USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -78:sc= 1.89 USER MOD Set 1.2: A 57 SER OG : rot -18:sc= 1.19 USER MOD Set 2.1: A 22 THR OG1 : rot -68:sc= 1.22 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.4 K(o=2.6,f=-8!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 176:sc= 2.41 (180deg=1.19) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.947 USER MOD Single : A 1 MET CE :methyl -132:sc= 0 (180deg=-0.271) USER MOD Single : A 1 MET N :NH3+ -165:sc= 2.48 (180deg=2.19) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 1.14 (180deg=0.666) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0.498 (180deg=0.488) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0211 K(o=-0.021,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.74 K(o=1.7,f=-5.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0661 K(o=-0.066,f=-2.6!) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.937 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.148) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.326 X(o=-0.33,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.442 -6.804 -5.309 1.00 9.67 N ATOM 2 CA MET A 1 11.446 -6.768 -3.775 1.00 10.38 C ATOM 3 C MET A 1 10.119 -7.195 -3.207 1.00 9.62 C ATOM 4 O MET A 1 9.095 -6.804 -3.735 1.00 9.62 O ATOM 5 CB MET A 1 11.727 -5.316 -3.189 1.00 13.77 C ATOM 6 CG MET A 1 12.163 -5.213 -1.762 1.00 16.29 C ATOM 7 SD MET A 1 12.407 -3.481 -1.362 1.00 17.17 S ATOM 8 CE MET A 1 10.725 -2.816 -1.111 1.00 16.11 C ATOM 0 H1 MET A 1 12.420 -6.755 -5.660 1.00 9.67 H new ATOM 0 H2 MET A 1 11.001 -7.688 -5.634 1.00 9.67 H new ATOM 0 H3 MET A 1 10.902 -5.993 -5.674 1.00 9.67 H new ATOM 0 HA MET A 1 12.245 -7.452 -3.488 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.492 -4.847 -3.808 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.818 -4.726 -3.305 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.412 -5.651 -1.104 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.087 -5.771 -1.607 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.614 -1.886 -1.669 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.991 -3.541 -1.463 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.564 -2.624 -0.050 1.00 16.11 H new ATOM 20 N GLN A 2 10.192 -7.972 -2.149 1.00 9.27 N ATOM 21 CA GLN A 2 9.017 -8.491 -1.540 1.00 9.07 C ATOM 22 C GLN A 2 8.480 -7.607 -0.445 1.00 8.72 C ATOM 23 O GLN A 2 9.193 -7.201 0.457 1.00 8.22 O ATOM 24 CB GLN A 2 9.407 -9.886 -0.955 1.00 14.46 C ATOM 25 CG GLN A 2 8.225 -10.629 -0.268 1.00 17.01 C ATOM 26 CD GLN A 2 8.358 -12.147 -0.139 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.794 -12.612 0.920 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.223 -12.847 -1.250 1.00 19.49 N ATOM 0 H GLN A 2 11.064 -8.252 -1.700 1.00 9.27 H new ATOM 0 HA GLN A 2 8.222 -8.556 -2.283 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.799 -10.510 -1.758 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.212 -9.755 -0.231 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.093 -10.212 0.730 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.314 -10.412 -0.827 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.856 -12.402 -2.092 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.486 -13.832 -1.267 1.00 19.49 H new ATOM 37 N ILE A 3 7.180 -7.327 -0.412 1.00 5.87 N ATOM 38 CA ILE A 3 6.510 -6.611 0.699 1.00 5.07 C ATOM 39 C ILE A 3 5.235 -7.329 1.060 1.00 4.01 C ATOM 40 O ILE A 3 4.800 -8.185 0.290 1.00 4.61 O ATOM 41 CB ILE A 3 6.225 -5.190 0.404 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.258 -4.954 -0.692 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.540 -4.419 0.195 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.587 -3.551 -0.592 1.00 10.83 C ATOM 0 H ILE A 3 6.542 -7.590 -1.163 1.00 5.87 H new ATOM 0 HA ILE A 3 7.204 -6.612 1.539 1.00 5.07 H new ATOM 0 HB ILE A 3 5.713 -4.800 1.283 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.769 -5.043 -1.651 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.488 -5.726 -0.668 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.319 -3.374 -0.022 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.146 -4.482 1.099 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.088 -4.854 -0.640 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.886 -3.423 -1.417 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.052 -3.470 0.354 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.353 -2.777 -0.644 1.00 10.83 H new ATOM 56 N PHE A 4 4.675 -6.968 2.194 1.00 4.55 N ATOM 57 CA PHE A 4 3.490 -7.575 2.783 1.00 4.68 C ATOM 58 C PHE A 4 2.440 -6.541 3.113 1.00 5.30 C ATOM 59 O PHE A 4 2.775 -5.467 3.572 1.00 5.58 O ATOM 60 CB PHE A 4 3.766 -8.280 4.144 1.00 4.83 C ATOM 61 CG PHE A 4 4.691 -9.420 3.980 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.299 -10.494 3.146 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.813 -9.475 4.735 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.125 -11.591 3.037 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.665 -10.637 4.624 1.00 10.61 C ATOM 66 CZ PHE A 4 6.301 -11.707 3.751 1.00 8.90 C ATOM 0 H PHE A 4 5.048 -6.207 2.762 1.00 4.55 H new ATOM 0 HA PHE A 4 3.165 -8.289 2.026 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.190 -7.564 4.848 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.827 -8.630 4.572 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.366 -10.454 2.603 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.066 -8.668 5.406 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.842 -12.390 2.368 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.576 -10.696 5.201 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.927 -12.581 3.652 1.00 8.90 H new ATOM 76 N VAL A 5 1.157 -6.853 2.944 1.00 4.44 N ATOM 77 CA VAL A 5 0.138 -5.893 3.307 1.00 3.87 C ATOM 78 C VAL A 5 -0.856 -6.539 4.204 1.00 4.93 C ATOM 79 O VAL A 5 -1.336 -7.648 3.874 1.00 6.84 O ATOM 80 CB VAL A 5 -0.539 -5.293 2.057 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.588 -4.160 2.305 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.567 -4.746 1.123 1.00 9.13 C ATOM 0 H VAL A 5 0.813 -7.737 2.569 1.00 4.44 H new ATOM 0 HA VAL A 5 0.607 -5.066 3.840 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.113 -6.112 1.623 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.991 -3.822 1.350 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.398 -4.543 2.926 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.107 -3.324 2.812 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.111 -4.316 0.231 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.137 -3.977 1.645 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.234 -5.558 0.834 1.00 9.13 H new ATOM 92 N LYS A 6 -1.278 -5.831 5.294 1.00 6.04 N ATOM 93 CA LYS A 6 -2.368 -6.306 6.190 1.00 6.12 C ATOM 94 C LYS A 6 -3.669 -5.755 5.654 1.00 6.57 C ATOM 95 O LYS A 6 -3.687 -4.605 5.216 1.00 5.76 O ATOM 96 CB LYS A 6 -2.102 -6.088 7.717 1.00 7.45 C ATOM 97 CG LYS A 6 -1.204 -7.122 8.294 1.00 11.12 C ATOM 98 CD LYS A 6 -1.698 -8.585 8.136 1.00 14.54 C ATOM 99 CE LYS A 6 -1.352 -9.521 9.248 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.751 -10.889 9.026 1.00 20.55 N ATOM 0 H LYS A 6 -0.879 -4.933 5.569 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.422 -7.394 6.165 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.660 -5.103 7.868 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.051 -6.097 8.252 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.224 -7.033 7.825 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.069 -6.913 9.355 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.782 -8.571 8.025 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.288 -8.987 7.209 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.274 -9.492 9.408 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.820 -9.164 10.165 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.414 -11.481 9.812 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.788 -10.944 8.971 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.339 -11.230 8.134 1.00 20.55 H new ATOM 114 N THR A 7 -4.699 -6.598 5.570 1.00 7.41 N ATOM 115 CA THR A 7 -6.028 -6.130 5.102 1.00 7.48 C ATOM 116 C THR A 7 -6.823 -5.753 6.448 1.00 8.75 C ATOM 117 O THR A 7 -6.279 -5.874 7.571 1.00 8.58 O ATOM 118 CB THR A 7 -6.759 -7.137 4.240 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.220 -8.311 4.903 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.836 -7.528 3.062 1.00 9.17 C ATOM 0 H THR A 7 -4.654 -7.588 5.811 1.00 7.41 H new ATOM 0 HA THR A 7 -5.934 -5.274 4.433 1.00 7.48 H new ATOM 0 HB THR A 7 -7.672 -6.640 3.910 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.678 -8.892 4.260 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.344 -8.254 2.427 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.596 -6.640 2.477 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.916 -7.966 3.450 1.00 9.17 H new ATOM 128 N LEU A 8 -8.125 -5.350 6.436 1.00 9.84 N ATOM 129 CA LEU A 8 -8.759 -4.863 7.683 1.00 14.15 C ATOM 130 C LEU A 8 -9.209 -5.950 8.653 1.00 17.37 C ATOM 131 O LEU A 8 -9.432 -5.788 9.892 1.00 17.01 O ATOM 132 CB LEU A 8 -9.998 -3.986 7.357 1.00 16.63 C ATOM 133 CG LEU A 8 -9.620 -2.580 6.812 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.749 -2.004 5.963 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.219 -1.602 7.902 1.00 18.59 C ATOM 0 H LEU A 8 -8.728 -5.353 5.614 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.969 -4.297 8.177 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.617 -4.500 6.622 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.602 -3.871 8.257 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.740 -2.724 6.185 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.461 -1.020 5.593 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.944 -2.666 5.119 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.650 -1.914 6.569 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.968 -0.641 7.454 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.048 -1.472 8.598 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.353 -1.990 8.438 1.00 18.59 H new ATOM 147 N THR A 9 -9.361 -7.168 8.085 1.00 18.33 N ATOM 148 CA THR A 9 -9.712 -8.397 8.813 1.00 19.24 C ATOM 149 C THR A 9 -8.446 -9.056 9.318 1.00 19.48 C ATOM 150 O THR A 9 -8.480 -10.101 10.014 1.00 23.14 O ATOM 151 CB THR A 9 -10.534 -9.399 8.009 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.986 -9.640 6.702 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.906 -8.749 7.797 1.00 19.70 C ATOM 0 H THR A 9 -9.239 -7.321 7.084 1.00 18.33 H new ATOM 0 HA THR A 9 -10.354 -8.089 9.638 1.00 19.24 H new ATOM 0 HB THR A 9 -10.560 -10.346 8.548 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.546 -10.289 6.227 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.543 -9.423 7.224 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.367 -8.549 8.764 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.785 -7.813 7.252 1.00 19.70 H new ATOM 161 N GLY A 10 -7.322 -8.507 8.903 1.00 19.43 N ATOM 162 CA GLY A 10 -6.009 -8.983 9.389 1.00 18.74 C ATOM 163 C GLY A 10 -5.385 -10.060 8.579 1.00 17.62 C ATOM 164 O GLY A 10 -4.507 -10.805 8.995 1.00 19.74 O ATOM 0 H GLY A 10 -7.274 -7.737 8.236 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.325 -8.135 9.425 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.127 -9.342 10.411 1.00 18.74 H new ATOM 168 N LYS A 11 -5.863 -10.245 7.344 1.00 13.56 N ATOM 169 CA LYS A 11 -5.278 -11.209 6.438 1.00 11.91 C ATOM 170 C LYS A 11 -4.078 -10.536 5.820 1.00 10.18 C ATOM 171 O LYS A 11 -4.057 -9.336 5.729 1.00 9.10 O ATOM 172 CB LYS A 11 -6.330 -11.690 5.427 1.00 13.43 C ATOM 173 CG LYS A 11 -5.834 -12.720 4.359 1.00 16.69 C ATOM 174 CD LYS A 11 -6.669 -12.632 3.135 1.00 17.92 C ATOM 175 CE LYS A 11 -6.280 -11.483 2.118 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.083 -11.628 0.876 1.00 21.93 N ATOM 0 H LYS A 11 -6.656 -9.733 6.958 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.944 -12.117 6.940 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.157 -12.138 5.978 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.729 -10.820 4.906 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.791 -12.524 4.111 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.880 -13.729 4.768 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.616 -13.587 2.612 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.707 -12.490 3.435 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.461 -10.507 2.569 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.217 -11.534 1.884 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.693 -11.010 0.136 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.050 -12.617 0.555 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.069 -11.359 1.067 1.00 21.93 H new ATOM 190 N THR A 12 -3.018 -11.375 5.477 1.00 9.63 N ATOM 191 CA THR A 12 -1.892 -10.886 4.716 1.00 9.85 C ATOM 192 C THR A 12 -1.984 -11.064 3.194 1.00 11.66 C ATOM 193 O THR A 12 -2.392 -12.118 2.761 1.00 12.33 O ATOM 194 CB THR A 12 -0.593 -11.542 5.126 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.466 -11.476 6.566 1.00 10.91 O ATOM 196 CG2 THR A 12 0.641 -10.710 4.584 1.00 9.63 C ATOM 0 H THR A 12 -2.963 -12.362 5.730 1.00 9.63 H new ATOM 0 HA THR A 12 -1.916 -9.821 4.948 1.00 9.85 H new ATOM 0 HB THR A 12 -0.601 -12.561 4.739 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.373 -11.901 6.840 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.569 -11.195 4.888 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.597 -10.660 3.496 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.608 -9.701 4.995 1.00 9.63 H new ATOM 204 N ILE A 13 -1.516 -10.122 2.365 1.00 10.42 N ATOM 205 CA ILE A 13 -1.149 -10.371 1.036 1.00 11.84 C ATOM 206 C ILE A 13 0.314 -10.125 0.756 1.00 10.55 C ATOM 207 O ILE A 13 0.868 -9.221 1.340 1.00 11.92 O ATOM 208 CB ILE A 13 -2.007 -9.723 -0.040 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.052 -8.244 0.264 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.381 -10.483 -0.039 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.680 -7.440 -0.845 1.00 16.46 C ATOM 0 H ILE A 13 -1.393 -9.149 2.645 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.348 -11.440 0.958 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.625 -9.800 -1.058 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.612 -8.084 1.185 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.039 -7.883 0.440 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.035 -10.053 -0.798 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.214 -11.537 -0.259 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.849 -10.387 0.941 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.685 -6.385 -0.571 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.106 -7.574 -1.762 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.704 -7.778 -1.005 1.00 16.46 H new ATOM 223 N THR A 14 0.967 -10.899 -0.128 1.00 9.39 N ATOM 224 CA THR A 14 2.402 -10.784 -0.475 1.00 9.63 C ATOM 225 C THR A 14 2.437 -10.111 -1.788 1.00 11.20 C ATOM 226 O THR A 14 1.876 -10.655 -2.724 1.00 11.63 O ATOM 227 CB THR A 14 3.162 -12.169 -0.549 1.00 10.38 C ATOM 228 OG1 THR A 14 3.124 -12.844 0.663 1.00 16.30 O ATOM 229 CG2 THR A 14 4.624 -11.866 -0.977 1.00 11.66 C ATOM 0 H THR A 14 0.499 -11.647 -0.639 1.00 9.39 H new ATOM 0 HA THR A 14 2.920 -10.230 0.308 1.00 9.63 H new ATOM 0 HB THR A 14 2.676 -12.824 -1.272 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.602 -13.695 0.579 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.185 -12.798 -1.040 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.624 -11.376 -1.950 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.090 -11.211 -0.241 1.00 11.66 H new ATOM 237 N LEU A 15 3.173 -9.015 -2.021 1.00 8.29 N ATOM 238 CA LEU A 15 3.390 -8.440 -3.310 1.00 9.03 C ATOM 239 C LEU A 15 4.829 -8.401 -3.756 1.00 8.59 C ATOM 240 O LEU A 15 5.722 -8.300 -2.896 1.00 7.79 O ATOM 241 CB LEU A 15 2.868 -7.008 -3.477 1.00 11.08 C ATOM 242 CG LEU A 15 1.368 -6.852 -3.106 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.044 -5.424 -2.840 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.446 -7.527 -4.103 1.00 15.27 C ATOM 0 H LEU A 15 3.641 -8.503 -1.273 1.00 8.29 H new ATOM 0 HA LEU A 15 2.816 -9.131 -3.928 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.460 -6.338 -2.854 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.014 -6.694 -4.511 1.00 11.08 H new ATOM 0 HG LEU A 15 1.186 -7.389 -2.175 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.011 -5.332 -2.582 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.653 -5.061 -2.012 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.252 -4.832 -3.731 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.590 -7.386 -3.794 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.593 -7.088 -5.090 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.671 -8.593 -4.143 1.00 15.27 H new ATOM 256 N GLU A 16 5.087 -8.370 -5.094 1.00 11.04 N ATOM 257 CA GLU A 16 6.383 -8.056 -5.584 1.00 11.50 C ATOM 258 C GLU A 16 6.524 -6.584 -6.160 1.00 10.13 C ATOM 259 O GLU A 16 5.815 -6.298 -7.097 1.00 9.83 O ATOM 260 CB GLU A 16 6.784 -8.967 -6.751 1.00 17.22 C ATOM 261 CG GLU A 16 8.329 -8.991 -7.100 1.00 23.33 C ATOM 262 CD GLU A 16 9.104 -9.645 -6.000 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.517 -10.566 -5.363 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.252 -9.252 -5.732 1.00 28.86 O ATOM 0 H GLU A 16 4.394 -8.563 -5.817 1.00 11.04 H new ATOM 0 HA GLU A 16 7.016 -8.183 -4.706 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.466 -9.984 -6.521 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.234 -8.654 -7.639 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.488 -9.529 -8.035 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.690 -7.974 -7.252 1.00 23.33 H new ATOM 271 N VAL A 17 7.364 -5.699 -5.593 1.00 8.99 N ATOM 272 CA VAL A 17 7.424 -4.288 -5.811 1.00 8.85 C ATOM 273 C VAL A 17 8.855 -3.926 -6.089 1.00 8.04 C ATOM 274 O VAL A 17 9.811 -4.553 -5.703 1.00 8.99 O ATOM 275 CB VAL A 17 6.905 -3.481 -4.654 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.364 -3.538 -4.517 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.548 -3.792 -3.349 1.00 10.54 C ATOM 0 H VAL A 17 8.066 -6.003 -4.919 1.00 8.99 H new ATOM 0 HA VAL A 17 6.777 -4.048 -6.655 1.00 8.85 H new ATOM 0 HB VAL A 17 7.189 -2.460 -4.910 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.052 -2.936 -3.664 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.903 -3.148 -5.425 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.050 -4.571 -4.366 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.114 -3.164 -2.571 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.383 -4.841 -3.103 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.619 -3.599 -3.416 1.00 10.54 H new ATOM 287 N GLU A 18 9.089 -2.858 -6.815 1.00 7.29 N ATOM 288 CA GLU A 18 10.402 -2.178 -6.924 1.00 7.08 C ATOM 289 C GLU A 18 10.565 -1.200 -5.804 1.00 6.45 C ATOM 290 O GLU A 18 9.603 -0.506 -5.480 1.00 5.28 O ATOM 291 CB GLU A 18 10.665 -1.403 -8.186 1.00 10.28 C ATOM 292 CG GLU A 18 10.894 -2.289 -9.442 1.00 12.65 C ATOM 293 CD GLU A 18 12.044 -3.351 -9.318 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.251 -2.988 -9.075 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.751 -4.535 -9.505 1.00 18.17 O ATOM 0 H GLU A 18 8.362 -2.408 -7.371 1.00 7.29 H new ATOM 0 HA GLU A 18 11.106 -3.010 -6.904 