USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 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 NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0563 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 41:sc= 0.918 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 16 LYS NZ :NH3+ -128:sc= -1.55 (180deg=-2.83!) USER MOD Single : A 23 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 27 THR OG1 : rot 101:sc= 1.16 USER MOD Single : A 29 SER OG : rot 18:sc= 0.132 USER MOD Single : A 30 MET CE :methyl -155:sc= -0.411 (180deg=-1.46) USER MOD Single : A 32 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.0019) USER MOD Single : A 39 HIS : no HD1:sc= -1.84! K(o=-1.8!,f=-1.1) USER MOD Single : A 42 GLN : amide:sc= -5.86! C(o=-5.9!,f=-8.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.53! K(o=-1.5!,f=-0.42) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 47:sc= 0.894 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0683 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.712 28.823 -10.816 1.00 0.00 N ATOM 2 CA GLY A 1 18.954 27.722 -9.903 1.00 0.00 C ATOM 3 C GLY A 1 17.685 27.241 -9.227 1.00 0.00 C ATOM 4 O GLY A 1 16.583 27.466 -9.727 1.00 0.00 O ATOM 0 H1 GLY A 1 19.126 28.602 -11.744 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.688 28.969 -10.920 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.149 29.689 -10.439 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.408 26.895 -10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.671 28.034 -9.144 1.00 0.00 H new ATOM 8 N SER A 2 17.840 26.575 -8.087 1.00 0.00 N ATOM 9 CA SER A 2 16.698 26.056 -7.343 1.00 0.00 C ATOM 10 C SER A 2 16.609 26.700 -5.963 1.00 0.00 C ATOM 11 O SER A 2 17.349 26.337 -5.048 1.00 0.00 O ATOM 12 CB SER A 2 16.801 24.536 -7.203 1.00 0.00 C ATOM 13 OG SER A 2 15.655 24.004 -6.564 1.00 0.00 O ATOM 0 H SER A 2 18.745 26.382 -7.658 1.00 0.00 H new ATOM 0 HA SER A 2 15.793 26.302 -7.898 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.915 24.084 -8.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.692 24.280 -6.630 1.00 0.00 H new ATOM 0 HG SER A 2 15.745 23.031 -6.488 1.00 0.00 H new ATOM 19 N SER A 3 15.700 27.659 -5.821 1.00 0.00 N ATOM 20 CA SER A 3 15.516 28.358 -4.555 1.00 0.00 C ATOM 21 C SER A 3 14.049 28.719 -4.341 1.00 0.00 C ATOM 22 O SER A 3 13.441 29.402 -5.164 1.00 0.00 O ATOM 23 CB SER A 3 16.376 29.622 -4.516 1.00 0.00 C ATOM 24 OG SER A 3 17.753 29.301 -4.418 1.00 0.00 O ATOM 0 H SER A 3 15.079 27.970 -6.568 1.00 0.00 H new ATOM 0 HA SER A 3 15.828 27.691 -3.752 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.200 30.213 -5.415 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.082 30.239 -3.667 1.00 0.00 H new ATOM 0 HG SER A 3 18.281 30.127 -4.397 1.00 0.00 H new ATOM 30 N GLY A 4 13.488 28.255 -3.229 1.00 0.00 N ATOM 31 CA GLY A 4 12.097 28.539 -2.926 1.00 0.00 C ATOM 32 C GLY A 4 11.731 28.187 -1.498 1.00 0.00 C ATOM 33 O GLY A 4 12.586 28.187 -0.613 1.00 0.00 O ATOM 0 H GLY A 4 13.971 27.688 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.900 29.597 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.458 27.980 -3.610 1.00 0.00 H new ATOM 37 N SER A 5 10.456 27.888 -1.272 1.00 0.00 N ATOM 38 CA SER A 5 9.977 27.538 0.060 1.00 0.00 C ATOM 39 C SER A 5 10.342 26.098 0.407 1.00 0.00 C ATOM 40 O SER A 5 9.577 25.170 0.143 1.00 0.00 O ATOM 41 CB SER A 5 8.461 27.726 0.146 1.00 0.00 C ATOM 42 OG SER A 5 7.790 26.893 -0.782 1.00 0.00 O ATOM 0 H SER A 5 9.736 27.881 -1.994 1.00 0.00 H new ATOM 0 HA SER A 5 10.460 28.201 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.120 27.499 1.156 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.209 28.769 -0.048 1.00 0.00 H new ATOM 0 HG SER A 5 8.215 26.010 -0.796 1.00 0.00 H new ATOM 48 N SER A 6 11.518 25.919 1.001 1.00 0.00 N ATOM 49 CA SER A 6 11.987 24.592 1.382 1.00 0.00 C ATOM 50 C SER A 6 11.602 24.272 2.823 1.00 0.00 C ATOM 51 O SER A 6 11.461 25.168 3.653 1.00 0.00 O ATOM 52 CB SER A 6 13.505 24.498 1.215 1.00 0.00 C ATOM 53 OG SER A 6 13.880 24.659 -0.142 1.00 0.00 O ATOM 0 H SER A 6 12.163 26.676 1.229 1.00 0.00 H new ATOM 0 HA SER A 6 11.510 23.863 0.727 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.989 25.263 1.822 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.855 23.532 1.580 1.00 0.00 H new ATOM 0 HG SER A 6 14.855 24.597 -0.222 1.00 0.00 H new ATOM 59 N GLY A 7 11.434 22.985 3.112 1.00 0.00 N ATOM 60 CA GLY A 7 11.067 22.568 4.453 1.00 0.00 C ATOM 61 C GLY A 7 9.633 22.083 4.537 1.00 0.00 C ATOM 62 O GLY A 7 9.103 21.527 3.576 1.00 0.00 O ATOM 0 H GLY A 7 11.545 22.224 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.736 21.772 4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.206 23.402 5.141 1.00 0.00 H new ATOM 66 N GLU A 8 9.005 22.293 5.690 1.00 0.00 N ATOM 67 CA GLU A 8 7.625 21.870 5.895 1.00 0.00 C ATOM 68 C GLU A 8 6.688 22.581 4.923 1.00 0.00 C ATOM 69 O GLU A 8 6.688 23.809 4.830 1.00 0.00 O ATOM 70 CB GLU A 8 7.192 22.150 7.336 1.00 0.00 C ATOM 71 CG GLU A 8 8.077 21.487 8.378 1.00 0.00 C ATOM 72 CD GLU A 8 8.306 20.015 8.098 1.00 0.00 C ATOM 73 OE1 GLU A 8 7.484 19.191 8.551 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.306 19.686 7.426 1.00 0.00 O ATOM 0 H GLU A 8 9.430 22.753 6.495 1.00 0.00 H new ATOM 0 HA GLU A 8 7.568 20.798 5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.192 23.227 7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.166 21.807 7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.038 22.000 8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.620 21.599 9.361 1.00 0.00 H new ATOM 81 N ASP A 9 5.891 21.801 4.202 1.00 0.00 N ATOM 82 CA ASP A 9 4.948 22.354 3.237 1.00 0.00 C ATOM 83 C ASP A 9 3.520 22.276 3.766 1.00 0.00 C ATOM 84 O ASP A 9 3.154 21.360 4.503 1.00 0.00 O ATOM 85 CB ASP A 9 5.053 21.610 1.904 1.00 0.00 C ATOM 86 CG ASP A 9 6.487 21.280 1.537 1.00 0.00 C ATOM 87 OD1 ASP A 9 7.140 22.120 0.884 1.00 0.00 O ATOM 88 OD2 ASP A 9 6.955 20.181 1.902 1.00 0.00 O ATOM 0 H ASP A 9 5.879 20.783 4.267 1.00 0.00 H new ATOM 0 HA ASP A 9 5.201 23.402 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.474 20.688 1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.610 22.218 1.116 1.00 0.00 H new ATOM 93 N PRO A 10 2.692 23.260 3.384 1.00 0.00 N ATOM 94 CA PRO A 10 1.291 23.325 3.809 1.00 0.00 C ATOM 95 C PRO A 10 0.441 22.230 3.174 1.00 0.00 C ATOM 96 O PRO A 10 -0.772 22.175 3.377 1.00 0.00 O ATOM 97 CB PRO A 10 0.836 24.704 3.323 1.00 0.00 C ATOM 98 CG PRO A 10 1.737 25.017 2.178 1.00 0.00 C ATOM 99 CD PRO A 10 3.060 24.384 2.506 1.00 0.00 C ATOM 0 HA PRO A 10 1.185 23.180 4.884 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.209 24.690 3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.924 25.451 4.112 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.335 24.620 1.246 