 -15.129 6.145 1.00 0.00 C ATOM 853 O GLY A 55 0.487 -14.304 7.037 1.00 0.00 O ATOM 0 H GLY A 55 -0.079 -17.312 4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.424 -15.957 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.129 -17.136 6.599 1.00 0.00 H new ATOM 857 N LYS A 56 1.468 -15.076 5.228 1.00 0.00 N ATOM 858 CA LYS A 56 2.490 -13.992 5.265 1.00 0.00 C ATOM 859 C LYS A 56 1.842 -12.676 4.841 1.00 0.00 C ATOM 860 O LYS A 56 2.373 -11.607 5.070 1.00 0.00 O ATOM 861 CB LYS A 56 3.638 -14.332 4.310 1.00 0.00 C ATOM 862 CG LYS A 56 4.254 -15.676 4.707 1.00 0.00 C ATOM 863 CD LYS A 56 5.341 -15.449 5.759 1.00 0.00 C ATOM 864 CE LYS A 56 5.317 -16.595 6.773 1.00 0.00 C ATOM 865 NZ LYS A 56 4.249 -16.343 7.781 1.00 0.00 N ATOM 0 H LYS A 56 1.563 -15.736 4.456 1.00 0.00 H new ATOM 0 HA LYS A 56 2.884 -13.896 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.271 -14.377 3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.396 -13.549 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.484 -16.338 5.102 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.678 -16.167 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.319 -15.393 5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.179 -14.498 6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.136 -17.542 6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.285 -16.679 7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.232 -17.121 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.441 -15.448 8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.327 -16.284 7.303 1.00 0.00 H new ATOM 879 N LEU A 57 0.692 -12.746 4.231 1.00 0.00 N ATOM 880 CA LEU A 57 0.006 -11.499 3.800 1.00 0.00 C ATOM 881 C LEU A 57 -0.772 -10.922 4.982 1.00 0.00 C ATOM 882 O LEU A 57 -0.545 -9.805 5.402 1.00 0.00 O ATOM 883 CB LEU A 57 -0.964 -11.812 2.663 1.00 0.00 C ATOM 884 CG LEU A 57 -1.362 -10.508 1.971 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.265 -10.816 0.780 1.00 0.00 C ATOM 886 CD2 LEU A 57 -2.115 -9.614 2.960 1.00 0.00 C ATOM 0 H LEU A 57 0.199 -13.612 4.013 1.00 0.00 H new ATOM 0 HA LEU A 57 0.746 -10.777 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.499 -12.490 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.849 -12.317 3.052 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.465 -9.995 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.548 -9.886 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.732 -11.452 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.161 -11.330 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.399 -8.684 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.011 -10.129 3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.472 -9.391 3.812 1.00 0.00 H new ATOM 898 N GLN A 58 -1.684 -11.678 5.528 1.00 0.00 N ATOM 899 CA GLN A 58 -2.466 -11.169 6.687 1.00 0.00 C ATOM 900 C GLN A 58 -1.499 -10.575 7.712 1.00 0.00 C ATOM 901 O GLN A 58 -1.903 -9.973 8.686 1.00 0.00 O ATOM 902 CB GLN A 58 -3.254 -12.317 7.319 1.00 0.00 C ATOM 903 CG GLN A 58 -4.102 -13.009 6.247 1.00 0.00 C ATOM 904 CD GLN A 58 -4.702 -11.959 5.308 1.00 0.00 C ATOM 905 OE1 GLN A 58 -5.479 -11.125 5.726 1.00 0.00 O ATOM 906 NE2 GLN A 58 -4.371 -11.966 4.045 1.00 0.00 N ATOM 0 H GLN A 58 -1.920 -12.622 5.223 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.166 -10.402 6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.570 -13.033 7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.895 -11.937 8.115 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.489 -13.710 5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.897 -13.588 6.716 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.718 -12.666 3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.765 -11.271 3.411 1.00 0.00 H new ATOM 915 N GLU A 59 -0.222 -10.734 7.491 1.00 0.00 N ATOM 916 CA GLU A 59 0.776 -10.174 8.441 1.00 0.00 C ATOM 917 C GLU A 59 1.006 -8.699 8.110 1.00 0.00 C ATOM 918 O GLU A 59 0.925 -7.842 8.968 1.00 0.00 O ATOM 919 CB GLU A 59 2.093 -10.942 8.316 1.00 0.00 C ATOM 920 CG GLU A 59 3.024 -10.542 9.461 1.00 0.00 C ATOM 921 CD GLU A 59 3.742 -11.783 9.992 1.00 0.00 C ATOM 922 OE1 GLU A 59 3.207 -12.415 10.890 1.00 0.00 O ATOM 923 OE2 GLU A 59 4.815 -12.082 9.493 1.00 0.00 O ATOM 0 H GLU A 59 0.172 -11.229 6.691 1.00 0.00 H new ATOM 0 HA GLU A 59 0.405 -10.268 9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.905 -12.015 8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.564 -10.725 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.752 -9.809 9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.453 -10.070 10.260 1.00 0.00 H new ATOM 930 N MET A 60 1.284 -8.389 6.870 1.00 0.00 N ATOM 931 CA MET A 60 1.505 -6.965 6.497 1.00 0.00 C ATOM 932 C MET A 60 0.153 -6.254 6.433 1.00 0.00 C ATOM 933 O MET A 60 0.066 -5.053 6.594 1.00 0.00 O ATOM 934 CB MET A 60 2.193 -6.881 5.132 1.00 0.00 C ATOM 935 CG MET A 60 1.306 -7.533 4.071 1.00 0.00 C ATOM 936 SD MET A 60 -0.078 -6.435 3.681 1.00 0.00 S ATOM 937 CE MET A 60 -0.353 -7.002 1.985 1.00 0.00 C ATOM 0 H MET A 60 1.367 -9.058 6.105 1.00 0.00 H new ATOM 0 HA MET A 60 2.142 -6.488 7.242 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.383 -5.840 4.872 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.161 -7.381 5.169 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.887 -7.736 3.171 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.933 -8.491 4.433 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.422 -7.007 1.772 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.152 -6.331 1.291 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.045 -8.010 1.869 1.00 0.00 H new ATOM 947 N MET A 61 -0.906 -6.985 6.205 1.00 0.00 N ATOM 948 CA MET A 61 -2.247 -6.340 6.142 1.00 0.00 C ATOM 949 C MET A 61 -2.353 -5.336 7.287 1.00 0.00 C ATOM 950 O MET A 61 -3.015 -4.321 7.180 1.00 0.00 O ATOM 951 CB MET A 61 -3.342 -7.401 6.278 1.00 0.00 C ATOM 952 CG MET A 61 -3.560 -7.728 7.755 1.00 0.00 C ATOM 953 SD MET A 61 -4.741 -6.551 8.464 1.00 0.00 S ATOM 954 CE MET A 61 -5.864 -7.764 9.199 1.00 0.00 C ATOM 0 H MET A 61 -0.900 -7.995 6.061 1.00 0.00 H new ATOM 0 HA MET A 61 -2.372 -5.832 5.186 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.270 -7.039 5.835 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.059 -8.302 5.734 