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.822 -0.738 -8.373 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.541 -0.772 -8.036 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.965 -2.810 -9.672 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.113 -1.639 -10.289 1.00 12.65 H new ATOM 302 N PRO A 19 11.793 -0.883 -5.281 1.00 7.24 N ATOM 303 CA PRO A 19 11.922 0.147 -4.259 1.00 7.07 C ATOM 304 C PRO A 19 11.626 1.524 -4.826 1.00 6.65 C ATOM 305 O PRO A 19 11.556 2.513 -4.086 1.00 6.37 O ATOM 306 CB PRO A 19 13.367 -0.062 -3.761 1.00 7.61 C ATOM 307 CG PRO A 19 14.118 -0.639 -5.010 1.00 8.16 C ATOM 308 CD PRO A 19 13.066 -1.554 -5.633 1.00 7.49 C ATOM 0 HA PRO A 19 11.209 0.077 -3.438 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.813 0.874 -3.424 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.403 -0.753 -2.919 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.429 0.149 -5.696 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.016 -1.187 -4.726 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.193 -1.639 -6.712 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.117 -2.564 -5.226 1.00 7.49 H new ATOM 316 N SER A 20 11.537 1.690 -6.139 1.00 6.80 N ATOM 317 CA SER A 20 11.239 2.926 -6.904 1.00 6.28 C ATOM 318 C SER A 20 9.869 2.887 -7.591 1.00 8.45 C ATOM 319 O SER A 20 9.633 3.842 -8.297 1.00 7.26 O ATOM 320 CB SER A 20 12.362 3.010 -7.998 1.00 8.57 C ATOM 321 OG SER A 20 12.356 1.872 -8.900 1.00 11.13 O ATOM 0 H SER A 20 11.682 0.899 -6.767 1.00 6.80 H new ATOM 0 HA SER A 20 11.215 3.784 -6.233 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.233 3.926 -8.575 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.334 3.075 -7.510 1.00 8.57 H new ATOM 0 HG SER A 20 13.072 1.975 -9.561 1.00 11.13 H new ATOM 327 N ASP A 21 8.975 1.914 -7.282 1.00 7.50 N ATOM 328 CA ASP A 21 7.575 2.004 -7.492 1.00 7.70 C ATOM 329 C ASP A 21 7.009 3.101 -6.628 1.00 7.08 C ATOM 330 O ASP A 21 7.418 3.310 -5.498 1.00 8.11 O ATOM 331 CB ASP A 21 6.836 0.785 -7.003 1.00 11.00 C ATOM 332 CG ASP A 21 6.602 -0.319 -8.037 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.351 0.022 -9.198 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.782 -1.519 -7.698 1.00 14.36 O ATOM 0 H ASP A 21 9.257 1.027 -6.866 1.00 7.50 H new ATOM 0 HA ASP A 21 7.451 2.152 -8.565 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.391 0.360 -6.166 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.868 1.103 -6.615 1.00 11.00 H new ATOM 339 N THR A 22 5.924 3.806 -7.145 1.00 5.37 N ATOM 340 CA THR A 22 5.117 4.752 -6.357 1.00 6.01 C ATOM 341 C THR A 22 4.163 4.006 -5.540 1.00 8.01 C ATOM 342 O THR A 22 3.921 2.796 -5.753 1.00 8.11 O ATOM 343 CB THR A 22 4.476 5.897 -7.100 1.00 8.92 C ATOM 344 OG1 THR A 22 3.492 5.393 -8.050 1.00 10.22 O ATOM 345 CG2 THR A 22 5.557 6.735 -7.895 1.00 9.65 C ATOM 0 H THR A 22 5.613 3.714 -8.112 1.00 5.37 H new ATOM 0 HA THR A 22 5.830 5.282 -5.726 1.00 6.01 H new ATOM 0 HB THR A 22 3.993 6.538 -6.363 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.949 4.905 -8.767 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.067 7.554 -8.422 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.290 7.139 -7.197 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.060 6.090 -8.615 1.00 9.65 H new ATOM 353 N ILE A 23 3.645 4.660 -4.459 1.00 8.32 N ATOM 354 CA ILE A 23 2.539 4.150 -3.634 1.00 9.92 C ATOM 355 C ILE A 23 1.308 3.777 -4.495 1.00 10.01 C ATOM 356 O ILE A 23 0.771 2.704 -4.394 1.00 8.71 O ATOM 357 CB ILE A 23 2.240 5.133 -2.515 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.455 5.454 -1.675 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.982 4.790 -1.747 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.984 4.199 -0.952 1.00 12.30 C ATOM 0 H ILE A 23 3.996 5.564 -4.144 1.00 8.32 H new ATOM 0 HA ILE A 23 2.838 3.214 -3.161 1.00 9.92 H new ATOM 0 HB ILE A 23 1.996 6.086 -2.985 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.239 5.869 -2.309 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.201 6.219 -0.941 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.822 5.529 -0.961 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.129 4.792 -2.426 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.087 3.802 -1.300 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.858 4.463 -0.356 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.207 3.800 -0.299 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.261 3.445 -1.688 1.00 12.30 H new ATOM 372 N GLU A 24 1.052 4.631 -5.510 1.00 9.54 N ATOM 373 CA GLU A 24 0.006 4.477 -6.510 1.00 11.81 C ATOM 374 C GLU A 24 0.073 3.175 -7.282 1.00 11.14 C ATOM 375 O GLU A 24 -0.907 2.453 -7.428 1.00 10.62 O ATOM 376 CB GLU A 24 0.013 5.736 -7.404 1.00 19.24 C ATOM 377 CG GLU A 24 -1.099 5.801 -8.487 1.00 27.76 C ATOM 378 CD GLU A 24 -0.902 7.059 -9.385 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.003 7.119 -10.191 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.781 7.966 -9.282 1.00 34.80 O ATOM 0 H GLU A 24 1.601 5.480 -5.649 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.957 4.399 -6.006 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.077 6.614 -6.764 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.981 5.801 -7.900 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.073 4.900 -9.100 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.079 5.835 -8.011 1.00 27.76 H new ATOM 387 N ASN A 25 1.299 2.843 -7.715 1.00 9.43 N ATOM 388 CA ASN A 25 1.642 1.528 -8.292 1.00 10.96 C ATOM 389 C ASN A 25 1.352 0.293 -7.466 1.00 9.68 C ATOM 390 O ASN A 25 0.765 -0.700 -7.894 1.00 9.33 O ATOM 391 CB ASN A 25 3.053 1.386 -8.794 1.00 16.78 C ATOM 392 CG ASN A 25 3.377 2.477 -9.780 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.158 3.417 -9.518 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.788 2.435 -11.003 1.00 24.70 N ATOM 0 H ASN A 25 2.091 3.485 -7.675 1.00 9.43 H new ATOM 0 HA ASN A 25 0.935 1.555 -9.121 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.749 1.427 -7.956 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.180 0.412 -9.266 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.986 3.163 -11.690 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.148 1.676 -11.235 1.00 24.70 H new ATOM 401 N VAL A 26 1.692 0.348 -6.198 1.00 6.52 N ATOM 402 CA VAL A 26 1.386 -0.703 -5.289 1.00 5.53 C ATOM 403 C VAL A 26 -0.083 -0.829 -5.010 1.00 4.42 C ATOM 404 O VAL A 26 -0.591 -1.966 -4.930 1.00 3.40 O ATOM 405 CB VAL A 26 2.213 -0.600 -3.963 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.028 -1.824 -2.931 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.724 -0.553 -4.432 1.00 8.12 C ATOM 0 H VAL A 26 2.191 1.133 -5.778 1.00 6.52 H new ATOM 0 HA VAL A 26 1.687 -1.622 -5.791 1.00 5.53 H new ATOM 0 HB VAL A 26 1.870 0.275 -3.410 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.644 -1.652 -2.048 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.981 -1.895 -2.635 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.333 -2.754 -3.411 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.374 -0.480 -3.560 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.961 -1.461 -4.987 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.879 0.315 -5.073 1.00 8.12 H new ATOM 417 N LYS A 27 -0.861 0.247 -4.876 1.00 2.64 N ATOM 418 CA LYS A 27 -2.321 0.258 -4.772 1.00 4.14 C ATOM 419 C LYS A 27 -3.004 -0.517 -5.922 1.00 5.58 C ATOM 420 O LYS A 27 -3.944 -1.263 -5.704 1.00 4.11 O ATOM 421 CB LYS A 27 -2.916 1.670 -4.689 1.00 3.97 C ATOM 422 CG LYS A 27 -2.526 2.370 -3.441 1.00 7.45 C ATOM 423 CD LYS A 27 -3.050 3.779 -3.519 1.00 9.02 C ATOM 424 CE LYS A 27 -3.278 4.612 -2.234 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.067 5.817 -2.643 1.00 15.47 N ATOM 0 H LYS A 27 -0.467 1.187 -4.835 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.529 -0.251 -3.831 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.586 2.253 -5.549 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.003 1.608 -4.744 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.937 1.857 -2.571 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.442 2.372 -3.327 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.361 4.343 -4.148 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.003 3.738 -4.047 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.817 4.031 -1.486 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.328 4.904 -1.787 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.320 6.369 -1.799 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.496 6.405 -3.283 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.934 5.515 -3.132 1.00 15.47 H new ATOM 439 N ALA A 28 -2.474 -0.336 -7.183 1.00 6.61 N ATOM 440 CA ALA A 28 -2.881 -1.107 -8.336 1.00 7.74 C ATOM 441 C ALA A 28 -2.466 -2.614 -8.324 1.00 9.17 C ATOM 442 O ALA A 28 -3.213 -3.512 -8.758 1.00 11.45 O ATOM 443 CB ALA A 28 -2.253 -0.363 -9.593 1.00 7.68 C ATOM 0 H ALA A 28 -1.755 0.358 -7.390 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.970 -1.150 -8.353 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.523 -0.897 -10.504 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.637 0.656 -9.642 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.168 -0.338 -9.496 1.00 7.68 H new ATOM 449 N LYS A 29 -1.347 -3.002 -7.700 1.00 8.96 N ATOM 450 CA LYS A 29 -1.029 -4.405 -7.251 1.00 7.90 C ATOM 451 C LYS A 29 -2.020 -4.950 -6.222 1.00 6.92 C ATOM 452 O LYS A 29 -2.440 -6.123 -6.278 1.00 6.87 O ATOM 453 CB LYS A 29 0.448 -4.492 -6.698 1.00 10.28 C ATOM 454 CG LYS A 29 1.562 -4.135 -7.745 1.00 14.94 C ATOM 455 CD LYS A 29 2.996 -4.178 -7.240 1.00 19.69 C ATOM 456 CE LYS A 29 4.062 -3.565 -8.138 1.00 22.63 C ATOM 457 NZ LYS A 29 4.002 -3.976 -9.566 1.00 24.98 