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.842 26.094 2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.575 24.041 1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.727 25.085 3.008 1.00 0.00 H new ATOM 107 N PHE A 11 1.085 21.358 2.404 1.00 0.00 N ATOM 108 CA PHE A 11 0.387 20.264 1.739 1.00 0.00 C ATOM 109 C PHE A 11 0.868 18.914 2.264 1.00 0.00 C ATOM 110 O PHE A 11 0.847 17.915 1.545 1.00 0.00 O ATOM 111 CB PHE A 11 0.600 20.341 0.226 1.00 0.00 C ATOM 112 CG PHE A 11 -0.453 21.140 -0.488 1.00 0.00 C ATOM 113 CD1 PHE A 11 -0.773 22.421 -0.068 1.00 0.00 C ATOM 114 CD2 PHE A 11 -1.123 20.610 -1.579 1.00 0.00 C ATOM 115 CE1 PHE A 11 -1.742 23.157 -0.722 1.00 0.00 C ATOM 116 CE2 PHE A 11 -2.093 21.342 -2.237 1.00 0.00 C ATOM 117 CZ PHE A 11 -2.402 22.618 -1.809 1.00 0.00 C ATOM 0 H PHE A 11 2.089 21.388 2.226 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.677 20.360 1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 11 1.577 20.782 0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 11 0.617 19.331 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.259 22.849 0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.884 19.613 -1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.983 24.154 -0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.609 20.917 -3.085 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.158 23.193 -2.323 1.00 0.00 H new ATOM 127 N GLN A 12 1.300 18.894 3.520 1.00 0.00 N ATOM 128 CA GLN A 12 1.787 17.668 4.140 1.00 0.00 C ATOM 129 C GLN A 12 0.843 16.504 3.860 1.00 0.00 C ATOM 130 O GLN A 12 -0.234 16.392 4.445 1.00 0.00 O ATOM 131 CB GLN A 12 1.943 17.862 5.650 1.00 0.00 C ATOM 132 CG GLN A 12 3.315 18.371 6.060 1.00 0.00 C ATOM 133 CD GLN A 12 3.445 18.555 7.559 1.00 0.00 C ATOM 134 OE1 GLN A 12 2.689 17.970 8.336 1.00 0.00 O ATOM 135 NE2 GLN A 12 4.407 19.371 7.974 1.00 0.00 N ATOM 0 H GLN A 12 1.323 19.712 4.128 1.00 0.00 H new ATOM 0 HA GLN A 12 2.760 17.434 3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.185 18.564 5.998 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.752 16.913 6.151 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.076 17.670 5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.509 19.321 5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.010 19.835 7.295 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.542 19.534 8.972 1.00 0.00 H new ATOM 144 N PRO A 13 1.254 15.616 2.943 1.00 0.00 N ATOM 145 CA PRO A 13 0.460 14.444 2.563 1.00 0.00 C ATOM 146 C PRO A 13 0.388 13.406 3.679 1.00 0.00 C ATOM 147 O PRO A 13 1.402 13.063 4.285 1.00 0.00 O ATOM 148 CB PRO A 13 1.213 13.880 1.356 1.00 0.00 C ATOM 149 CG PRO A 13 2.617 14.343 1.536 1.00 0.00 C ATOM 150 CD PRO A 13 2.527 15.687 2.206 1.00 0.00 C ATOM 0 HA PRO A 13 -0.577 14.706 2.351 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.156 12.792 1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.792 14.247 0.420 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.185 13.640 2.146 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.129 14.419 0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.370 15.860 2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.526 16.499 1.479 1.00 0.00 H new ATOM 158 N GLU A 14 -0.817 12.911 3.944 1.00 0.00 N ATOM 159 CA GLU A 14 -1.020 11.913 4.987 1.00 0.00 C ATOM 160 C GLU A 14 -0.737 10.509 4.459 1.00 0.00 C ATOM 161 O GLU A 14 -1.657 9.720 4.241 1.00 0.00 O ATOM 162 CB GLU A 14 -2.450 11.989 5.526 1.00 0.00 C ATOM 163 CG GLU A 14 -2.641 13.051 6.596 1.00 0.00 C ATOM 164 CD GLU A 14 -3.847 12.782 7.475 1.00 0.00 C ATOM 165 OE1 GLU A 14 -4.985 12.968 6.994 1.00 0.00 O ATOM 166 OE2 GLU A 14 -3.653 12.386 8.644 1.00 0.00 O ATOM 0 H GLU A 14 -1.667 13.185 3.451 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.323 12.125 5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.131 12.192 4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.727 11.018 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.747 13.101 7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.753 14.025 6.120 1.00 0.00 H new ATOM 173 N ILE A 15 0.540 10.206 4.256 1.00 0.00 N ATOM 174 CA ILE A 15 0.944 8.898 3.754 1.00 0.00 C ATOM 175 C ILE A 15 0.884 7.845 4.856 1.00 0.00 C ATOM 176 O ILE A 15 1.336 8.077 5.977 1.00 0.00 O ATOM 177 CB ILE A 15 2.368 8.934 3.170 1.00 0.00 C ATOM 178 CG1 ILE A 15 2.481 10.033 2.112 1.00 0.00 C ATOM 179 CG2 ILE A 15 2.732 7.581 2.578 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.105 9.573 0.721 1.00 0.00 C ATOM 0 H ILE A 15 1.313 10.848 4.431 1.00 0.00 H new ATOM 0 HA ILE A 15 0.243 8.633 2.962 1.00 0.00 H new ATOM 0 HB ILE A 15 3.069 9.157 3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.839 10.867 2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.504 10.409 2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.742 7.622 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.687 6.819 3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.029 7.330 1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.209 10.404 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.763 8.759 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.072 9.225 0.720 1.00 0.00 H new ATOM 192 N LYS A 16 0.326 6.685 4.527 1.00 0.00 N ATOM 193 CA LYS A 16 0.209 5.593 5.486 1.00 0.00 C ATOM 194 C LYS A 16 1.567 5.254 6.093 1.00 0.00 C ATOM 195 O LYS A 16 1.850 5.601 7.240 1.00 0.00 O ATOM 196 CB LYS A 16 -0.382 4.354 4.810 1.00 0.00 C ATOM 197 CG LYS A 16 -0.640 3.203 5.767 1.00 0.00 C ATOM 198 CD LYS A 16 -1.851 3.470 6.646 1.00 0.00 C ATOM 199 CE LYS A 16 -3.072 3.836 5.817 1.00 0.00 C ATOM 200 NZ LYS A 16 -3.156 5.303 5.571 1.00 0.00 N ATOM 0 H LYS A 16 -0.053 6.477 3.603 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.457 5.916 6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.318 4.628 4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.298 4.019 4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.796 2.285 5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.238 3.046 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.069 2.586 7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.626 4.279 7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.035 3.309 4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.973 3.502 6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.098 5.648 5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.431 5.791 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.998 5.495 4.561 1.00 0.00 H new ATOM 214 N VAL A 17 2.405 4.576 5.316 1.00 0.00 N ATOM 215 CA VAL A 17 3.735 4.194 5.776 1.00 0.00 C ATOM 216 C VAL A 17 3.657 3.089 6.824 1.00 0.00 C ATOM 217 O VAL A 17 4.379 3.114 7.821 1.00 0.00 O ATOM 218 CB VAL A 17 4.492 5.397 6.369 1.00 0.00 C ATOM 219 CG1 VAL A 17 5.965 5.066 6.548 1.00 0.00 C ATOM 220 CG2 VAL A 17 4.316 6.624 5.486 1.00 0.00 C ATOM 0 H VAL A 17 2.187 4.280 4.365 1.00 