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.935 -8.746 7.862 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.613 -7.679 8.293 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.683 -7.246 9.698 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.266 -8.409 8.417 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.321 -8.369 9.925 1.00 0.00 H new ATOM 964 N LYS A 62 -1.688 -5.603 8.379 1.00 0.00 N ATOM 965 CA LYS A 62 -1.730 -4.656 9.525 1.00 0.00 C ATOM 966 C LYS A 62 -0.941 -3.404 9.142 1.00 0.00 C ATOM 967 O LYS A 62 -1.388 -2.291 9.333 1.00 0.00 O ATOM 968 CB LYS A 62 -1.097 -5.307 10.758 1.00 0.00 C ATOM 969 CG LYS A 62 -1.787 -6.644 11.042 1.00 0.00 C ATOM 970 CD LYS A 62 -1.203 -7.262 12.315 1.00 0.00 C ATOM 971 CE LYS A 62 -2.166 -7.035 13.482 1.00 0.00 C ATOM 972 NZ LYS A 62 -1.732 -7.851 14.651 1.00 0.00 N ATOM 0 H LYS A 62 -1.118 -6.436 8.525 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.762 -4.394 9.758 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.031 -5.464 10.592 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.192 -4.647 11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.860 -6.494 11.158 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.649 -7.322 10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.036 -8.329 12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.234 -6.815 12.537 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.187 -5.979 13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.180 -7.310 13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.387 -7.697 15.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.734 -8.858 14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.772 -7.568 14.934 1.00 0.00 H new ATOM 986 N GLU A 63 0.226 -3.580 8.581 1.00 0.00 N ATOM 987 CA GLU A 63 1.038 -2.408 8.164 1.00 0.00 C ATOM 988 C GLU A 63 0.351 -1.741 6.971 1.00 0.00 C ATOM 989 O GLU A 63 0.529 -0.569 6.710 1.00 0.00 O ATOM 990 CB GLU A 63 2.434 -2.880 7.752 1.00 0.00 C ATOM 991 CG GLU A 63 3.460 -2.408 8.782 1.00 0.00 C ATOM 992 CD GLU A 63 4.760 -3.195 8.605 1.00 0.00 C ATOM 993 OE1 GLU A 63 4.915 -3.818 7.568 1.00 0.00 O ATOM 994 OE2 GLU A 63 5.579 -3.161 9.509 1.00 0.00 O ATOM 0 H GLU A 63 0.650 -4.489 8.395 1.00 0.00 H new ATOM 0 HA GLU A 63 1.127 -1.699 8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.454 -3.967 7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.686 -2.487 6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.649 -1.341 8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.071 -2.550 9.790 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.442 -2.488 6.251 1.00 0.00 N ATOM 1002 CA PHE A 64 -1.159 -1.914 5.080 1.00 0.00 C ATOM 1003 C PHE A 64 -2.241 -0.961 5.587 1.00 0.00 C ATOM 1004 O PHE A 64 -2.222 0.223 5.311 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.814 -3.045 4.282 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.700 -2.769 2.801 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.780 -1.457 2.320 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.511 -3.830 1.905 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.670 -1.206 0.948 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -1.403 -3.579 0.532 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.481 -2.266 0.054 1.00 0.00 C ATOM 0 H PHE A 64 -0.624 -3.476 6.426 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.459 -1.378 4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.334 -3.994 4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.863 -3.138 4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.927 -0.638 3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.449 -4.843 2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.731 -0.193 0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.260 -4.398 -0.158 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.395 -2.071 -1.005 1.00 0.00 H new ATOM 1021 N GLN A 65 -3.183 -1.472 6.332 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.267 -0.602 6.867 1.00 0.00 C ATOM 1023 C GLN A 65 -3.660 0.454 7.790 1.00 0.00 C ATOM 1024 O GLN A 65 -4.345 1.325 8.289 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.263 -1.455 7.653 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.637 -0.781 7.639 1.00 0.00 C ATOM 1027 CD GLN A 65 -7.561 -1.537 6.685 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -8.329 -0.937 5.960 1.00 0.00 O ATOM 1029 NE2 GLN A 65 -7.517 -2.841 6.655 1.00 0.00 N ATOM 0 H GLN A 65 -3.248 -2.456 6.593 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.782 -0.111 6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.330 -2.451 7.215 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.919 -1.581 8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.061 -0.772 8.643 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.542 0.258 7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.872 -3.344 7.264 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.128 -3.357 6.022 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.376 0.391 8.015 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.729 1.400 8.896 1.00 0.00 C ATOM 1040 C GLN A 66 -1.417 2.632 8.056 1.00 0.00 C ATOM 1041 O GLN A 66 -1.405 3.747 8.538 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.430 0.831 9.471 1.00 0.00 C ATOM 1043 CG GLN A 66 -0.754 -0.088 10.650 1.00 0.00 C ATOM 1044 CD GLN A 66 -0.654 0.702 11.956 1.00 0.00 C ATOM 1045 OE1 GLN A 66 0.400 1.195 12.302 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -1.717 0.844 12.701 1.00 0.00 N ATOM 0 H GLN A 66 -1.750 -0.314 7.627 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.393 1.659 9.720 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.109 0.278 8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.222 1.642 9.796 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.757 -0.501 10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.063 -0.931 10.669 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.603 0.430 12.410 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.662 1.369 13.574 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.178 2.431 6.791 1.00 0.00 N ATOM 1056 CA VAL A 67 -0.882 3.575 5.892 1.00 0.00 C ATOM 1057 C VAL A 67 -2.205 4.110 5.345 1.00 0.00 C ATOM 1058 O VAL A 67 -2.456 5.298 5.337 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.008 