N ATOM 0 H LYS A 29 -0.601 -2.344 -7.477 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.121 -5.037 -8.134 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.542 -3.821 -5.844 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.625 -5.503 -6.330 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.474 -4.822 -8.587 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.364 -3.134 -8.129 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.031 -3.670 -6.276 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.261 -5.220 -7.061 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.978 -2.480 -8.085 1.00 22.63 H new ATOM 0 HE3 LYS A 29 5.043 -3.828 -7.742 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.766 -3.508 -10.094 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.115 -5.008 -9.635 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.083 -3.701 -9.968 1.00 24.98 H new ATOM 471 N ILE A 30 -2.410 -4.184 -5.217 1.00 4.57 N ATOM 472 CA ILE A 30 -3.377 -4.528 -4.160 1.00 5.58 C ATOM 473 C ILE A 30 -4.721 -4.731 -4.713 1.00 7.26 C ATOM 474 O ILE A 30 -5.445 -5.631 -4.335 1.00 9.46 O ATOM 475 CB ILE A 30 -3.462 -3.512 -3.010 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.096 -3.468 -2.276 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.572 -3.803 -1.954 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.963 -2.326 -1.315 1.00 2.00 C ATOM 0 H ILE A 30 -2.041 -3.240 -5.100 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.991 -5.455 -3.736 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.722 -2.562 -3.476 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.954 -4.404 -1.736 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.298 -3.403 -3.016 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.553 -3.032 -1.184 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.547 -3.804 -2.442 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.394 -4.777 -1.497 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.982 -2.362 -0.841 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.072 -1.384 -1.852 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.738 -2.400 -0.552 1.00 2.00 H new ATOM 490 N GLN A 31 -5.029 -3.867 -5.640 1.00 7.06 N ATOM 491 CA GLN A 31 -6.279 -3.933 -6.393 1.00 8.67 C ATOM 492 C GLN A 31 -6.530 -5.234 -7.146 1.00 10.90 C ATOM 493 O GLN A 31 -7.620 -5.801 -7.203 1.00 9.63 O ATOM 494 CB GLN A 31 -6.306 -2.744 -7.339 1.00 9.12 C ATOM 495 CG GLN A 31 -7.606 -2.677 -8.195 1.00 10.76 C ATOM 496 CD GLN A 31 -7.585 -1.551 -9.233 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.509 -0.996 -9.511 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.782 -1.060 -9.595 1.00 14.76 N ATOM 0 H GLN A 31 -4.426 -3.088 -5.906 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.092 -3.902 -5.667 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.210 -1.825 -6.761 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.443 -2.795 -8.003 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.748 -3.630 -8.705 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.462 -2.538 -7.535 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.635 -1.557 -9.340 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.837 -0.190 -10.125 1.00 14.76 H new ATOM 507 N ASP A 32 -5.465 -5.799 -7.732 1.00 10.93 N ATOM 508 CA ASP A 32 -5.542 -7.126 -8.348 1.00 14.01 C ATOM 509 C ASP A 32 -5.804 -8.211 -7.419 1.00 14.04 C ATOM 510 O ASP A 32 -6.409 -9.185 -7.833 1.00 13.39 O ATOM 511 CB ASP A 32 -4.217 -7.484 -9.047 1.00 18.01 C ATOM 512 CG ASP A 32 -4.114 -6.810 -10.401 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.049 -6.125 -10.913 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.001 -6.971 -10.963 1.00 25.17 O ATOM 0 H ASP A 32 -4.547 -5.359 -7.791 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.379 -7.042 -9.041 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.378 -7.179 -8.421 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.147 -8.565 -9.169 1.00 18.01 H new ATOM 519 N LYS A 33 -5.195 -8.191 -6.230 1.00 14.22 N ATOM 520 CA LYS A 33 -5.588 -9.097 -5.173 1.00 14.00 C ATOM 521 C LYS A 33 -7.014 -8.826 -4.499 1.00 12.37 C ATOM 522 O LYS A 33 -7.879 -9.723 -4.459 1.00 12.17 O ATOM 523 CB LYS A 33 -4.552 -8.869 -4.148 1.00 18.62 C ATOM 524 CG LYS A 33 -3.194 -9.480 -4.513 1.00 24.00 C ATOM 525 CD LYS A 33 -3.205 -10.972 -4.400 1.00 27.61 C ATOM 526 CE LYS A 33 -1.997 -11.757 -4.896 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.202 -13.141 -4.533 1.00 30.06 N ATOM 0 H LYS A 33 -4.434 -7.558 -5.986 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.676 -10.104 -5.581 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.431 -7.796 -3.996 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.889 -9.289 -3.201 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.930 -9.195 -5.531 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.424 -9.072 -3.858 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.351 -11.222 -3.349 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -4.079 -11.337 -4.939 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.890 -11.655 -5.976 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.080 -11.374 -4.448 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.393 -13.708 -4.857 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.288 -13.220 -3.500 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -3.073 -13.492 -4.980 1.00 30.06 H new ATOM 541 N GLU A 34 -7.310 -7.594 -3.955 1.00 10.11 N ATOM 542 CA GLU A 34 -8.367 -7.379 -2.991 1.00 10.07 C ATOM 543 C GLU A 34 -9.555 -6.697 -3.665 1.00 9.32 C ATOM 544 O GLU A 34 -10.570 -6.385 -3.029 1.00 11.61 O ATOM 545 CB GLU A 34 -7.821 -6.575 -1.843 1.00 14.77 C ATOM 546 CG GLU A 34 -6.677 -7.252 -1.023 1.00 18.75 C ATOM 547 CD GLU A 34 -7.086 -8.586 -0.320 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.961 -8.597 0.546 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.467 -9.627 -0.658 1.00 25.19 O ATOM 0 H GLU A 34 -6.801 -6.744 -4.196 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.727 -8.330 -2.598 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.451 -5.626 -2.232 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.641 -6.343 -1.164 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.837 -7.450 -1.689 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.325 -6.550 -0.267 1.00 18.75 H new ATOM 556 N GLY A 35 -9.489 -6.381 -4.982 1.00 7.22 N ATOM 557 CA GLY A 35 -10.530 -5.713 -5.689 1.00 6.29 C ATOM 558 C GLY A 35 -10.968 -4.334 -5.315 1.00 6.93 C ATOM 559 O GLY A 35 -12.006 -3.891 -5.772 1.00 7.41 O ATOM 0 H GLY A 35 -8.681 -6.602 -5.564 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.229 -5.677 -6.736 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.412 -6.352 -5.633 1.00 6.29 H new ATOM 563 N ILE A 36 -10.047 -3.611 -4.642 1.00 5.86 N ATOM 564 CA ILE A 36 -10.292 -2.208 -4.147 1.00 6.07 C ATOM 565 C ILE A 36 -9.712 -1.159 -5.078 1.00 6.36 C ATOM 566 O ILE A 36 -8.533 -1.158 -5.299 1.00 6.18 O ATOM 567 CB ILE A 36 -9.810 -1.967 -2.675 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.214 -3.154 -1.699 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.399 -0.593 -2.242 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.682 -2.884 -0.332 1.00 9.49 C ATOM 0 H ILE A 36 -9.116 -3.965 -4.420 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.377 -2.099 -4.144 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.722 -1.946 -2.621 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.299 -3.256 -1.664 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.817 -4.097 -2.074 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.094 -0.372 -1.219 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.029 0.187 -2.907 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.487 -0.630 -2.296 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.961 -3.700 0.335 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.596 -2.804 -0.373 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.100 -1.950 0.043 1.00 9.49 H new ATOM 582 N PRO A 37 -10.469 -0.202 -5.655 1.00 8.65 N ATOM 583 CA PRO A 37 -9.972 0.905 -6.439 1.00 9.18 C ATOM 584 C PRO A 37 -8.808 1.687 -5.842 1.00 9.85 C ATOM 585 O PRO A 37 -8.815 1.882 -4.633 1.00 8.51 O ATOM 586 CB PRO A 37 -11.236 1.701 -6.816 1.00 11.42 C ATOM 587 CG PRO A 37 -12.440 0.709 -6.717 1.00 9.27 C ATOM 588 CD PRO A 37 -11.934 -0.335 -5.781 1.00 8.33 C ATOM 0 HA PRO A 37 -9.452 0.563 -7.334 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.375 2.547 -6.143 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.151 2.107 -7.824 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.335 1.197 -6.332 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.699 0.289 -7.689 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.407 -0.226 -4.805 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.191 -1.328 -6.150 1.00 8.33 H new ATOM 596 N PRO A 38 -7.786 2.241 -6.548 1.00 8.71 N ATOM 597 CA PRO A 38 -6.655 2.965 -5.854 1.00 9.08 C ATOM 598 C PRO A 38 -7.009 4.087 -4.894 1.00 9.28 C ATOM 599 O PRO A 38 -6.359 4.308 -3.883 1.00 6.50 O ATOM 600 CB PRO A 38 -5.683 3.419 -6.985 1.00 10.31 C ATOM 601 CG PRO A 38 -6.469 3.122 -8.301 1.00 10.81 C ATOM 602 CD PRO A 38 -7.479 2.054 -7.976 1.00 12.00 C ATOM 0 HA PRO A 38 -6.201 2.265 -5.153 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.436 4.477 -6.898 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.743 2.868 -6.949 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.963 4.022 -8.667 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.793 2.787 -9.088 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.374 2.158 -8.589 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.076 1.059 -8.166 1.00 12.00 H new ATOM 