0.00 H new ATOM 0 HA VAL A 17 4.278 3.827 4.905 1.00 0.00 H new ATOM 0 HB VAL A 17 4.073 5.620 7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.483 5.928 6.968 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.068 4.217 7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.402 4.816 5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.857 7.465 5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.707 6.415 4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.257 6.872 5.415 1.00 0.00 H new ATOM 230 N ARG A 18 2.777 2.121 6.591 1.00 0.00 N ATOM 231 CA ARG A 18 2.604 1.008 7.516 1.00 0.00 C ATOM 232 C ARG A 18 3.485 -0.173 7.117 1.00 0.00 C ATOM 233 O ARG A 18 3.066 -1.328 7.194 1.00 0.00 O ATOM 234 CB ARG A 18 1.138 0.573 7.555 1.00 0.00 C ATOM 235 CG ARG A 18 0.367 1.136 8.738 1.00 0.00 C ATOM 236 CD ARG A 18 0.585 2.634 8.883 1.00 0.00 C ATOM 237 NE ARG A 18 0.555 3.058 10.280 1.00 0.00 N ATOM 238 CZ ARG A 18 0.956 4.255 10.693 1.00 0.00 C ATOM 239 NH1 ARG A 18 1.416 5.142 9.821 1.00 0.00 N ATOM 240 NH2 ARG A 18 0.897 4.568 11.981 1.00 0.00 N ATOM 0 H ARG A 18 2.173 2.085 5.770 1.00 0.00 H new ATOM 0 HA ARG A 18 2.903 1.344 8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.650 0.886 6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.091 -0.516 7.587 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.696 0.933 8.611 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.681 0.631 9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.544 2.905 8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.184 3.168 8.325 1.00 0.00 H new ATOM 0 HE ARG A 18 0.207 2.399 10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.463 4.906 8.830 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.723 6.060 10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.543 3.889 12.655 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.205 5.488 12.297 1.00 0.00 H new ATOM 254 N CYS A 19 4.707 0.126 6.690 1.00 0.00 N ATOM 255 CA CYS A 19 5.648 -0.908 6.277 1.00 0.00 C ATOM 256 C CYS A 19 5.953 -1.858 7.432 1.00 0.00 C ATOM 257 O CYS A 19 5.469 -1.671 8.549 1.00 0.00 O ATOM 258 CB CYS A 19 6.944 -0.275 5.767 1.00 0.00 C ATOM 259 SG CYS A 19 7.847 -1.297 4.560 1.00 0.00 S ATOM 0 H CYS A 19 5.069 1.077 6.621 1.00 0.00 H new ATOM 0 HA CYS A 19 5.190 -1.480 5.470 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.711 0.687 5.310 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.596 -0.074 6.617 1.00 0.00 H new ATOM 264 N VAL A 20 6.760 -2.878 7.155 1.00 0.00 N ATOM 265 CA VAL A 20 7.131 -3.856 8.170 1.00 0.00 C ATOM 266 C VAL A 20 8.282 -3.346 9.030 1.00 0.00 C ATOM 267 O VAL A 20 8.221 -3.391 10.259 1.00 0.00 O ATOM 268 CB VAL A 20 7.536 -5.199 7.534 1.00 0.00 C ATOM 269 CG1 VAL A 20 6.401 -5.753 6.687 1.00 0.00 C ATOM 270 CG2 VAL A 20 8.800 -5.035 6.704 1.00 0.00 C ATOM 0 H VAL A 20 7.169 -3.048 6.236 1.00 0.00 H new ATOM 0 HA VAL A 20 6.253 -4.010 8.797 1.00 0.00 H new ATOM 0 HB VAL A 20 7.742 -5.912 8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.706 -6.702 6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.523 -5.909 7.313 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.160 -5.045 5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.072 -5.994 6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.623 -4.307 5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.612 -4.687 7.342 1.00 0.00 H new ATOM 280 N CYS A 21 9.332 -2.860 8.376 1.00 0.00 N ATOM 281 CA CYS A 21 10.498 -2.341 9.080 1.00 0.00 C ATOM 282 C CYS A 21 10.081 -1.559 10.322 1.00 0.00 C ATOM 283 O CYS A 21 10.827 -1.477 11.297 1.00 0.00 O ATOM 284 CB CYS A 21 11.322 -1.444 8.153 1.00 0.00 C ATOM 285 SG CYS A 21 10.339 -0.198 7.258 1.00 0.00 S ATOM 0 H CYS A 21 9.399 -2.815 7.359 1.00 0.00 H new ATOM 0 HA CYS A 21 11.108 -3.188 9.393 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.085 -0.935 8.742 1.00 0.00 H new ATOM 0 HB3 CYS A 21 11.843 -2.070 7.428 1.00 0.00 H new ATOM 290 N GLY A 22 8.882 -0.986 10.279 1.00 0.00 N ATOM 291 CA GLY A 22 8.385 -0.218 11.406 1.00 0.00 C ATOM 292 C GLY A 22 8.932 1.195 11.431 1.00 0.00 C ATOM 293 O GLY A 22 9.173 1.756 12.499 1.00 0.00 O ATOM 0 H GLY A 22 8.246 -1.040 9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.296 -0.182 11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.653 -0.724 12.333 1.00 0.00 H new ATOM 297 N ASN A 23 9.129 1.773 10.250 1.00 0.00 N ATOM 298 CA ASN A 23 9.653 3.129 10.140 1.00 0.00 C ATOM 299 C ASN A 23 8.608 4.070 9.548 1.00 0.00 C ATOM 300 O ASN A 23 7.993 3.765 8.526 1.00 0.00 O ATOM 301 CB ASN A 23 10.916 3.142 9.277 1.00 0.00 C ATOM 302 CG ASN A 23 12.177 2.934 10.093 1.00 0.00 C ATOM 303 OD1 ASN A 23 12.132 2.396 11.199 1.00 0.00 O ATOM 304 ND2 ASN A 23 13.311 3.362 9.550 1.00 0.00 N ATOM 0 H ASN A 23 8.933 1.323 9.356 1.00 0.00 H new ATOM 0 HA ASN A 23 9.903 3.477 11.142 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.843 2.361 8.520 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.982 4.093 8.748 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.191 3.250 10.053 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.302 3.803 8.630 1.00 0.00 H new ATOM 311 N SER A 24 8.415 5.214 10.196 1.00 0.00 N ATOM 312 CA SER A 24 7.442 6.198 9.735 1.00 0.00 C ATOM 313 C SER A 24 8.072 7.152 8.724 1.00 0.00 C ATOM 314 O SER A 24 7.850 8.363 8.773 1.00 0.00 O ATOM 315 CB SER A 24 6.884 6.988 10.920 1.00 0.00 C ATOM 316 OG SER A 24 7.921 7.392 11.797 1.00 0.00 O ATOM 0 H SER A 24 8.919 5.483 11.041 1.00 0.00 H new ATOM 0 HA SER A 24 6.626 5.665 9.246 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.348 7.865 10.557 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.163 6.376 11.462 1.00 0.00 H new ATOM 0 HG SER A 24 7.539 7.897 12.545 1.00 0.00 H new ATOM 322 N LEU A 25 8.859 6.598 7.809 1.00 0.00 N ATOM 323 CA LEU A 25 9.523 7.399 6.785 1.00 0.00 C ATOM 324 C LEU A 25 9.103 6.953 5.388 1.00 0.00 C ATOM 325 O LEU A 25 8.575 5.856 5.209 1.00 0.00 O ATOM 326 CB LEU A 25 11.042 7.292 6.931 1.00 0.00 C ATOM 327 CG LEU A 25 11.682 6.018 6.378 1.00 0.00 C ATOM 328 CD1 LEU A 25 12.033 6.192 4.909 1.00 0.00 C ATOM 329 CD2 LEU A 25 12.919 5.650 7.184 1.00 0.00 C ATOM 0 H LEU A 25 9.053 5.598 7.754 1.00 0.00 H new ATOM 0 HA LEU A 25 9.223 8.438 6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.496 8.148 6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.291 7.370 7.989 1.00 0.00 H new ATOM 0 HG LEU A 25 10.961 5.205 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.487 5.276 4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.128 6.408 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.736 7.018 4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.362 4.741 6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.644 6.462 7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.639 5.483 8.224 1.00 0.00 H new ATOM 341 N GLU A 26 9.343 