3.085 4.736 1.00 0.00 C ATOM 1060 CG1 VAL A 67 1.050 4.135 4.393 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.692 1.791 5.146 1.00 0.00 C ATOM 0 H VAL A 67 -1.175 1.516 6.340 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.357 4.363 6.432 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.639 2.911 3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.666 3.775 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.560 5.064 4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.679 4.316 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.316 1.439 4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.315 1.976 6.021 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.054 1.034 5.385 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.053 3.226 4.898 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.374 3.645 4.351 1.00 0.00 C ATOM 1073 C LEU A 68 -5.034 4.653 5.300 1.00 0.00 C ATOM 1074 O LEU A 68 -5.589 5.646 4.876 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.260 2.402 4.212 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.673 2.799 3.777 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.422 3.422 4.956 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.594 3.806 2.628 1.00 0.00 C ATOM 0 H LEU A 68 -2.885 2.220 4.888 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.242 4.118 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.827 1.719 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.301 1.869 5.162 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.208 1.910 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.427 3.703 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.485 2.699 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.888 4.308 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.601 4.087 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.055 4.694 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.069 3.356 1.785 1.00 0.00 H new ATOM 1090 N ASP A 69 -4.979 4.407 6.580 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.610 5.350 7.548 1.00 0.00 C ATOM 1092 C ASP A 69 -4.654 6.509 7.851 1.00 0.00 C ATOM 1093 O ASP A 69 -5.069 7.570 8.274 1.00 0.00 O ATOM 1094 CB ASP A 69 -5.933 4.605 8.845 1.00 0.00 C ATOM 1095 CG ASP A 69 -7.435 4.314 8.910 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -7.969 3.834 7.924 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -8.023 4.571 9.948 1.00 0.00 O ATOM 0 H ASP A 69 -4.525 3.595 6.998 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.527 5.748 7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.369 3.673 8.891 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.631 5.203 9.705 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.379 6.320 7.645 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.412 7.418 7.933 1.00 0.00 C ATOM 1104 C GLU A 70 -2.528 8.506 6.863 1.00 0.00 C ATOM 1105 O GLU A 70 -2.662 9.673 7.169 1.00 0.00 O ATOM 1106 CB GLU A 70 -0.985 6.866 7.945 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.066 7.846 8.677 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.418 7.861 10.165 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -0.901 6.849 10.648 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -0.201 8.881 10.797 1.00 0.00 O ATOM 0 H GLU A 70 -2.966 5.457 7.291 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.642 7.844 8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.964 5.894 8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.634 6.714 6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.976 7.555 8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.174 8.846 8.257 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.477 8.140 5.611 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.584 9.174 4.545 1.00 0.00 C ATOM 1119 C ILE A 71 -3.994 9.771 4.556 1.00 0.00 C ATOM 1120 O ILE A 71 -4.172 10.961 4.390 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.293 8.559 3.172 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.674 7.165 3.338 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.318 9.463 2.416 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -0.857 6.820 2.092 1.00 0.00 C ATOM 0 H ILE A 71 -2.367 7.180 5.283 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.852 9.958 4.737 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.225 8.467 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.037 7.141 4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.458 6.423 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.106 9.032 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.761 10.451 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.391 9.552 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.416 5.830 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.507 6.827 1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.064 7.557 1.961 1.00 0.00 H new ATOM 1136 N LYS A 72 -4.999 8.962 4.759 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.386 9.504 4.787 1.00 0.00 C ATOM 1138 C LYS A 72 -6.400 10.777 5.632 1.00 0.00 C ATOM 1139 O LYS A 72 -7.034 11.756 5.291 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.334 8.471 5.403 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.783 8.882 5.128 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.688 8.343 6.237 1.00 0.00 C ATOM 1143 CE LYS A 72 -11.131 8.776 5.973 1.00 0.00 C ATOM 1144 NZ LYS A 72 -11.332 8.960 4.509 1.00 0.00 N ATOM 0 H LYS A 72 -4.920 7.956 4.906 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.715 9.727 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.138 7.485 4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.163 8.399 6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.860 9.968 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.105 8.494 4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.625 7.256 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.356 8.717 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.823 8.026 6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.346 9.705 6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.341 9.121 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.781 9.780 4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.014 8.107 4.005 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.695 