610 N ASP A 39 -8.082 4.815 -5.150 1.00 11.20 N ATOM 611 CA ASP A 39 -8.536 6.000 -4.430 1.00 14.96 C ATOM 612 C ASP A 39 -9.544 5.585 -3.349 1.00 13.99 C ATOM 613 O ASP A 39 -9.905 6.466 -2.573 1.00 13.75 O ATOM 614 CB ASP A 39 -9.090 7.111 -5.337 1.00 24.16 C ATOM 615 CG ASP A 39 -8.193 7.330 -6.591 1.00 31.06 C ATOM 616 OD1 ASP A 39 -6.980 7.533 -6.392 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.732 7.539 -7.703 1.00 35.55 O ATOM 0 H ASP A 39 -8.706 4.579 -5.922 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.660 6.447 -3.959 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.101 6.853 -5.653 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.160 8.041 -4.773 1.00 24.16 H new ATOM 622 N GLN A 40 -9.961 4.338 -3.383 1.00 11.60 N ATOM 623 CA GLN A 40 -10.682 3.836 -2.246 1.00 10.76 C ATOM 624 C GLN A 40 -9.660 3.189 -1.238 1.00 8.01 C ATOM 625 O GLN A 40 -10.120 2.530 -0.262 1.00 8.96 O ATOM 626 CB GLN A 40 -11.768 2.839 -2.737 1.00 11.14 C ATOM 627 CG GLN A 40 -13.053 3.641 -3.246 1.00 14.85 C ATOM 628 CD GLN A 40 -14.295 2.726 -3.266 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.893 2.426 -4.309 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.787 2.273 -2.094 1.00 18.16 N ATOM 0 H GLN A 40 -9.820 3.682 -4.151 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.196 4.636 -1.714 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.370 2.223 -3.543 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.047 2.164 -1.928 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.236 4.496 -2.595 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.869 4.035 -4.246 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.316 2.504 -1.220 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.630 1.699 -2.083 1.00 18.16 H new ATOM 639 N GLN A 41 -8.272 3.327 -1.454 1.00 6.52 N ATOM 640 CA GLN A 41 -7.282 2.729 -0.548 1.00 3.87 C ATOM 641 C GLN A 41 -6.492 3.872 0.113 1.00 4.79 C ATOM 642 O GLN A 41 -5.998 4.748 -0.624 1.00 6.34 O ATOM 643 CB GLN A 41 -6.292 1.865 -1.334 1.00 4.20 C ATOM 644 CG GLN A 41 -6.870 0.618 -2.061 1.00 3.20 C ATOM 645 CD GLN A 41 -5.754 0.028 -2.899 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.617 0.164 -2.450 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.040 -0.703 -3.993 1.00 7.13 N ATOM 0 H GLN A 41 -7.868 3.840 -2.237 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.794 2.112 0.190 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.807 2.497 -2.078 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.516 1.528 -0.647 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.236 -0.112 -1.339 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.716 0.897 -2.689 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.004 -0.779 -4.318 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.293 -1.181 -4.497 1.00 7.13 H new ATOM 656 N ARG A 42 -6.381 3.792 1.423 1.00 5.73 N ATOM 657 CA ARG A 42 -5.280 4.335 2.236 1.00 6.97 C ATOM 658 C ARG A 42 -4.300 3.276 2.679 1.00 7.15 C ATOM 659 O ARG A 42 -4.622 2.151 3.098 1.00 7.33 O ATOM 660 CB ARG A 42 -5.800 5.118 3.468 1.00 13.23 C ATOM 661 CG ARG A 42 -6.026 6.645 3.290 1.00 21.27 C ATOM 662 CD ARG A 42 -6.037 7.381 4.641 1.00 26.14 C ATOM 663 NE ARG A 42 -6.394 8.839 4.380 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.669 9.241 4.477 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.687 8.380 4.588 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.923 10.519 4.470 1.00 36.39 N ATOM 0 H ARG A 42 -7.087 3.324 1.992 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.750 5.026 1.580 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.743 4.670 3.780 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.093 4.973 4.285 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.240 7.058 2.657 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.972 6.815 2.775 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.761 6.926 5.317 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.062 7.308 5.123 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.665 9.507 4.132 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.507 7.376 4.601 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.643 8.727 4.659 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.159 11.190 4.392 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.886 10.848 4.543 1.00 36.39 H new ATOM 680 N LEU A 43 -3.025 3.548 2.547 1.00 4.65 N ATOM 681 CA LEU A 43 -2.022 2.613 3.032 1.00 3.51 C ATOM 682 C LEU A 43 -1.235 3.263 4.126 1.00 5.56 C ATOM 683 O LEU A 43 -0.877 4.447 3.994 1.00 4.19 O ATOM 684 CB LEU A 43 -1.063 2.082 1.885 1.00 3.74 C ATOM 685 CG LEU A 43 -1.725 1.594 0.543 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.652 1.211 -0.521 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.537 0.312 0.781 1.00 6.41 C ATOM 0 H LEU A 43 -2.654 4.394 2.115 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.543 1.736 3.416 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.359 2.878 1.641 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.481 1.255 2.291 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.347 2.419 0.195 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.147 0.879 -1.434 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.031 2.079 -0.740 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.027 0.406 -0.134 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.988 -0.012 -0.157 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.879 -0.471 1.157 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.321 0.508 1.512 1.00 6.41 H new ATOM 699 N ILE A 44 -0.916 2.494 5.153 1.00 4.58 N ATOM 700 CA ILE A 44 -0.307 2.909 6.446 1.00 5.55 C ATOM 701 C ILE A 44 0.987 2.122 6.580 1.00 5.46 C ATOM 702 O ILE A 44 1.027 0.912 6.361 1.00 6.04 O ATOM 703 CB ILE A 44 -1.167 2.600 7.698 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.610 3.019 7.497 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.574 3.272 8.934 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.848 4.519 7.206 1.00 13.90 C ATOM 0 H ILE A 44 -1.080 1.488 5.123 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.184 3.992 6.417 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.157 1.521 7.852 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.024 2.439 6.672 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.173 2.749 8.390 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.191 3.044 9.803 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.438 2.901 9.100 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.545 4.351 8.783 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.915 4.700 7.080 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.474 5.115 8.039 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.322 4.800 6.294 1.00 13.90 H new ATOM 718 N PHE A 45 2.110 2.774 6.977 1.00 6.75 N ATOM 719 CA PHE A 45 3.261 2.106 7.542 1.00 4.70 C ATOM 720 C PHE A 45 3.977 3.126 8.433 1.00 6.34 C ATOM 721 O PHE A 45 3.955 4.313 8.105 1.00 5.45 O ATOM 722 CB PHE A 45 4.174 1.607 6.292 1.00 5.51 C ATOM 723 CG PHE A 45 5.607 1.401 6.661 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.936 0.438 7.625 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.566 2.216 6.143 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.244 0.175 7.917 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.942 1.998 6.529 1.00 6.64 C ATOM 728 CZ PHE A 45 8.288 0.904 7.362 1.00 6.84 C ATOM 0 H PHE A 45 2.221 3.785 6.904 1.00 6.75 H new ATOM 0 HA PHE A 45 3.015 1.238 8.153 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.767 0.674 5.902 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.113 2.342 5.489 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.152 -0.098 8.139 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.305 3.009 5.458 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.474 -0.627 8.603 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.711 2.672 6.181 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.319 0.648 7.557 1.00 6.84 H new ATOM 738 N ALA A 46 4.531 2.626 9.528 1.00 6.53 N ATOM 739 CA ALA A 46 5.223 3.353 10.646 1.00 7.15 C ATOM 740 C ALA A 46 4.441 4.610 11.089 1.00 9.00 C ATOM 741 O ALA A 46 5.003 5.669 11.392 1.00 11.15 O ATOM 742 CB ALA A 46 6.676 3.731 10.319 1.00 8.99 C ATOM 0 H ALA A 46 4.521 1.620 9.696 1.00 6.53 H new ATOM 0 HA ALA A 46 5.249 2.643 11.473 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.116 4.253 11.169 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.249 2.827 10.112 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.695 4.381 9.444 1.00 8.99 H new ATOM 748 N GLY A 47 3.110 4.460 11.071 1.00 9.35 N ATOM 749 CA GLY A 47 2.143 5.487 11.497 1.00 11.68 C ATOM 750 C GLY A 47 1.942 6.574 10.488 1.00 11.14 C ATOM 751 O GLY A 47 1.408 7.641 10.787 1.00 13.93 O ATOM 0 H GLY A 47 2.662 3.601 10.752 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.184 5.010 11.701 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.484 5.930 12.433 1.00 11.68 H new ATOM 755 N LYS A 48 2.454 6.441 9.244 1.00 10.47 N ATOM 756 CA LYS A 48 2.387 7.347 8.161 1.00 8.82 C ATOM 757 C LYS A 48 1.391 6.765 7.174 1.00 7.68 C ATOM 758 O LYS A 48 1.564 5.616 6.736 1.00 6.47 O ATOM 759 CB LYS A 48 3.752 7.502 7.494 1.00 9.74 C ATOM 760 CG LYS A 48 4.758 8.204 8.401 1.00 14.14 C ATOM 761 CD LYS A 48 4.593 9.740 8.429 1.00 16.32 C ATOM 762 CE LYS A 48 5.584 10.567 9.227 1.00 20.04 C ATOM 763 NZ LYS A 48 5.600 10.127 10.610 1.00 23.92 N ATOM 0 H LYS A 48 2.969 5.599 8.986 1.00 10.47 H new ATOM 0 HA LYS A 48 2.082 8.335 8.505 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.135 6.519 7.221 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.641 8.069 6.570 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.654 7.817 