7.810 4.401 1.00 0.00 N ATOM 342 CA GLU A 26 8.990 7.503 3.020 1.00 0.00 C ATOM 343 C GLU A 26 10.233 7.471 2.135 1.00 0.00 C ATOM 344 O GLU A 26 11.220 8.158 2.404 1.00 0.00 O ATOM 345 CB GLU A 26 7.995 8.534 2.483 1.00 0.00 C ATOM 346 CG GLU A 26 6.642 8.489 3.172 1.00 0.00 C ATOM 347 CD GLU A 26 5.907 9.813 3.100 1.00 0.00 C ATOM 348 OE1 GLU A 26 6.051 10.517 2.078 1.00 0.00 O ATOM 349 OE2 GLU A 26 5.188 10.147 4.066 1.00 0.00 O ATOM 0 H GLU A 26 9.780 8.722 4.532 1.00 0.00 H new ATOM 0 HA GLU A 26 8.526 6.517 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.420 9.531 2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.855 8.369 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.030 7.713 2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.779 8.210 4.217 1.00 0.00 H new ATOM 356 N THR A 27 10.180 6.668 1.078 1.00 0.00 N ATOM 357 CA THR A 27 11.300 6.544 0.154 1.00 0.00 C ATOM 358 C THR A 27 10.999 7.234 -1.171 1.00 0.00 C ATOM 359 O THR A 27 9.911 7.775 -1.367 1.00 0.00 O ATOM 360 CB THR A 27 11.645 5.067 -0.116 1.00 0.00 C ATOM 361 OG1 THR A 27 10.451 4.330 -0.405 1.00 0.00 O ATOM 362 CG2 THR A 27 12.351 4.448 1.080 1.00 0.00 C ATOM 0 H THR A 27 9.372 6.093 0.840 1.00 0.00 H new ATOM 0 HA THR A 27 12.154 7.028 0.627 1.00 0.00 H new ATOM 0 HB THR A 27 12.315 5.025 -0.975 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.374 4.198 -1.373 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.584 3.405 0.865 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.274 4.993 1.280 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.702 4.502 1.954 1.00 0.00 H new ATOM 370 N ASP A 28 11.969 7.211 -2.078 1.00 0.00 N ATOM 371 CA ASP A 28 11.807 7.834 -3.387 1.00 0.00 C ATOM 372 C ASP A 28 10.605 7.250 -4.122 1.00 0.00 C ATOM 373 O ASP A 28 9.942 7.941 -4.895 1.00 0.00 O ATOM 374 CB ASP A 28 13.073 7.648 -4.225 1.00 0.00 C ATOM 375 CG ASP A 28 13.214 8.703 -5.304 1.00 0.00 C ATOM 376 OD1 ASP A 28 12.363 8.735 -6.218 1.00 0.00 O ATOM 377 OD2 ASP A 28 14.175 9.497 -5.235 1.00 0.00 O ATOM 0 H ASP A 28 12.876 6.768 -1.931 1.00 0.00 H new ATOM 0 HA ASP A 28 11.635 8.900 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 28 13.945 7.681 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.058 6.661 -4.686 1.00 0.00 H new ATOM 382 N SER A 29 10.331 5.973 -3.875 1.00 0.00 N ATOM 383 CA SER A 29 9.211 5.294 -4.517 1.00 0.00 C ATOM 384 C SER A 29 8.604 4.249 -3.586 1.00 0.00 C ATOM 385 O SER A 29 9.283 3.710 -2.713 1.00 0.00 O ATOM 386 CB SER A 29 9.668 4.630 -5.818 1.00 0.00 C ATOM 387 OG SER A 29 9.716 5.568 -6.879 1.00 0.00 O ATOM 0 H SER A 29 10.869 5.388 -3.235 1.00 0.00 H new ATOM 0 HA SER A 29 8.449 6.039 -4.745 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.653 4.185 -5.677 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.986 3.819 -6.075 1.00 0.00 H new ATOM 0 HG SER A 29 9.727 6.477 -6.512 1.00 0.00 H new ATOM 393 N MET A 30 7.319 3.968 -3.780 1.00 0.00 N ATOM 394 CA MET A 30 6.619 2.987 -2.959 1.00 0.00 C ATOM 395 C MET A 30 5.384 2.457 -3.681 1.00 0.00 C ATOM 396 O MET A 30 4.784 3.154 -4.499 1.00 0.00 O ATOM 397 CB MET A 30 6.215 3.607 -1.620 1.00 0.00 C ATOM 398 CG MET A 30 7.353 3.676 -0.614 1.00 0.00 C ATOM 399 SD MET A 30 6.799 3.411 1.081 1.00 0.00 S ATOM 400 CE MET A 30 6.611 5.101 1.643 1.00 0.00 C ATOM 0 H MET A 30 6.742 4.406 -4.498 1.00 0.00 H new ATOM 0 HA MET A 30 7.296 2.153 -2.775 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.834 4.613 -1.795 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.397 3.027 -1.192 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.103 2.927 -0.868 1.00 0.00 H new ATOM 0 HG3 MET A 30 7.838 4.650 -0.686 1.00 0.00 H new ATOM 0 HE1 MET A 30 6.713 5.137 2.728 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.379 5.724 1.185 1.00 0.00 H new ATOM 0 HE3 MET A 30 5.626 5.472 1.359 1.00 0.00 H new ATOM 410 N ILE A 31 5.011 1.219 -3.372 1.00 0.00 N ATOM 411 CA ILE A 31 3.847 0.597 -3.991 1.00 0.00 C ATOM 412 C ILE A 31 2.678 0.524 -3.014 1.00 0.00 C ATOM 413 O ILE A 31 2.850 0.158 -1.852 1.00 0.00 O ATOM 414 CB ILE A 31 4.169 -0.822 -4.495 1.00 0.00 C ATOM 415 CG1 ILE A 31 4.187 -1.810 -3.326 1.00 0.00 C ATOM 416 CG2 ILE A 31 5.502 -0.835 -5.227 1.00 0.00 C ATOM 417 CD1 ILE A 31 5.265 -1.519 -2.306 1.00 0.00 C ATOM 0 H ILE A 31 5.497 0.628 -2.698 1.00 0.00 H new ATOM 0 HA ILE A 31 3.569 1.221 -4.840 1.00 0.00 H new ATOM 0 HB ILE A 31 3.391 -1.129 -5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.216 -1.793 -2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.329 -2.818 -3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.715 -1.845 -5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.455 -0.158 -6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.292 -0.511 -4.550 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.219 -2.258 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.242 -1.565 -2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.112 -0.524 -1.889 1.00 0.00 H new ATOM 429 N GLN A 32 1.489 0.874 -3.496 1.00 0.00 N ATOM 430 CA GLN A 32 0.291 0.848 -2.665 1.00 0.00 C ATOM 431 C GLN A 32 -0.344 -0.538 -2.671 1.00 0.00 C ATOM 432 O GLN A 32 -0.218 -1.287 -3.640 1.00 0.00 O ATOM 433 CB GLN A 32 -0.718 1.887 -3.155 1.00 0.00 C ATOM 434 CG GLN A 32 -1.734 2.294 -2.100 1.00 0.00 C ATOM 435 CD GLN A 32 -2.551 3.503 -2.512 1.00 0.00 C ATOM 436 OE1 GLN A 32 -3.104 3.547 -3.611 1.00 0.00 O ATOM 437 NE2 GLN A 32 -2.632 4.492 -1.629 1.00 0.00 N ATOM 0 H GLN A 32 1.330 1.178 -4.456 1.00 0.00 H new ATOM 0 HA GLN A 32 0.582 1.090 -1.643 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.180 2.774 -3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.246 1.488 -4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.404 1.457 -1.904 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.215 2.512 -1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.157 4.413 -0.730 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.169 5.331 -1.850 1.00 0.00 H new ATOM 446 N CYS A 33 -1.028 -0.875 -1.582 1.00 0.00 N ATOM 447 CA CYS A 33 -1.683 -2.172 -1.460 1.00 0.00 C ATOM 448 C CYS A 33 -2.994 -2.194 -2.242 1.00 0.00 C ATOM 449 O CYS A 33 -3.872 -1.361 -2.023 1.00 0.00 O ATOM 450 CB CYS A 33 -1.948 -2.496 0.011 1.00 0.00 C ATOM 451 SG CYS A 33 -2.565 -4.186 0.300 1.00 0.00 S ATOM 0 H CYS A 33 -1.143 -0.267 -0.771 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.018 -2.928 -1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.026 -2.356 0.575 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.673 -1.784 0.404 1.00 0.00 H new ATOM 456 N GLU A 34 -3.117 -3.154 -3.153 1.00 0.00 N ATOM 457 CA GLU A 34 -4.320 -3.284 -3.967 1.00 0.00 C ATOM 458 C GLU A 34 -5.569 -2.991 -3.142 1.00 0.00 C ATOM 459 O GLU A 34 -6.397 -2.164 -3.522 1.00 0.00 O ATOM 460 CB GLU A 34 -4.408 -4.690 -4.565 1.00 0.00 C ATOM 461 CG GLU A 34 -5.229 -4.758 -5.842 