10.772 6.729 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.652 11.981 7.595 1.00 0.00 C ATOM 1160 C GLN A 73 -4.970 13.115 6.830 1.00 0.00 C ATOM 1161 O GLN A 73 -5.369 14.260 6.906 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.858 11.668 8.866 1.00 0.00 C ATOM 1163 CG GLN A 73 -4.579 12.964 9.631 1.00 0.00 C ATOM 1164 CD GLN A 73 -3.825 12.639 10.922 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -2.614 12.727 10.971 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -4.496 12.266 11.978 1.00 0.00 N ATOM 0 H GLN A 73 -5.146 9.980 7.063 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.664 12.279 7.868 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.418 10.976 9.495 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.920 11.177 8.609 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.991 13.644 9.015 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.515 13.472 9.862 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.512 12.192 11.937 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.004 12.048 12.844 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.944 12.802 6.087 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.235 13.859 5.311 1.00 0.00 C ATOM 1177 C GLN A 74 -4.247 14.649 4.482 1.00 0.00 C ATOM 1178 O GLN A 74 -4.050 15.812 4.190 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.215 13.209 4.375 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.183 12.442 5.200 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.208 13.429 5.846 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.269 13.200 6.940 1.00 0.00 O ATOM 1183 NE2 GLN A 74 0.107 14.525 5.212 1.00 0.00 N ATOM 0 H GLN A 74 -3.566 11.860 5.984 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.723 14.530 6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.719 12.533 3.684 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.721 13.971 3.772 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.682 11.852 5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.641 11.743 4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.294 14.716 4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.754 15.191 5.635 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.328 14.030 4.096 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.347 14.751 3.284 1.00 0.00 C ATOM 1194 C LEU A 75 -6.995 15.848 4.132 1.00 0.00 C ATOM 1195 O LEU A 75 -8.042 16.367 3.797 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.421 13.765 2.813 1.00 0.00 C ATOM 1197 CG LEU A 75 -6.871 12.915 1.665 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.450 13.823 0.508 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.661 12.118 2.156 1.00 0.00 C ATOM 0 H LEU A 75 -5.549 13.057 4.308 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.865 15.201 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.727 13.123 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.308 14.307 2.485 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.644 12.228 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.059 13.215 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.313 14.389 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.678 14.513 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.269 11.512 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.889 12.805 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.962 11.468 2.977 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.383 16.207 5.227 1.00 0.00 N ATOM 1212 CA GLN A 76 -6.965 17.272 6.090 1.00 0.00 C ATOM 1213 C GLN A 76 -7.492 18.406 5.209 1.00 0.00 C ATOM 1214 O GLN A 76 -8.598 18.879 5.382 1.00 0.00 O ATOM 1215 CB GLN A 76 -5.884 17.814 7.026 1.00 0.00 C ATOM 1216 CG GLN A 76 -6.500 18.837 7.983 1.00 0.00 C ATOM 1217 CD GLN A 76 -5.426 19.831 8.428 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -4.246 19.562 8.310 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -5.784 20.977 8.940 1.00 0.00 N ATOM 0 H GLN A 76 -5.505 15.809 5.561 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.783 16.859 6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.435 16.997 7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.086 18.278 6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.317 19.364 7.491 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.923 18.330 8.850 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.773 21.204 9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.074 21.645 9.240 1.00 0.00 H new ATOM 1228 N GLY A 77 -6.709 18.846 4.262 1.00 0.00 N ATOM 1229 CA GLY A 77 -7.163 19.949 3.370 1.00 0.00 C ATOM 1230 C GLY A 77 -5.958 20.539 2.636 1.00 0.00 C ATOM 1231 O GLY A 77 -5.726 21.731 2.666 1.00 0.00 O ATOM 0 H GLY A 77 -5.774 18.488 4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.892 19.574 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.661 20.723 3.955 1.00 0.00 H new ATOM 1235 N GLY A 78 -5.188 19.715 1.980 1.00 0.00 N ATOM 1236 CA GLY A 78 -3.998 20.231 1.246 1.00 0.00 C ATOM 1237 C GLY A 78 -3.679 19.307 0.068 1.00 0.00 C ATOM 1238 O GLY A 78 -3.819 19.679 -1.081 1.00 0.00 O ATOM 0 H GLY A 78 -5.331 18.707 1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.190 21.242 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.141 20.289 1.918 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.248 18.106 0.341 1.00 0.00 N ATOM 1243 CA ASP A 79 -2.916 17.161 -0.765 1.00 0.00 C ATOM 1244 C ASP A 79 -4.203 16.666 -1.427 1.00 0.00 C ATOM 1245 O ASP A 79 -4.715 15.614 -1.099 1.00 0.00 O ATOM 1246 CB ASP A 79 -2.146 15.963 -0.202 1.00 0.00 C ATOM 1247 CG ASP A 79 -2.554 15.728 1.254 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -3.744 15.742 1.524 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -1.670 15.540 2.073 1.00 0.00 O ATOM 0 H ASP A 79 -3.111 17.737 1.282 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.303 17.677 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.353 15.073 -0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.073 16.146 -0.265 1.00 0.00 H new ATOM 1254 N ASN A 80 -4.726 17.409 -2.365 1.00 0.00 N ATOM 1255 CA ASN A 80 -5.973 16.968 -3.051 1.00 0.00 C ATOM 1256 C ASN A 80 -5.628 15.865 -4.049 1.00 0.00 C ATOM 1257 O ASN A 80 -6.494 15.210 -4.594 1.00 0.00 O ATOM 1258 CB ASN A 80 -6.602 18.154 -3.787 1.00 