9.414 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.767 7.961 8.069 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.622 10.094 7.398 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.596 9.958 8.813 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.580 10.472 8.795 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.314 11.622 9.176 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.281 10.699 11.148 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.652 10.240 11.021 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.879 9.126 10.653 1.00 23.92 H new ATOM 777 N GLN A 49 0.392 7.586 6.774 1.00 8.89 N ATOM 778 CA GLN A 49 -0.349 7.273 5.598 1.00 7.18 C ATOM 779 C GLN A 49 0.621 7.550 4.420 1.00 8.23 C ATOM 780 O GLN A 49 1.448 8.464 4.441 1.00 9.70 O ATOM 781 CB GLN A 49 -1.566 8.260 5.396 1.00 11.67 C ATOM 782 CG GLN A 49 -2.647 8.242 6.463 1.00 15.82 C ATOM 783 CD GLN A 49 -3.663 9.340 6.165 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.893 9.923 5.079 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.377 9.811 7.223 1.00 20.67 N ATOM 0 H GLN A 49 0.109 8.440 7.254 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.724 6.251 5.660 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.173 9.274 5.328 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.032 8.033 4.437 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.139 7.270 6.483 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.206 8.396 7.448 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.254 9.396 8.147 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.035 10.579 7.093 1.00 20.67 H new ATOM 794 N LEU A 50 0.489 6.759 3.315 1.00 6.51 N ATOM 795 CA LEU A 50 1.423 6.845 2.166 1.00 7.41 C ATOM 796 C LEU A 50 0.787 7.614 1.011 1.00 8.27 C ATOM 797 O LEU A 50 -0.291 7.264 0.534 1.00 8.34 O ATOM 798 CB LEU A 50 1.825 5.376 1.769 1.00 7.13 C ATOM 799 CG LEU A 50 2.339 4.534 2.943 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.766 3.091 2.406 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.531 5.163 3.700 1.00 9.11 C ATOM 0 H LEU A 50 -0.249 6.064 3.202 1.00 6.51 H new ATOM 0 HA LEU A 50 2.323 7.400 2.432 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.960 4.879 1.330 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.595 5.416 0.999 1.00 7.13 H new ATOM 0 HG LEU A 50 1.518 4.472 3.657 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.132 2.488 3.236 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.903 2.601 1.954 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.554 3.199 1.660 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.833 4.505 4.514 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.367 5.299 3.014 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.235 6.130 4.106 1.00 9.11 H new ATOM 813 N GLU A 51 1.441 8.721 0.579 1.00 9.43 N ATOM 814 CA GLU A 51 1.031 9.576 -0.535 1.00 11.90 C ATOM 815 C GLU A 51 1.367 9.002 -1.857 1.00 11.49 C ATOM 816 O GLU A 51 2.478 8.512 -2.116 1.00 9.88 O ATOM 817 CB GLU A 51 1.453 11.001 -0.385 1.00 16.56 C ATOM 818 CG GLU A 51 0.799 11.715 0.805 1.00 26.06 C ATOM 819 CD GLU A 51 1.322 13.128 0.956 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.539 13.460 0.985 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.464 14.034 0.899 1.00 32.13 O ATOM 0 H GLU A 51 2.301 9.045 1.022 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.058 9.601 -0.492 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.536 11.040 -0.270 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.210 11.541 -1.300 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.282 11.738 0.668 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.993 11.154 1.719 1.00 26.06 H new ATOM 828 N ASP A 52 0.360 9.074 -2.743 1.00 12.71 N ATOM 829 CA ASP A 52 0.273 8.322 -3.939 1.00 16.56 C ATOM 830 C ASP A 52 1.456 8.490 -4.948 1.00 15.83 C ATOM 831 O ASP A 52 1.944 7.523 -5.552 1.00 17.21 O ATOM 832 CB ASP A 52 -1.056 8.608 -4.698 1.00 21.05 C ATOM 833 CG ASP A 52 -1.445 10.022 -5.016 1.00 25.12 C ATOM 834 OD1 ASP A 52 -0.684 10.970 -4.641 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.525 10.269 -5.615 1.00 25.82 O ATOM 0 H ASP A 52 -0.437 9.696 -2.609 1.00 12.71 H new ATOM 0 HA ASP A 52 0.318 7.294 -3.579 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.016 8.062 -5.641 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.865 8.172 -4.112 1.00 21.05 H new ATOM 840 N GLY A 53 1.977 9.688 -5.097 1.00 15.00 N ATOM 841 CA GLY A 53 3.017 10.057 -6.059 1.00 11.77 C ATOM 842 C GLY A 53 4.372 9.857 -5.511 1.00 11.10 C ATOM 843 O GLY A 53 5.340 9.938 -6.237 1.00 11.25 O ATOM 0 H GLY A 53 1.678 10.478 -4.526 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.901 9.462 -6.965 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.892 11.101 -6.345 1.00 11.77 H new ATOM 847 N ARG A 54 4.576 9.565 -4.148 1.00 8.53 N ATOM 848 CA ARG A 54 5.857 9.220 -3.623 1.00 9.05 C ATOM 849 C ARG A 54 6.360 7.796 -3.824 1.00 8.96 C ATOM 850 O ARG A 54 5.542 6.942 -4.026 1.00 11.60 O ATOM 851 CB ARG A 54 6.149 9.645 -2.191 1.00 7.97 C ATOM 852 CG ARG A 54 5.484 11.030 -1.715 1.00 9.62 C ATOM 853 CD ARG A 54 5.935 11.371 -0.301 1.00 12.20 C ATOM 854 NE ARG A 54 5.152 12.622 0.003 1.00 18.23 N ATOM 855 CZ ARG A 54 5.575 13.871 0.043 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.771 14.317 -0.348 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.679 14.833 0.330 1.00 23.38 N ATOM 0 H ARG A 54 3.832 9.580 -3.451 1.00 8.53 H new ATOM 0 HA ARG A 54 6.432 9.853 -4.298 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.810 8.854 -1.522 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.229 9.724 -2.070 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.767 11.831 -2.398 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.397 10.951 -1.749 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.706 10.569 0.401 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.010 11.543 -0.249 1.00 12.20 H new ATOM 0 HE ARG A 54 4.162 12.485 0.205 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.461 13.665 -0.722 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.995 15.309 -0.273 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.706 14.586 0.509 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.973 15.809 0.369 1.00 23.38 H new ATOM 871 N THR A 55 7.676 7.534 -3.792 1.00 9.05 N ATOM 872 CA THR A 55 8.192 6.156 -3.903 1.00 9.03 C ATOM 873 C THR A 55 8.230 5.364 -2.621 1.00 8.15 C ATOM 874 O THR A 55 8.081 5.915 -1.534 1.00 5.91 O ATOM 875 CB THR A 55 9.550 5.960 -4.573 1.00 11.15 C ATOM 876 OG1 THR A 55 10.646 6.436 -3.768 1.00 11.95 O ATOM 877 CG2 THR A 55 9.559 6.614 -5.979 1.00 11.71 C ATOM 0 H THR A 55 8.397 8.248 -3.691 1.00 9.05 H new ATOM 0 HA THR A 55 7.419 5.773 -4.569 1.00 9.03 H new ATOM 0 HB THR A 55 9.700 4.886 -4.684 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.700 7.412 -3.833 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.534 6.465 -6.443 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.788 6.155 -6.599 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.361 7.682 -5.885 1.00 11.71 H new ATOM 885 N LEU A 56 8.465 4.037 -2.679 1.00 6.91 N ATOM 886 CA LEU A 56 8.806 3.109 -1.565 1.00 8.29 C ATOM 887 C LEU A 56 10.107 3.470 -0.878 1.00 8.05 C ATOM 888 O LEU A 56 10.195 3.456 0.327 1.00 10.17 O ATOM 889 CB LEU A 56 8.830 1.621 -1.996 1.00 6.60 C ATOM 890 CG LEU A 56 7.422 0.925 -1.853 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.452 1.429 -2.977 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.525 -0.582 -1.972 1.00 8.64 C ATOM 0 H LEU A 56 8.420 3.542 -3.570 1.00 6.91 H new ATOM 0 HA LEU A 56 7.996 3.233 -0.846 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.162 1.552 -3.032 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.560 1.083 -1.391 1.00 6.60 H new ATOM 0 HG LEU A 56 7.041 1.183 -0.865 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.483 0.941 -2.867 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.326 2.508 -2.892 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.871 1.188 -3.954 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.534 -1.024 -1.868 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.938 -0.843 -2.946 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.177 -0.965 -1.187 1.00 8.64 H new ATOM 904 N SER A 57 11.121 3.867 -1.678 1.00 8.92 N ATOM 905 CA SER A 57 12.393 4.377 -1.221 1.00 9.00 C ATOM 906 C SER A 57 12.351 5.650 -0.459 1.00 9.44 C ATOM 907 O SER A 57 13.041 5.773 0.553 1.00 10.91 O ATOM 908 CB SER A 57 13.506 4.612 -2.273 1.00 10.32 C ATOM 909 OG SER A 57 13.208 5.646 -3.225 1.00 13.59 O ATOM 0 H SER A 57 11.054 3.832 -2.695 1.00 8.92 H new ATOM 0 HA SER A 57 12.641 3.522 -0.593 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.431 4.866 -1.756 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.686 3.680 -2.810 1.00 10.32 H new ATOM 0 HG SER A 57 12.244 5.821 -3.227 1.00 13.59 H new ATOM 915 N ASP A 58 11.527 6.689 -0.827 1.00 9.11 N ATOM 916 CA ASP A 58 11.396 7.939 -0.082 1.00 7.91 C ATOM 917 C ASP A 58 10.748 7.760 1.325 1.00 9.12 C ATOM 918 O ASP A 58 10.978 8.498 2.255 1.00 8.61 O ATOM 919 CB ASP A 58 10.379 8.774 -0.886 1.00 8.41 C ATOM 920 CG ASP A 58 10.944 9.216 -2.270 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.061 9.768 -2.340 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.144 9.024 -3.265 1.00 11.70 O ATOM 0 H ASP A 58 10.941 6.656 -1.661 1.00 9.11 H new ATOM 0 HA ASP A 58 12.388 8.371 0.048 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.470 8.191 -1.036 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.100 9.657 -0.310 1.00 8.41 H new ATOM 927 N TYR A 59 9.849 6.742 1.399 1.00 7.97 N ATOM 928 CA TYR A 59 9.163 6.383 2.638 1.00 8.45 C ATOM 929 C TYR A 59 