1.00 0.00 C ATOM 462 CD GLU A 34 -5.764 -6.149 -6.118 1.00 0.00 C ATOM 463 OE1 GLU A 34 -4.960 -7.105 -6.119 1.00 0.00 O ATOM 464 OE2 GLU A 34 -6.987 -6.282 -6.334 1.00 0.00 O ATOM 0 H GLU A 34 -2.399 -3.853 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.261 -2.556 -4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.401 -5.052 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.844 -5.363 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.063 -4.060 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.614 -4.436 -6.682 1.00 0.00 H new ATOM 471 N ASP A 35 -5.698 -3.677 -2.011 1.00 0.00 N ATOM 472 CA ASP A 35 -6.846 -3.491 -1.131 1.00 0.00 C ATOM 473 C ASP A 35 -7.175 -2.010 -0.972 1.00 0.00 C ATOM 474 O ASP A 35 -6.305 -1.182 -0.700 1.00 0.00 O ATOM 475 CB ASP A 35 -6.572 -4.115 0.238 1.00 0.00 C ATOM 476 CG ASP A 35 -7.837 -4.604 0.916 1.00 0.00 C ATOM 477 OD1 ASP A 35 -8.693 -5.192 0.221 1.00 0.00 O ATOM 478 OD2 ASP A 35 -7.971 -4.400 2.140 1.00 0.00 O ATOM 0 H ASP A 35 -5.022 -4.367 -1.682 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.704 -3.988 -1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.880 -4.949 0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.082 -3.381 0.877 1.00 0.00 H new ATOM 483 N PRO A 36 -8.460 -1.667 -1.146 1.00 0.00 N ATOM 484 CA PRO A 36 -8.933 -0.285 -1.028 1.00 0.00 C ATOM 485 C PRO A 36 -8.891 0.221 0.410 1.00 0.00 C ATOM 486 O PRO A 36 -8.348 1.291 0.686 1.00 0.00 O ATOM 487 CB PRO A 36 -10.378 -0.361 -1.526 1.00 0.00 C ATOM 488 CG PRO A 36 -10.789 -1.772 -1.283 1.00 0.00 C ATOM 489 CD PRO A 36 -9.549 -2.602 -1.472 1.00 0.00 C ATOM 0 HA PRO A 36 -8.309 0.409 -1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.019 0.336 -0.987 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.446 -0.105 -2.583 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.191 -1.894 -0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.572 -2.076 -1.978 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.543 -3.471 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.467 -2.975 -2.493 1.00 0.00 H new ATOM 497 N ARG A 37 -9.466 -0.555 1.323 1.00 0.00 N ATOM 498 CA ARG A 37 -9.495 -0.185 2.733 1.00 0.00 C ATOM 499 C ARG A 37 -8.084 -0.137 3.311 1.00 0.00 C ATOM 500 O ARG A 37 -7.847 0.482 4.349 1.00 0.00 O ATOM 501 CB ARG A 37 -10.349 -1.176 3.525 1.00 0.00 C ATOM 502 CG ARG A 37 -9.871 -2.615 3.417 1.00 0.00 C ATOM 503 CD ARG A 37 -8.869 -2.953 4.509 1.00 0.00 C ATOM 504 NE ARG A 37 -8.556 -4.379 4.543 1.00 0.00 N ATOM 505 CZ ARG A 37 -8.078 -5.001 5.615 1.00 0.00 C ATOM 506 NH1 ARG A 37 -7.860 -4.326 6.736 1.00 0.00 N ATOM 507 NH2 ARG A 37 -7.818 -6.301 5.568 1.00 0.00 N ATOM 0 H ARG A 37 -9.918 -1.444 1.111 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.936 0.809 2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.353 -0.881 4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.379 -1.117 3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.725 -3.289 3.484 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.414 -2.775 2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.953 -2.385 4.349 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.269 -2.647 5.475 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.713 -4.927 3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.060 -3.327 6.776 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.493 -4.806 7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.985 -6.824 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.451 -6.778 6.392 1.00 0.00 H new ATOM 521 N CYS A 38 -7.150 -0.796 2.633 1.00 0.00 N ATOM 522 CA CYS A 38 -5.762 -0.830 3.078 1.00 0.00 C ATOM 523 C CYS A 38 -4.959 0.304 2.447 1.00 0.00 C ATOM 524 O CYS A 38 -4.515 1.223 3.135 1.00 0.00 O ATOM 525 CB CYS A 38 -5.125 -2.177 2.729 1.00 0.00 C ATOM 526 SG CYS A 38 -3.725 -2.637 3.799 1.00 0.00 S ATOM 0 H CYS A 38 -7.330 -1.314 1.773 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.751 -0.700 4.160 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.887 -2.954 2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.783 -2.148 1.694 1.00 0.00 H new ATOM 531 N HIS A 39 -4.778 0.232 1.132 1.00 0.00 N ATOM 532 CA HIS A 39 -4.030 1.252 0.406 1.00 0.00 C ATOM 533 C HIS A 39 -2.869 1.775 1.247 1.00 0.00 C ATOM 534 O HIS A 39 -2.731 2.982 1.451 1.00 0.00 O ATOM 535 CB HIS A 39 -4.951 2.408 0.013 1.00 0.00 C ATOM 536 CG HIS A 39 -5.676 2.183 -1.278 1.00 0.00 C ATOM 537 ND1 HIS A 39 -6.934 2.687 -1.532 1.00 0.00 N ATOM 538 CD2 HIS A 39 -5.311 1.506 -2.392 1.00 0.00 C ATOM 539 CE1 HIS A 39 -7.313 2.328 -2.746 1.00 0.00 C ATOM 540 NE2 HIS A 39 -6.346 1.611 -3.289 1.00 0.00 N ATOM 0 H HIS A 39 -5.139 -0.522 0.548 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.626 0.796 -0.498 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.681 2.567 0.807 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.361 3.321 -0.065 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.380 0.981 -2.547 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.253 2.578 -3.214 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.365 1.202 -4.223 1.00 0.00 H new ATOM 549 N VAL A 40 -2.037 0.860 1.733 1.00 0.00 N ATOM 550 CA VAL A 40 -0.888 1.228 2.551 1.00 0.00 C ATOM 551 C VAL A 40 0.364 1.393 1.697 1.00 0.00 C ATOM 552 O VAL A 40 0.450 0.855 0.593 1.00 0.00 O ATOM 553 CB VAL A 40 -0.616 0.177 3.643 1.00 0.00 C ATOM 554 CG1 VAL A 40 -1.876 -0.090 4.452 1.00 0.00 C ATOM 555 CG2 VAL A 40 -0.087 -1.108 3.025 1.00 0.00 C ATOM 0 H VAL A 40 -2.137 -0.143 1.574 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.129 2.179 3.025 1.00 0.00 H new ATOM 0 HB VAL A 40 0.145 0.568 4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.665 -0.835 5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.207 0.834 4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.660 -0.461 3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.100 -1.840 3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.823 -1.506 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.842 -0.901 2.494 1.00 0.00 H new ATOM 565 N TRP A 41 1.333 2.139 2.215 1.00 0.00 N ATOM 566 CA TRP A 41 2.582 2.374 1.500 1.00 0.00 C ATOM 567 C TRP A 41 3.730 1.603 2.142 1.00 0.00 C ATOM 568 O TRP A 41 4.095 1.858 3.289 1.00 0.00 O ATOM 569 CB TRP A 41 2.906 3.869 1.476 1.00 0.00 C ATOM 570 CG TRP A 41 1.887 4.686 0.740 1.00 0.00 C ATOM 571 CD1 TRP A 41 0.796 5.309 1.274 1.00 0.00 C ATOM 572 CD2 TRP A 41 1.865 4.965 -0.664 1.00 0.00 C ATOM 573 NE1 TRP A 41 0.096 5.960 0.286 1.00 0.00 N ATOM 574 CE2 TRP A 41 0.732 5.765 -0.912 1.00 0.00 C ATOM 575 CE3 TRP A 41 2.693 4.620 -1.736 1.00 0.00 C ATOM 576 CZ2 TRP A 41 0.408 6.222 -2.186 1.00 0.00 C ATOM 577 CZ3 TRP A 41 2.369 5.074 -3.000 1.00 0.00 C ATOM 578 CH2 TRP A 41 1.236 5.868 -3.217 1.00 0.00 C ATOM 0 H TRP A 41 1.278 2.592 3.127 1.00 0.00 H new ATOM 0 HA TRP A 41 2.458 2.019 0.477 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.982 4.233 2.500 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.882 4.015 1.012 1.00 0.00 H new ATOM 0 HD1 TRP A 41 0.523 5.293 2.319 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -0.758 6.500 0.423 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.570 4.010 -1.