0.00 C ATOM 1259 CG ASN A 80 -6.963 19.248 -2.780 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -6.451 20.348 -2.851 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -7.829 18.991 -1.838 1.00 0.00 N ATOM 0 H ASN A 80 -4.345 18.299 -2.685 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.683 16.588 -2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.907 18.544 -4.530 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.494 17.831 -4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.076 19.713 -1.161 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.259 18.068 -1.778 1.00 0.00 H new ATOM 1268 N SER A 81 -4.363 15.635 -4.273 1.00 0.00 N ATOM 1269 CA SER A 81 -3.957 14.556 -5.209 1.00 0.00 C ATOM 1270 C SER A 81 -4.115 13.236 -4.472 1.00 0.00 C ATOM 1271 O SER A 81 -4.568 12.250 -5.017 1.00 0.00 O ATOM 1272 CB SER A 81 -2.498 14.752 -5.622 1.00 0.00 C ATOM 1273 OG SER A 81 -2.423 14.875 -7.036 1.00 0.00 O ATOM 0 H SER A 81 -3.594 16.151 -3.846 1.00 0.00 H new ATOM 0 HA SER A 81 -4.572 14.570 -6.109 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.090 15.643 -5.146 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.896 13.907 -5.286 1.00 0.00 H new ATOM 0 HG SER A 81 -1.489 15.002 -7.304 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.766 13.225 -3.214 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.921 11.988 -2.416 1.00 0.00 C ATOM 1281 C LEU A 82 -5.381 11.564 -2.492 1.00 0.00 C ATOM 1282 O LEU A 82 -5.705 10.398 -2.592 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.542 12.268 -0.967 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.062 11.954 -0.773 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.253 12.622 -1.884 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.598 12.487 0.579 1.00 0.00 C ATOM 0 H LEU A 82 -3.380 14.023 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.276 11.199 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.741 13.311 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.147 11.660 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.913 10.875 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.195 12.399 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.582 12.243 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.404 13.701 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.540 12.262 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.747 13.566 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.175 12.015 1.374 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.266 12.520 -2.458 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.711 12.196 -2.544 1.00 0.00 C ATOM 1300 C HIS A 83 -7.912 11.200 -3.682 1.00 0.00 C ATOM 1301 O HIS A 83 -8.786 10.357 -3.642 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.510 13.468 -2.832 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.977 13.140 -2.881 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.571 12.274 -1.973 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.983 13.548 -3.724 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.878 12.190 -2.286 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -12.177 12.946 -3.343 1.00 0.00 N ATOM 0 H HIS A 83 -6.048 13.513 -2.374 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.055 11.769 -1.602 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.319 14.213 -2.059 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.192 13.903 -3.780 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.865 14.230 -4.553 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.594 11.586 -1.748 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -13.091 13.059 -3.781 1.00 0.00 H new ATOM 1316 N ASN A 84 -7.097 11.290 -4.698 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.228 10.348 -5.843 1.00 0.00 C ATOM 1318 C ASN A 84 -6.294 9.157 -5.625 1.00 0.00 C ATOM 1319 O ASN A 84 -6.562 8.058 -6.070 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.854 11.064 -7.144 1.00 0.00 C ATOM 1321 CG ASN A 84 -6.660 12.556 -6.871 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -5.732 13.161 -7.371 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -7.501 13.179 -6.093 1.00 0.00 N ATOM 0 H ASN A 84 -6.347 11.976 -4.783 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.258 9.997 -5.911 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.939 10.637 -7.556 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.637 10.919 -7.889 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.380 14.174 -5.904 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.280 12.671 -5.673 1.00 0.00 H new ATOM 1330 N VAL A 85 -5.200 9.362 -4.943 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.259 8.242 -4.700 1.00 0.00 C ATOM 1332 C VAL A 85 -4.651 7.525 -3.409 1.00 0.00 C ATOM 1333 O VAL A 85 -4.796 6.319 -3.374 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.848 8.803 -4.559 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.839 7.673 -4.716 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.607 9.862 -5.639 1.00 0.00 C ATOM 0 H VAL A 85 -4.921 10.259 -4.545 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.296 7.539 -5.532 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.733 9.260 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.829 8.071 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.011 6.922 -3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.953 7.217 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.598 10.262 -5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.720 9.409 -6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.331 10.669 -5.525 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.827 8.262 -2.348 1.00 0.00 N ATOM 1347 CA HIS A 86 -5.215 7.629 -1.058 1.00 0.00 C ATOM 1348 C HIS A 86 -6.453 6.759 -1.283 1.00 0.00 C ATOM 1349 O HIS A 86 -6.720 5.835 -0.542 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.525 8.722 -0.030 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.539 8.216 0.960 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -7.893 8.503 0.846 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.415 7.437 2.084 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.523 7.905 1.874 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -7.667 7.245 2.656 1.00 0.00 N ATOM 0 H HIS A 86 -4.719 9.276 -2.319 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.399 7.010 -0.685 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.612 9.016 0.488 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.906 9.610 -0.534 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -8.331 9.065 0.116 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.488 7.035 2.465 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.588 7.953 2.045 1.00 0.00 H new ATOM 1364 N GLU A 87 -7.208 7.049 -2.308 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.426 6.241 -2.590 1.00 0.00 C ATOM 1366 C GLU A 87 -8.021 4.938 -3.282 1.00 0.00 C ATOM 1367 O GLU A 87 -8.738 3.960 -3.252 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.362 7.034 -3.504 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.789 6.967 -2.955 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.682 7.938 -3.730 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -11.320 9.098 -3.823 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -12.712 7.503 -4.217 1.00 0.00 O ATOM 0 H GLU A 87 -7.033 7.812 -2.962 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.938 6.013 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.033 8.071 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.330 6.628 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.176 5.952 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.794 7.220 -1.895 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.873 4.919 -3.903 1.00 0.00 N ATOM 1380 CA ASN A 88 -6.425 3.677 -4.592 1.00 0.00 C ATOM 1381 C ASN A 88 -6.113 2.605 -3.545 1.00 0.00 C ATOM 1382 O ASN A 88 -6.650 1.515 -3.577 1.00 0.00 O ATOM 1383 CB ASN A 88 -5.170 3.977 -5.414 1.00 0.00 C ATOM 1384 CG ASN A 88 -5.567 4.707 -6.700 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -6.735 4.931 -6.948 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -4.638 5.094 -7.531 1.00 0.00 N ATOM 0 H ASN A 88 -6.228 5.707 -3.963 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.212 3.318 -5.255 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.479 4.589 -4.834 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.649 3.050 -5.655 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.893 5.584 -8.388 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.657 4.906 -7.323 1.00 0.00 H new ATOM 1393 N ILE A 89 -5.253 2.910 -2.613 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.905 1.919 -1.555 1.00 0.00 C ATOM 1395 C ILE A 89 -6.165 1.165 -1.128 1.00 0.00 C ATOM 1396 O ILE A 89 -6.192 -0.048 -1.085 1.00 0.00 O ATOM 1397 CB ILE A 89 -4.321 2.657 -0.348 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.954 3.235 -0.722 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.161 1.689 0.830 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.874 2.174 -0.501 1.00 0.00 C ATOM 0 H ILE A 89 -4.774 3.807 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.173 1.211 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.995 3.463 -0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.956 3.556 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.742 4.117 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.745 2.222 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.134 1.278 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.490 0.878 0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.900 2.585 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.867 1.874 0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.084 1.305 -1.125 1.00 0.00 H new ATOM 1412 N LYS A 90 -7.210 1.876 -0.811 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.470 1.207 -0.382 1.00 0.00 C ATOM 1414 C LYS A 90 -8.755 0.004 -1.286 1.00 0.00 C ATOM 1415 O LYS A 90 -8.769 -1.126 -0.842 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.629 2.203 -0.478 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.897 1.573 0.099 1.00 0.00 C ATOM 1418 CD LYS A 90 -12.078 2.525 -0.110 1.00 0.00 C ATOM 1419 CE LYS A 90 -12.825 2.143 -1.390 1.00 0.00 C ATOM 1420 NZ LYS A 90 -13.425 0.789 -1.231 1.00 0.00 N ATOM 0 H LYS A 90 -7.246 2.895 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.364 0.864 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.384 3.115 0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.793 2.487 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.095 0.618 -0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.764 1.369 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.753 2.477 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.722 3.553 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.605 2.875 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.141 2.152 -2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.335 0.752 -1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.781 0.075 -1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.578 0.593 -0.221 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.991 0.240 -2.546 1.00 0.00 N ATOM 1435 CA GLU A 91 -9.287 -0.889 -3.473 1.00 0.00 C ATOM 1436 C GLU A 91 -8.025 -1.723 -3.707 1.00 0.00 C ATOM 1437 O GLU A 91 -8.047 -2.936 -3.627 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.781 -0.332 -4.809 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.924 0.652 -4.556 1.00 0.00 C ATOM 1440 CD GLU A 91 -11.836 0.699 -5.784 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -11.405 0.259 -6.836 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -12.952 1.177 -5.649 1.00 0.00 O ATOM 0 H GLU A 91 -8.992 1.166 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.055 -1.522 -3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.965 0.167 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.121 -1.144 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.493 0.347 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.525 1.645 -4.348 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.928 -1.086 -4.002 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.666 -1.841 -4.251 1.00 0.00 C ATOM 1451 C ILE A 92 -5.369 -2.759 -3.064 1.00 0.00 C ATOM 1452 O ILE A 92 -5.329 -3.967 -3.188 1.00 0.00 O ATOM 1453 CB ILE A 92 -4.513 -0.844 -4.427 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -4.333 -0.529 -5.917 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -3.219 -1.438 -3.860 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -3.523 -1.639 -6.594 1.00 0.00 C ATOM 0 H ILE A 92 -6.849 -0.072 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.774 -2.445 -5.152 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.745 0.075 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.307 -0.434 -6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.824 0.428 -6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.405 -0.725 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.351 -1.651 -2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.980 -2.361 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.400 -1.406 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.543 -1.713 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.049 -2.588 -6.490 1.00 0.00 H new ATOM 1468 N PHE A 93 -5.141 -2.188 -1.918 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.825 -3.007 -0.716 1.00 0.00 C ATOM 1470 C PHE A 93 -5.798 -4.181 -0.616 1.00 0.00 C ATOM 1471 O PHE A 93 -5.397 -5.329 -0.605 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.936 -2.117 0.526 1.00 0.00 C ATOM 1473 CG PHE A 93 -4.944 -2.949 1.787 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.386 -4.234 1.803 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.509 -2.419 2.951 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.397 -4.984 2.982 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.520 -3.169 4.130 1.00 0.00 C ATOM 1478 CZ PHE A 93 -4.964 -4.452 4.147 1.00 0.00 C ATOM 0 H PHE A 93 -5.160 -1.181 -1.760 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.813 -3.405 -0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.101 -1.417 0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.848 -1.523 0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.948 -4.644 0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.938 -1.428 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.968 -5.975 2.995 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.958 -2.758 5.028 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.972 -5.032 5.058 1.00 0.00 H new ATOM 1488 N HIS A 94 -7.071 -3.915 -0.545 1.00 0.00 N ATOM 1489 CA HIS A 94 -8.051 -5.031 -0.446 1.00 0.00 C ATOM 1490 C HIS A 94 -7.965 -5.901 -1.700 1.00 0.00 C ATOM 1491 O HIS A 94 -8.603 -6.931 -1.792 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.466 -4.467 -0.315 1.00 0.00 C ATOM 1493 CG HIS A 94 -10.417 -5.582 0.027 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -11.783 -5.486 -0.202 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.215 -6.824 0.578 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -12.345 -6.640 0.206 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -11.433 -7.486 0.688 1.00 0.00 N ATOM 0 H HIS A 94 -7.474 -2.978 -0.551 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.820 -5.634 0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.494 -3.700 0.459 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.767 -3.990 -1.248 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.258 -7.224 0.879 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.402 -6.854 0.150 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.595 -8.422 1.059 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.179 -5.505 -2.664 1.00 0.00 N ATOM 1507 CA HIS A 95 -7.063 -6.330 -3.899 1.00 0.00 C ATOM 1508 C HIS A 95 -6.111 -7.493 -3.624 1.00 0.00 C ATOM 1509 O HIS A 95 -6.366 -8.620 -4.001 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.527 -5.478 -5.052 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.237 -5.857 -6.324 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -6.558 -6.323 -7.442 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -8.566 -5.846 -6.669 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -7.473 -6.570 -8.399 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.709 -6.296 -7.978 1.00 0.00 N ATOM 0 H HIS A 95 -6.617 -4.654 -2.651 1.00 0.00 H new ATOM 0 HA HIS A 95 -8.044 -6.713 -4.179 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.679 -4.420 -4.839 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.453 -5.630 -5.163 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -9.375 -5.536 -6.024 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -7.236 -6.943 -9.384 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.577 -6.395 -8.505 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.021 -7.234 -2.952 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.069 -8.334 -2.637 1.00 0.00 C ATOM 1526 C LEU A 96 -4.833 -9.443 -1.919 1.00 0.00 C ATOM 1527 O LEU A 96 -4.866 -10.574 -2.362 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.962 -7.810 -1.721 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.608 -8.405 -2.131 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.617 -8.220 -0.984 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.751 -9.902 -2.426 1.00 0.00 C ATOM 0 H LEU A 96 -4.751 -6.312 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.623 -8.714 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.920 -6.722 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.183 -8.070 -0.686 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.253 -7.897 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.349 -8.640 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.502 -7.157 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.989 -8.731 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.783 -10.310 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.109 -10.416 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.463 -10.046 -3.239 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.451 -9.129 -0.813 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.213 -10.174 -0.078 1.00 0.00 C ATOM 1545 C GLU A 97 -7.135 -10.899 -1.057 1.00 0.00 C ATOM 1546 O GLU A 97 -7.731 -11.906 -0.734 1.00 0.00 O ATOM 1547 CB GLU A 97 -7.048 -9.529 1.030 1.00 0.00 C ATOM 1548 CG GLU A 97 -7.542 -10.613 1.989 1.00 0.00 C ATOM 1549 CD GLU A 97 -8.260 -9.960 3.171 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -9.124 -9.133 2.929 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -7.932 -10.296 4.297 1.00 0.00 O ATOM 0 H GLU A 97 -5.461 -8.201 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.517 -10.883 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.451 -8.795 