9.983 5.359 3.477 1.00 10.98 C ATOM 930 O TYR A 59 9.520 5.011 4.558 1.00 12.95 O ATOM 931 CB TYR A 59 7.803 5.695 2.273 1.00 7.94 C ATOM 932 CG TYR A 59 6.718 6.791 2.187 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.315 7.472 3.373 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.033 7.001 0.965 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.284 8.415 3.298 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.928 7.864 0.943 1.00 6.52 C ATOM 937 CZ TYR A 59 4.620 8.611 2.075 1.00 6.76 C ATOM 938 OH TYR A 59 3.695 9.674 2.015 1.00 7.63 O ATOM 0 H TYR A 59 9.592 6.161 0.601 1.00 7.97 H new ATOM 0 HA TYR A 59 9.025 7.295 3.219 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.887 5.167 1.323 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.537 4.954 3.027 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.799 7.263 4.316 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.357 6.503 0.063 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.002 8.986 4.170 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.321 7.948 0.054 1.00 6.52 H new ATOM 0 HH TYR A 59 4.175 10.528 2.046 1.00 7.63 H new ATOM 948 N ASN A 60 11.198 4.915 3.068 1.00 12.38 N ATOM 949 CA ASN A 60 11.963 3.815 3.691 1.00 13.94 C ATOM 950 C ASN A 60 11.122 2.563 3.984 1.00 14.16 C ATOM 951 O ASN A 60 11.154 2.029 5.090 1.00 14.26 O ATOM 952 CB ASN A 60 12.623 4.318 5.040 1.00 19.23 C ATOM 953 CG ASN A 60 13.600 5.511 4.759 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.553 5.380 4.001 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.252 6.680 5.293 1.00 24.09 N ATOM 0 H ASN A 60 11.684 5.328 2.271 1.00 12.38 H new ATOM 0 HA ASN A 60 12.722 3.526 2.964 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.846 4.632 5.737 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.165 3.500 5.514 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.789 7.520 5.076 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.449 6.736 5.919 1.00 24.09 H new ATOM 962 N ILE A 61 10.446 2.019 2.896 1.00 11.08 N ATOM 963 CA ILE A 61 9.779 0.685 2.847 1.00 11.78 C ATOM 964 C ILE A 61 10.885 -0.246 2.199 1.00 13.74 C ATOM 965 O ILE A 61 11.353 -0.119 1.043 1.00 14.60 O ATOM 966 CB ILE A 61 8.427 0.816 2.070 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.454 1.793 2.803 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.740 -0.563 1.889 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.502 2.446 1.676 1.00 11.42 C ATOM 0 H ILE A 61 10.359 2.525 2.015 1.00 11.08 H new ATOM 0 HA ILE A 61 9.471 0.258 3.802 1.00 11.78 H new ATOM 0 HB ILE A 61 8.661 1.219 1.085 1.00 11.80 H new ATOM 0 HG12 ILE A 61 6.861 1.261 3.547 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.011 2.566 3.333 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.804 -0.435 1.345 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.398 -1.226 1.327 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.535 -0.998 2.867 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.803 3.138 2.146 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.113 2.984 0.951 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.946 1.658 1.169 1.00 11.42 H new ATOM 981 N GLN A 62 11.193 -1.290 2.946 1.00 13.97 N ATOM 982 CA GLN A 62 12.214 -2.226 2.529 1.00 15.52 C ATOM 983 C GLN A 62 11.604 -3.691 2.413 1.00 13.94 C ATOM 984 O GLN A 62 10.382 -3.876 2.461 1.00 12.15 O ATOM 985 CB GLN A 62 13.391 -2.275 3.606 1.00 19.53 C ATOM 986 CG GLN A 62 13.911 -0.915 4.220 1.00 26.38 C ATOM 987 CD GLN A 62 14.887 -1.209 5.365 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.524 -1.101 6.574 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.030 -1.797 4.984 1.00 32.71 N ATOM 0 H GLN A 62 10.752 -1.508 3.839 1.00 13.97 H new ATOM 0 HA GLN A 62 12.596 -1.896 1.563 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.059 -2.905 4.431 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.242 -2.776 3.144 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.405 -0.322 3.450 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.071 -0.325 4.587 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.269 -1.854 3.994 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.661 -2.187 5.684 1.00 32.71 H new ATOM 998 N LYS A 63 12.502 -4.691 2.124 1.00 11.73 N ATOM 999 CA LYS A 63 12.075 -6.095 1.936 1.00 11.97 C ATOM 1000 C LYS A 63 11.398 -6.712 3.147 1.00 10.41 C ATOM 1001 O LYS A 63 11.841 -6.601 4.280 1.00 9.59 O ATOM 1002 CB LYS A 63 13.262 -6.940 1.468 1.00 13.73 C ATOM 1003 CG LYS A 63 14.445 -6.932 2.390 1.00 16.98 C ATOM 1004 CD LYS A 63 15.609 -7.762 1.836 1.00 20.19 C ATOM 1005 CE LYS A 63 16.908 -7.560 2.512 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.741 -7.826 3.926 1.00 25.97 N ATOM 0 H LYS A 63 13.505 -4.540 2.021 1.00 11.73 H new ATOM 0 HA LYS A 63 11.305 -6.083 1.165 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.928 -7.969 1.338 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.580 -6.582 0.489 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.775 -5.905 2.548 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.150 -7.325 3.363 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.344 -8.817 1.902 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.729 -7.529 0.778 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.662 -8.224 2.089 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.260 -6.540 2.358 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.674 -7.955 4.367 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.253 -7.024 4.375 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.176 -8.690 4.052 1.00 25.97 H new ATOM 1020 N GLU A 64 10.201 -7.303 2.950 1.00 10.04 N ATOM 1021 CA GLU A 64 9.386 -8.057 3.880 1.00 10.94 C ATOM 1022 C GLU A 64 8.806 -7.023 4.849 1.00 9.74 C ATOM 1023 O GLU A 64 8.548 -7.318 5.998 1.00 9.42 O ATOM 1024 CB GLU A 64 10.144 -9.194 4.609 1.00 18.31 C ATOM 1025 CG GLU A 64 10.548 -10.368 3.713 1.00 24.16 C ATOM 1026 CD GLU A 64 11.151 -11.482 4.492 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.375 -11.399 4.815 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.426 -12.425 4.822 1.00 32.61 O ATOM 0 H GLU A 64 9.750 -7.248 2.037 1.00 10.04 H new ATOM 0 HA GLU A 64 8.603 -8.594 3.344 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.041 -8.779 5.068 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.517 -9.570 5.418 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.672 -10.733 3.177 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.260 -10.023 2.963 1.00 24.16 H new ATOM 1035 N SER A 65 8.666 -5.756 4.414 1.00 6.85 N ATOM 1036 CA SER A 65 8.055 -4.763 5.242 1.00 6.90 C ATOM 1037 C SER A 65 6.506 -4.911 5.232 1.00 4.72 C ATOM 1038 O SER A 65 5.920 -4.938 4.122 1.00 3.91 O ATOM 1039 CB SER A 65 8.522 -3.368 4.824 1.00 7.28 C ATOM 1040 OG SER A 65 8.049 -2.322 5.622 1.00 10.56 O ATOM 0 H SER A 65 8.972 -5.423 3.500 1.00 6.85 H new ATOM 0 HA SER A 65 8.371 -4.911 6.275 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.612 -3.348 4.834 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.209 -3.190 3.795 1.00 7.28 H new ATOM 0 HG SER A 65 8.397 -1.470 5.285 1.00 10.56 H new ATOM 1046 N THR A 66 5.836 -4.917 6.412 1.00 4.48 N ATOM 1047 CA THR A 66 4.378 -4.965 6.564 1.00 3.80 C ATOM 1048 C THR A 66 3.583 -3.665 6.525 1.00 4.60 C ATOM 1049 O THR A 66 3.639 -2.884 7.416 1.00 5.33 O ATOM 1050 CB THR A 66 3.979 -5.805 7.833 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.591 -7.077 7.779 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.459 -6.063 7.853 1.00 3.40 C ATOM 0 H THR A 66 6.322 -4.887 7.308 1.00 4.48 H new ATOM 0 HA THR A 66 4.077 -5.448 5.634 1.00 3.80 H new ATOM 0 HB THR A 66 4.295 -5.241 8.711 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.340 -7.595 8.572 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.200 -6.645 8.737 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.929 -5.111 7.877 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.172 -6.615 6.958 1.00 3.40 H new ATOM 1060 N LEU A 67 2.876 -3.446 5.435 1.00 4.17 N ATOM 1061 CA LEU A 67 1.981 -2.395 5.294 1.00 3.85 C ATOM 1062 C LEU A 67 0.636 -2.716 5.995 1.00 3.80 C ATOM 1063 O LEU A 67 0.369 -3.822 6.385 1.00 5.54 O ATOM 1064 CB LEU A 67 1.706 -1.956 3.797 1.00 7.18 C ATOM 1065 CG LEU A 67 2.924 -1.991 2.802 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.412 -1.523 1.451 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.036 -0.933 3.230 1.00 11.66 C ATOM 0 H LEU A 67 2.937 -4.040 4.608 1.00 4.17 H new ATOM 0 HA LEU A 67 2.469 -1.548 5.776 1.00 3.85 H new ATOM 0 HB2 LEU A 67 0.923 -2.599 3.395 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.310 -0.941 3.810 1.00 7.18 H new ATOM 0 HG LEU A 67 3.343 -2.997 2.790 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.229 -1.532 0.729 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.620 -2.190 1.111 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.020 -0.510 1.542 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.868 -0.976 2.527 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.607 0.069 3.224 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.395 -1.168 4.232 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.221 -1.701 6.062 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.649 -1.841 6.428 1.00 4.17 C ATOM 1081 C HIS A 68 -2.547 -1.164 5.390 1.00 5.32 C ATOM 1082 O HIS A 68 -2.403 0.004 5.176 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.996 -1.409 7.868 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.831 -2.571 8.849 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.898 -3.199 9.451 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.740 -3.026 9.482 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -2.436 -4.042 10.365 