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.466 6.834 -2.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.001 4.812 -3.836 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.011 6.208 -4.217 1.00 0.00 H new ATOM 589 N GLN A 42 4.296 0.661 1.394 1.00 0.00 N ATOM 590 CA GLN A 42 5.403 -0.147 1.891 1.00 0.00 C ATOM 591 C GLN A 42 6.639 0.024 1.015 1.00 0.00 C ATOM 592 O GLN A 42 6.596 -0.222 -0.191 1.00 0.00 O ATOM 593 CB GLN A 42 5.001 -1.622 1.946 1.00 0.00 C ATOM 594 CG GLN A 42 3.967 -1.932 3.016 1.00 0.00 C ATOM 595 CD GLN A 42 4.104 -3.337 3.570 1.00 0.00 C ATOM 596 OE1 GLN A 42 4.712 -3.546 4.620 1.00 0.00 O ATOM 597 NE2 GLN A 42 3.537 -4.309 2.865 1.00 0.00 N ATOM 0 H GLN A 42 4.006 0.439 0.442 1.00 0.00 H new ATOM 0 HA GLN A 42 5.645 0.194 2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.606 -1.919 0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.890 -2.226 2.126 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.065 -1.213 3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.968 -1.806 2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.043 -4.090 2.000 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.596 -5.275 3.188 1.00 0.00 H new ATOM 606 N HIS A 43 7.739 0.448 1.628 1.00 0.00 N ATOM 607 CA HIS A 43 8.988 0.651 0.903 1.00 0.00 C ATOM 608 C HIS A 43 9.235 -0.485 -0.085 1.00 0.00 C ATOM 609 O HIS A 43 9.284 -1.654 0.298 1.00 0.00 O ATOM 610 CB HIS A 43 10.159 0.756 1.881 1.00 0.00 C ATOM 611 CG HIS A 43 10.002 1.853 2.888 1.00 0.00 C ATOM 612 ND1 HIS A 43 9.962 1.626 4.248 1.00 0.00 N ATOM 613 CD2 HIS A 43 9.876 3.191 2.728 1.00 0.00 C ATOM 614 CE1 HIS A 43 9.817 2.777 4.880 1.00 0.00 C ATOM 615 NE2 HIS A 43 9.763 3.743 3.980 1.00 0.00 N ATOM 0 H HIS A 43 7.791 0.658 2.625 1.00 0.00 H new ATOM 0 HA HIS A 43 8.907 1.583 0.344 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.270 -0.193 2.405 1.00 0.00 H new ATOM 0 HB3 HIS A 43 11.078 0.919 1.318 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.866 3.725 1.790 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.753 2.906 5.950 1.00 0.00 H new ATOM 0 HE2 HIS A 43 9.655 4.737 4.182 1.00 0.00 H new ATOM 623 N VAL A 44 9.389 -0.134 -1.357 1.00 0.00 N ATOM 624 CA VAL A 44 9.630 -1.124 -2.400 1.00 0.00 C ATOM 625 C VAL A 44 10.870 -1.956 -2.091 1.00 0.00 C ATOM 626 O VAL A 44 10.884 -3.169 -2.296 1.00 0.00 O ATOM 627 CB VAL A 44 9.803 -0.458 -3.778 1.00 0.00 C ATOM 628 CG1 VAL A 44 10.251 -1.479 -4.813 1.00 0.00 C ATOM 629 CG2 VAL A 44 8.509 0.217 -4.208 1.00 0.00 C ATOM 0 H VAL A 44 9.351 0.829 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 44 8.756 -1.775 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 44 10.577 0.306 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.368 -0.990 -5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.204 -1.912 -4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.503 -2.268 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.648 0.683 -5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.714 -0.526 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.236 0.979 -3.478 1.00 0.00 H new ATOM 639 N GLY A 45 11.912 -1.294 -1.596 1.00 0.00 N ATOM 640 CA GLY A 45 13.143 -1.988 -1.267 1.00 0.00 C ATOM 641 C GLY A 45 12.985 -2.916 -0.078 1.00 0.00 C ATOM 642 O GLY A 45 13.894 -3.681 0.247 1.00 0.00 O ATOM 0 H GLY A 45 11.925 -0.290 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.475 -2.563 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.923 -1.257 -1.053 1.00 0.00 H new ATOM 646 N CYS A 46 11.830 -2.847 0.574 1.00 0.00 N ATOM 647 CA CYS A 46 11.556 -3.686 1.735 1.00 0.00 C ATOM 648 C CYS A 46 10.810 -4.953 1.327 1.00 0.00 C ATOM 649 O CYS A 46 11.237 -6.065 1.637 1.00 0.00 O ATOM 650 CB CYS A 46 10.737 -2.909 2.769 1.00 0.00 C ATOM 651 SG CYS A 46 11.744 -1.943 3.940 1.00 0.00 S ATOM 0 H CYS A 46 11.068 -2.219 0.319 1.00 0.00 H new ATOM 0 HA CYS A 46 12.510 -3.974 2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.059 -2.234 2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.120 -3.611 3.330 1.00 0.00 H new ATOM 656 N VAL A 47 9.692 -4.776 0.630 1.00 0.00 N ATOM 657 CA VAL A 47 8.886 -5.905 0.178 1.00 0.00 C ATOM 658 C VAL A 47 9.349 -6.398 -1.188 1.00 0.00 C ATOM 659 O VAL A 47 9.358 -7.600 -1.455 1.00 0.00 O ATOM 660 CB VAL A 47 7.394 -5.533 0.099 1.00 0.00 C ATOM 661 CG1 VAL A 47 6.856 -5.187 1.479 1.00 0.00 C ATOM 662 CG2 VAL A 47 7.183 -4.379 -0.869 1.00 0.00 C ATOM 0 H VAL A 47 9.324 -3.862 0.366 1.00 0.00 H new ATOM 0 HA VAL A 47 9.016 -6.701 0.911 1.00 0.00 H new ATOM 0 HB VAL A 47 6.842 -6.396 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.800 -4.927 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.971 -6.046 2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.410 -4.340 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.123 -4.130 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.747 -3.510 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.528 -4.669 -1.861 1.00 0.00 H new ATOM 672 N ILE A 48 9.733 -5.462 -2.050 1.00 0.00 N ATOM 673 CA ILE A 48 10.199 -5.802 -3.388 1.00 0.00 C ATOM 674 C ILE A 48 11.720 -5.902 -3.432 1.00 0.00 C ATOM 675 O ILE A 48 12.426 -4.955 -3.082 1.00 0.00 O ATOM 676 CB ILE A 48 9.734 -4.764 -4.427 1.00 0.00 C ATOM 677 CG1 ILE A 48 8.255 -4.431 -4.220 1.00 0.00 C ATOM 678 CG2 ILE A 48 9.973 -5.282 -5.837 1.00 0.00 C ATOM 679 CD1 ILE A 48 7.333 -5.611 -4.437 1.00 0.00 C ATOM 0 H ILE A 48 9.730 -4.463 -1.845 1.00 0.00 H new ATOM 0 HA ILE A 48 9.766 -6.771 -3.636 1.00 0.00 H new ATOM 0 HB ILE A 48 10.315 -3.852 -4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.115 -4.052 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.973 -3.629 -4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.639 -4.537 -6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.037 -5.474 -5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.415 -6.206 -5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.301 -5.301 -4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.444 -5.977 -5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.589 -6.406 -3.737 1.00 0.00 H new ATOM 691 N LEU A 49 12.219 -7.054 -3.866 1.00 0.00 N ATOM 692 CA LEU A 49 13.658 -7.278 -3.958 1.00 0.00 C ATOM 693 C LEU A 49 14.209 -6.746 -5.277 1.00 0.00 C ATOM 694 O LEU A 49 13.726 -7.081 -6.359 1.00 0.00 O ATOM 695 CB LEU A 49 13.971 -8.770 -3.826 1.00 0.00 C ATOM 696 CG LEU A 49 13.404 -9.468 -2.589 1.00 0.00 C ATOM 697 CD1 LEU A 49 13.144 -10.938 -2.879 1.00 0.00 C ATOM 698 CD2 LEU A 49 14.351 -9.314 -1.408 