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.895 -8.996 0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.218 -11.292 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.702 -11.209 2.345 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.252 -10.396 -2.255 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.128 -11.062 -3.253 1.00 0.00 C ATOM 1560 C GLU A 98 -7.327 -12.146 -3.971 1.00 0.00 C ATOM 1561 O GLU A 98 -7.852 -13.179 -4.338 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.634 -10.031 -4.267 1.00 0.00 C ATOM 1563 CG GLU A 98 -9.974 -10.493 -4.849 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.689 -9.303 -5.492 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -10.004 -8.420 -5.982 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.909 -9.294 -5.484 1.00 0.00 O ATOM 0 H GLU A 98 -6.779 -9.554 -2.583 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.984 -11.511 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.751 -9.060 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.904 -9.904 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.810 -11.276 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.595 -10.923 -4.063 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.055 -11.928 -4.165 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.225 -12.956 -4.847 1.00 0.00 C ATOM 1575 C LEU A 99 -4.960 -14.102 -3.870 1.00 0.00 C ATOM 1576 O LEU A 99 -4.411 -15.126 -4.228 1.00 0.00 O ATOM 1577 CB LEU A 99 -3.896 -12.336 -5.278 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.047 -11.709 -6.665 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.402 -10.323 -6.670 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.353 -12.597 -7.699 1.00 0.00 C ATOM 0 H LEU A 99 -5.557 -11.084 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.748 -13.331 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.586 -11.579 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.117 -13.098 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.105 -11.618 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.509 -9.875 -7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.893 -9.691 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.344 -10.413 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.459 -12.153 -8.689 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.295 -12.685 -7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.810 -13.586 -7.694 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.347 -13.935 -2.634 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.119 -15.005 -1.625 1.00 0.00 C ATOM 1594 C VAL A 100 -6.458 -15.414 -1.004 1.00 0.00 C ATOM 1595 O VAL A 100 -6.670 -16.559 -0.656 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.169 -14.479 -0.543 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.459 -13.229 -1.061 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -4.955 -14.123 0.717 1.00 0.00 C ATOM 0 H VAL A 100 -5.813 -13.100 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.671 -15.878 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.438 -15.251 -0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.782 -12.851 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.890 -13.479 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.198 -12.464 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.271 -13.750 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.690 -13.353 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.466 -15.011 1.090 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.363 -14.484 -0.861 1.00 0.00 N ATOM 1609 CA HIS A 101 -8.686 -14.814 -0.262 1.00 0.00 C ATOM 1610 C HIS A 101 -9.308 -15.994 -1.012 1.00 0.00 C ATOM 1611 O HIS A 101 -10.150 -16.698 -0.492 1.00 0.00 O ATOM 1612 CB HIS A 101 -9.608 -13.598 -0.369 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.038 -14.032 -0.193 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -11.565 -14.350 1.051 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -12.064 -14.202 -1.090 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -12.855 -14.691 0.870 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -13.205 -14.617 -0.415 1.00 0.00 N ATOM 0 H HIS A 101 -7.242 -13.509 -1.134 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.554 -15.081 0.786 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.345 -12.861 0.390 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.480 -13.116 -1.338 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.995 -14.038 -2.155 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.523 -14.987 1.666 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.119 -14.822 -0.818 1.00 0.00 H new ATOM 1626 N ARG A 102 -8.899 -16.213 -2.231 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.467 -17.346 -3.016 1.00 0.00 C ATOM 1628 C ARG A 102 -9.084 -18.671 -2.354 1.00 0.00 C ATOM 1629 O ARG A 102 -9.294 -19.701 -2.973 1.00 0.00 O ATOM 1630 CB ARG A 102 -8.911 -17.307 -4.440 1.00 0.00 C ATOM 1631 CG ARG A 102 -8.564 -15.864 -4.815 1.00 0.00 C ATOM 1632 CD ARG A 102 -8.300 -15.775 -6.320 1.00 0.00 C ATOM 1633 NE ARG A 102 -6.834 -15.657 -6.560 1.00 0.00 N ATOM 1634 CZ ARG A 102 -6.099 -16.731 -6.647 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -6.648 -17.910 -6.525 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -4.816 -16.627 -6.858 1.00 0.00 N ATOM 1637 OXT ARG A 102 -8.589 -18.633 -1.241 1.00 0.00 O ATOM 0 H ARG A 102 -8.196 -15.657 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.553 -17.258 -3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.024 -17.936 -4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.644 -17.709 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.382 -15.199 -4.539 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.685 -15.535 -4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.692 -16.660 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.819 -14.914 -6.741 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.405 -14.736 -6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.652 -17.991 -6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.073 -18.750 -6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.388 -15.706 -6.955 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.241 -17.466 -6.926 1.00 0.00 H new TER 1651 ARG A 102