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.125 -3.982 10.430 1.00 16.30 N ATOM 0 H HIS A 68 0.050 -0.738 5.862 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.849 -2.912 6.418 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.352 -0.582 8.168 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -3.022 -1.043 7.903 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.274 -2.706 9.291 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -3.052 -4.689 10.972 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.514 -4.521 11.044 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.580 -1.871 4.872 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.494 -1.396 3.880 1.00 3.97 C ATOM 1098 C LEU A 69 -5.768 -0.974 4.551 1.00 5.07 C ATOM 1099 O LEU A 69 -6.429 -1.821 5.141 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.796 -2.492 2.867 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.047 -2.441 1.987 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.027 -1.385 0.879 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.224 -3.775 1.251 1.00 9.96 C ATOM 0 H LEU A 69 -3.783 -2.826 5.166 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.046 -0.550 3.358 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.938 -2.550 2.197 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.834 -3.432 3.418 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.846 -2.203 2.689 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.958 -1.432 0.314 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.921 -0.395 1.322 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.187 -1.575 0.210 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.117 -3.731 0.627 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.352 -3.963 0.625 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.329 -4.580 1.978 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.222 0.260 4.332 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.433 0.806 4.931 1.00 6.26 C ATOM 1117 C VAL A 70 -8.301 1.208 3.824 1.00 9.22 C ATOM 1118 O VAL A 70 -7.887 1.908 2.900 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.116 2.028 5.751 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.329 2.446 6.627 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.926 1.718 6.658 1.00 8.54 C ATOM 0 H VAL A 70 -5.745 0.920 3.719 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.900 0.065 5.580 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.882 2.850 5.075 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.070 3.331 7.208 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.181 2.669 5.985 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.588 1.631 7.303 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.687 2.596 7.257 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.177 0.887 7.317 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.064 1.449 6.048 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.614 0.869 3.974 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.642 1.406 3.149 1.00 16.06 C ATOM 1133 C LEU A 71 -10.711 2.972 3.296 1.00 18.09 C ATOM 1134 O LEU A 71 -10.765 3.538 4.405 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.040 0.760 3.400 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.214 -0.589 2.750 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.313 -1.353 3.457 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -12.576 -0.380 1.220 1.00 19.57 C ATOM 0 H LEU A 71 -9.949 0.214 4.680 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.374 1.156 2.122 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.195 0.658 4.474 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.813 1.434 3.029 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.291 -1.164 2.823 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.439 -2.328 2.987 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.046 -1.487 4.505 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -14.246 -0.794 3.389 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -12.704 -1.350 0.741 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.502 0.189 1.140 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -11.771 0.165 0.727 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.720 3.681 2.197 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.855 5.171 2.190 1.00 25.83 C ATOM 1152 C ARG A 72 -12.223 5.555 1.688 1.00 27.74 C ATOM 1153 O ARG A 72 -12.606 5.327 0.533 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.750 5.818 1.275 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.567 7.325 1.262 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.525 7.752 0.227 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.095 9.223 0.673 1.00 35.08 N ATOM 1158 CZ ARG A 72 -6.807 9.648 0.683 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -5.820 8.868 0.220 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -6.573 10.782 1.354 1.00 35.02 N ATOM 0 H ARG A 72 -10.636 3.272 1.267 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.726 5.540 3.207 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.794 5.377 1.559 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.953 5.507 0.250 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.520 7.807 1.042 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.260 7.664 2.251 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.671 7.074 0.221 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.942 7.749 -0.780 1.00 34.05 H new ATOM 0 HE ARG A 72 -8.824 9.875 0.964 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.033 7.940 -0.147 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -4.856 9.202 0.234 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -7.341 11.269 1.817 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -5.627 11.160 1.403 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.001 6.177 2.545 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.186 6.925 2.088 1.00 30.76 C ATOM 1176 C LEU A 73 -13.727 8.247 1.502 1.00 32.18 C ATOM 1177 O LEU A 73 -12.699 8.747 1.925 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.171 7.149 3.224 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.966 5.830 3.583 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.527 5.871 4.989 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.023 5.656 2.475 1.00 29.11 C ATOM 0 H LEU A 73 -12.851 6.190 3.554 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.707 6.345 1.326 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.635 7.501 4.105 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.875 7.933 2.945 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.318 4.954 3.603 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.065 4.945 5.193 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.711 5.981 5.703 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.209 6.716 5.084 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.608 4.757 2.668 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.684 6.523 2.463 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.526 5.565 1.509 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.476 8.826 0.553 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.256 10.133 -0.058 1.00 35.33 C ATOM 1195 C ARG A 74 -14.188 11.287 0.919 1.00 36.22 C ATOM 1196 O ARG A 74 -13.308 12.162 0.813 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.275 10.455 -1.174 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.345 9.433 -2.312 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.231 9.792 -3.494 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.655 9.722 -3.173 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.524 8.745 -3.519 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.254 7.820 -4.446 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -19.627 8.625 -2.795 1.00 41.93 N ATOM 0 H ARG A 74 -15.300 8.361 0.172 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.265 10.035 -0.501 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.264 10.543 -0.725 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.030 11.429 -1.597 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.334 9.265 -2.682 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.694 8.487 -1.899 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.988 10.799 -3.832 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.016 9.117 -4.322 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.036 10.495 -2.628 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.356 7.830 -4.930 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -18.946 7.104 -4.669 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -19.794 9.256 -2.011 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -20.309 7.901 -3.021 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.088 11.317 1.878 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.134 12.439 2.815 1.00 36.07 C ATOM 1219 C GLY A 75 -14.418 12.264 4.177 1.00 36.16 C ATOM 1220 O GLY A 75 -14.365 13.163 4.997 1.00 36.26 O ATOM 0 H GLY A 75 -15.791 10.595 2.036 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -14.704 13.309 2.319 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.181 12.669 3.013 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.797 11.084 4.371 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.956 10.828 5.576 1.00 36.19 C ATOM 1226 C GLY A 76 -11.547 10.363 5.109 1.00 36.20 C ATOM 1227 O GLY A 76 -11.137 9.194 5.317 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.849 11.216 4.541 1.00 0.00 O ATOM 0 H GLY A 76 -13.855 10.298 3.724 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.875 11.732 6.180 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.417 10.066 6.204 1.00 36.19 H new TER 1232 GLY A 76