1.00 0.00 C ATOM 0 H LEU A 49 11.649 -7.847 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 49 14.138 -6.738 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.592 -9.280 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.054 -8.895 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 49 12.456 -8.996 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.741 -11.419 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.427 -11.027 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.078 -11.424 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.931 -9.817 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 49 15.315 -9.759 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.486 -8.256 -1.186 1.00 0.00 H new ATOM 710 N PRO A 50 15.245 -5.899 -5.188 1.00 0.00 N ATOM 711 CA PRO A 50 15.885 -5.305 -6.365 1.00 0.00 C ATOM 712 C PRO A 50 16.668 -6.330 -7.178 1.00 0.00 C ATOM 713 O PRO A 50 16.954 -7.428 -6.701 1.00 0.00 O ATOM 714 CB PRO A 50 16.833 -4.263 -5.765 1.00 0.00 C ATOM 715 CG PRO A 50 17.122 -4.760 -4.390 1.00 0.00 C ATOM 716 CD PRO A 50 15.871 -5.456 -3.930 1.00 0.00 C ATOM 0 HA PRO A 50 15.155 -4.889 -7.059 1.00 0.00 H new ATOM 0 HB2 PRO A 50 17.746 -4.173 -6.353 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.372 -3.276 -5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 50 17.971 -5.444 -4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 50 17.378 -3.937 -3.723 1.00 0.00 H new ATOM 0 HD2 PRO A 50 16.097 -6.298 -3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 50 15.219 -4.784 -3.372 1.00 0.00 H new ATOM 724 N ASP A 51 17.011 -5.965 -8.409 1.00 0.00 N ATOM 725 CA ASP A 51 17.762 -6.853 -9.288 1.00 0.00 C ATOM 726 C ASP A 51 18.604 -6.053 -10.278 1.00 0.00 C ATOM 727 O ASP A 51 18.071 -5.355 -11.141 1.00 0.00 O ATOM 728 CB ASP A 51 16.810 -7.782 -10.044 1.00 0.00 C ATOM 729 CG ASP A 51 16.505 -9.050 -9.272 1.00 0.00 C ATOM 730 OD1 ASP A 51 17.447 -9.828 -9.013 1.00 0.00 O ATOM 731 OD2 ASP A 51 15.324 -9.267 -8.928 1.00 0.00 O ATOM 0 H ASP A 51 16.781 -5.060 -8.820 1.00 0.00 H new ATOM 0 HA ASP A 51 18.431 -7.454 -8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.880 -7.254 -10.251 1.00 0.00 H new ATOM 0 HB3 ASP A 51 17.250 -8.043 -11.007 1.00 0.00 H new ATOM 736 N LYS A 52 19.922 -6.158 -10.145 1.00 0.00 N ATOM 737 CA LYS A 52 20.839 -5.445 -11.026 1.00 0.00 C ATOM 738 C LYS A 52 20.597 -5.824 -12.484 1.00 0.00 C ATOM 739 O LYS A 52 20.428 -4.968 -13.353 1.00 0.00 O ATOM 740 CB LYS A 52 22.288 -5.751 -10.643 1.00 0.00 C ATOM 741 CG LYS A 52 23.224 -4.566 -10.808 1.00 0.00 C ATOM 742 CD LYS A 52 24.653 -4.929 -10.440 1.00 0.00 C ATOM 743 CE LYS A 52 25.659 -4.131 -11.256 1.00 0.00 C ATOM 744 NZ LYS A 52 25.680 -2.695 -10.859 1.00 0.00 N ATOM 0 H LYS A 52 20.379 -6.730 -9.435 1.00 0.00 H new ATOM 0 HA LYS A 52 20.657 -4.376 -10.911 1.00 0.00 H new ATOM 0 HB2 LYS A 52 22.318 -6.085 -9.606 1.00 0.00 H new ATOM 0 HB3 LYS A 52 22.650 -6.577 -11.255 1.00 0.00 H new ATOM 0 HG2 LYS A 52 23.191 -4.216 -11.840 1.00 0.00 H new ATOM 0 HG3 LYS A 52 22.884 -3.742 -10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.815 -4.743 -9.378 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.813 -5.995 -10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.653 -4.559 -11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 52 25.414 -4.212 -12.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.378 -2.185 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.738 -2.280 -11.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.939 -2.616 -9.855 1.00 0.00 H new ATOM 758 N PRO A 53 20.579 -7.136 -12.761 1.00 0.00 N ATOM 759 CA PRO A 53 20.356 -7.657 -14.113 1.00 0.00 C ATOM 760 C PRO A 53 18.925 -7.437 -14.590 1.00 0.00 C ATOM 761 O PRO A 53 18.698 -6.976 -15.709 1.00 0.00 O ATOM 762 CB PRO A 53 20.647 -9.153 -13.969 1.00 0.00 C ATOM 763 CG PRO A 53 20.389 -9.453 -12.532 1.00 0.00 C ATOM 764 CD PRO A 53 20.773 -8.212 -11.775 1.00 0.00 C ATOM 0 HA PRO A 53 20.982 -7.156 -14.851 1.00 0.00 H new ATOM 0 HB2 PRO A 53 20.003 -9.746 -14.619 1.00 0.00 H new ATOM 0 HB3 PRO A 53 21.676 -9.384 -14.243 1.00 0.00 H new ATOM 0 HG2 PRO A 53 19.341 -9.702 -12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 53 20.976 -10.310 -12.201 1.00 0.00 H new ATOM 0 HD2 PRO A 53 20.146 -8.068 -10.895 1.00 0.00 H new ATOM 0 HD3 PRO A 53 21.805 -8.257 -11.427 1.00 0.00 H new ATOM 772 N MET A 54 17.963 -7.768 -13.736 1.00 0.00 N ATOM 773 CA MET A 54 16.553 -7.604 -14.071 1.00 0.00 C ATOM 774 C MET A 54 16.139 -6.139 -13.980 1.00 0.00 C ATOM 775 O MET A 54 15.175 -5.798 -13.295 1.00 0.00 O ATOM 776 CB MET A 54 15.683 -8.451 -13.139 1.00 0.00 C ATOM 777 CG MET A 54 16.197 -9.869 -12.950 1.00 0.00 C ATOM 778 SD MET A 54 15.949 -10.898 -14.409 1.00 0.00 S ATOM 779 CE MET A 54 16.833 -12.381 -13.932 1.00 0.00 C ATOM 0 H MET A 54 18.134 -8.152 -12.806 1.00 0.00 H new ATOM 0 HA MET A 54 16.408 -7.941 -15.097 1.00 0.00 H new ATOM 0 HB2 MET A 54 15.624 -7.962 -12.167 1.00 0.00 H new ATOM 0 HB3 MET A 54 14.669 -8.491 -13.538 1.00 0.00 H new ATOM 0 HG2 MET A 54 17.260 -9.837 -12.709 1.00 0.00 H new ATOM 0 HG3 MET A 54 15.691 -10.324 -12.099 1.00 0.00 H new ATOM 0 HE1 MET A 54 16.771 -13.116 -14.735 1.00 0.00 H new ATOM 0 HE2 MET A 54 17.878 -12.137 -13.744 1.00 0.00 H new ATOM 0 HE3 MET A 54 16.388 -12.794 -13.027 1.00 0.00 H new ATOM 789 N ASP A 55 16.874 -5.277 -14.675 1.00 0.00 N ATOM 790 CA ASP A 55 16.582 -3.849 -14.673 1.00 0.00 C ATOM 791 C ASP A 55 15.486 -3.516 -15.680 1.00 0.00 C ATOM 792 O ASP A 55 15.022 -4.385 -16.417 1.00 0.00 O ATOM 793 CB ASP A 55 17.846 -3.048 -14.994 1.00 0.00 C ATOM 794 CG ASP A 55 18.298 -3.231 -16.429 1.00 0.00 C ATOM 795 OD1 ASP A 55 17.801 -2.495 -17.307 1.00 0.00 O ATOM 796 OD2 ASP A 55 19.150 -4.111 -16.675 1.00 0.00 O ATOM 0 H ASP A 55 17.676 -5.543 -15.247 1.00 0.00 H new ATOM 0 HA ASP A 55 16.231 -3.577 -13.678 1.00 0.00 H new ATOM 0 HB2 ASP A 55 17.660 -1.990 -14.807 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.647 -3.354 -14.322 1.00 0.00 H new ATOM 801 N GLY A 56 15.074 -2.252 -15.704 1.00 0.00 N ATOM 802 CA GLY A 56 14.034 -1.828 -16.623 1.00 0.00 C ATOM 803 C GLY A 56 12.808 -2.718 -16.562 1.00 0.00 C ATOM 804 O GLY A 56 11.875 -2.449 -15.807 1.00 0.00 O ATOM 0 H GLY A 56 15.442 -1.514 -15.103 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.746 -0.802 -16.393 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.429 -1.828 -17.639 1.00 0.00 H new ATOM 808 N ASN A 57 12.810 -3.780 -17.360 1.00 0.00 N ATOM 809 CA ASN A 57 11.688 -4.711 -17.396 1.00 0.00 C ATOM 810 C ASN A 57 12.138 -6.119 -17.016 1.00 0.00 C ATOM 811 O ASN A 57 13.299 -6.492 -17.181 1.00 0.00 O ATOM 812 CB ASN A 57 11.053 -4.725 -18.788 1.00 0.00 C ATOM 813 CG ASN A 57 11.209 -3.399 -19.507 1.00 0.00 C ATOM 814 OD1 ASN A 57 10.238 -2.666 -19.699 1.00 0.00 O ATOM 815 ND2 ASN A 57 12.435 -3.085 -19.909 1.00 0.00 N ATOM 0 H ASN A 57 13.576 -4.018 -17.990 1.00 0.00 H new ATOM 0 HA ASN A 57 10.947 -4.376 -16.670 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.509 -5.515 -19.385 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.993 -4.965 -18.699 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.602 -2.206 -20.399 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.210 -3.723 -19.728 1.00 0.00 H new ATOM 822 N PRO A 58 11.196 -6.920 -16.495 1.00 0.00 N ATOM 823 CA PRO A 58 9.811 -6.486 -16.293 1.00 0.00 C ATOM 824 C PRO A 58 9.684 -5.450 -15.181 1.00 0.00 C ATOM 825 O PRO A 58 10.355 -5.524 -14.152 1.00 0.00 O ATOM 826 CB PRO A 58 9.087 -7.778 -15.905 1.00 0.00 C ATOM 827 CG PRO A 58 10.148 -8.645 -15.320 1.00 0.00 C ATOM 828 CD PRO A 58 11.413 -8.311 -16.062 1.00 0.00 C ATOM 0 HA PRO A 58 9.402 -6.002 -17.180 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.292 -7.585 -15.185 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.625 -8.249 -16.773 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.261 -8.457 -14.252 1.00 0.00 H new ATOM 0 HG3 PRO A 58 9.896 -9.700 -15.433 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.290 -8.400 -15.421 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.569 -8.977 -16.911 1.00 0.00 H new ATOM 836 N PRO A 59 8.802 -4.461 -15.391 1.00 0.00 N ATOM 837 CA PRO A 59 8.566 -3.392 -14.416 1.00 0.00 C ATOM 838 C PRO A 59 7.853 -3.895 -13.165 1.00 0.00 C ATOM 839 O PRO A 59 7.498 -5.070 -13.071 1.00 0.00 O ATOM 840 CB PRO A 59 7.676 -2.407 -15.179 1.00 0.00 C ATOM 841 CG PRO A 59 6.990 -3.236 -16.209 1.00 0.00 C ATOM 842 CD PRO A 59 7.968 -4.311 -16.595 1.00 0.00 C ATOM 0 HA PRO A 59 9.498 -2.956 -14.056 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.958 -1.926 -14.515 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.266 -1.614 -15.638 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.071 -3.668 -15.813 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.712 -2.633 -17.073 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.462 -5.242 -16.852 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.562 -4.022 -17.462 1.00 0.00 H new ATOM 850 N LEU A 60 7.646 -2.998 -12.208 1.00 0.00 N ATOM 851 CA LEU A 60 6.974 -3.350 -10.961 1.00 0.00 C ATOM 852 C LEU A 60 5.653 -4.061 -11.237 1.00 0.00 C ATOM 853 O LEU A 60 5.031 -3.882 -12.284 1.00 0.00 O ATOM 854 CB LEU A 60 6.726 -2.097 -10.120 1.00 0.00 C ATOM 855 CG LEU A 60 7.964 -1.454 -9.493 1.00 0.00 C ATOM 856 CD1 LEU A 60 7.668 -0.022 -9.076 1.00 0.00 C ATOM 857 CD2 LEU A 60 8.442 -2.271 -8.301 1.00 0.00 C ATOM 0 H LEU A 60 7.933 -2.021 -12.271 1.00 0.00 H new ATOM 0 HA LEU A 60 7.622 -4.029 -10.407 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.234 -1.354 -10.747 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.029 -2.352 -9.321 1.00 0.00 H new ATOM 0 HG LEU A 60 8.759 -1.436 -10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.560 0.419 -8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.373 0.558 -9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.858 -0.016 -8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.324 -1.799 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.651 -2.320 -7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.694 -3.279 -8.629 1.00 0.00 H new ATOM 869 N PRO A 61 5.213 -4.886 -10.276 1.00 0.00 N ATOM 870 CA PRO A 61 3.960 -5.639 -10.390 1.00 0.00 C ATOM 871 C PRO A 61 2.733 -4.737 -10.314 1.00 0.00 C ATOM 872 O PRO A 61 2.639 -3.874 -9.442 1.00 0.00 O ATOM 873 CB PRO A 61 4.003 -6.585 -9.188 1.00 0.00 C ATOM 874 CG PRO A 61 4.880 -5.900 -8.198 1.00 0.00 C ATOM 875 CD PRO A 61 5.904 -5.148 -9.002 1.00 0.00 C ATOM 0 HA PRO A 61 3.878 -6.150 -11.349 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.006 -6.755 -8.782 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.405 -7.560 -9.465 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.303 -5.222 -7.569 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.358 -6.621 -7.535 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.202 -4.223 -8.509 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.810 -5.736 -9.150 1.00 0.00 H new ATOM 883 N GLU A 62 1.795 -4.942 -11.234 1.00 0.00 N ATOM 884 CA GLU A 62 0.574 -4.146 -11.270 1.00 0.00 C ATOM 885 C GLU A 62 -0.174 -4.237 -9.943 1.00 0.00 C ATOM 886 O GLU A 62 -0.740 -3.253 -9.468 1.00 0.00 O ATOM 887 CB GLU A 62 -0.331 -4.611 -12.412 1.00 0.00 C ATOM 888 CG GLU A 62 0.229 -4.314 -13.793 1.00 0.00 C ATOM 889 CD GLU A 62 0.398 -2.828 -14.046 1.00 0.00 C ATOM 890 OE1 GLU A 62 -0.607 -2.163 -14.371 1.00 0.00 O ATOM 891 OE2 GLU A 62 1.537 -2.332 -13.918 1.00 0.00 O ATOM 0 H GLU A 62 1.858 -5.652 -11.964 1.00 0.00 H new ATOM 0 HA GLU A 62 0.853 -3.106 -11.439 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.496 -5.684 -12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.304 -4.129 -12.312 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.193 -4.810 -13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.435 -4.734 -14.548 1.00 0.00 H new ATOM 898 N SER A 63 -0.172 -5.427 -9.350 1.00 0.00 N ATOM 899 CA SER A 63 -0.854 -5.649 -8.081 1.00 0.00 C ATOM 900 C SER A 63 0.147 -5.968 -6.975 1.00 0.00 C ATOM 901 O SER A 63 1.297 -6.316 -7.244 1.00 0.00 O ATOM 902 CB SER A 63 -1.865 -6.791 -8.213 1.00 0.00 C ATOM 903 OG SER A 63 -1.209 -8.038 -8.365 1.00 0.00 O ATOM 0 H SER A 63 0.294 -6.252 -9.728 1.00 0.00 H new ATOM 0 HA SER A 63 -1.383 -4.733 -7.817 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.505 -6.818 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.513 -6.610 -9.071 1.00 0.00 H new ATOM 0 HG SER A 63 -1.876 -8.751 -8.445 1.00 0.00 H new ATOM 909 N PHE A 64 -0.298 -5.845 -5.729 1.00 0.00 N ATOM 910 CA PHE A 64 0.558 -6.119 -4.580 1.00 0.00 C ATOM 911 C PHE A 64 -0.258 -6.161 -3.291 1.00 0.00 C ATOM 912 O PHE A 64 -1.253 -5.450 -3.150 1.00 0.00 O ATOM 913 CB PHE A 64 1.653 -5.056 -4.469 1.00 0.00 C ATOM 914 CG PHE A 64 2.296 -4.997 -3.113 1.00 0.00 C ATOM 915 CD1 PHE A 64 1.622 -4.444 -2.036 1.00 0.00 C ATOM 916 CD2 PHE A 64 3.573 -5.495 -2.915 1.00 0.00 C ATOM 917 CE1 PHE A 64 2.212 -4.388 -0.787 1.00 0.00 C ATOM 918 CE2 PHE A 64 4.168 -5.442 -1.669 1.00 0.00 C ATOM 919 CZ PHE A 64 3.486 -4.889 -0.603 1.00 0.00 C ATOM 0 H PHE A 64 -1.247 -5.557 -5.489 1.00 0.00 H new ATOM 0 HA PHE A 64 1.021 -7.095 -4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.420 -5.256 -5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.226 -4.081 -4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.625 -4.052 -2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.110 -5.930 -3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.677 -3.953 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.165 -5.833 -1.529 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.948 -4.848 0.372 1.00 0.00 H new ATOM 929 N TYR A 65 0.170 -7.001 -2.355 1.00 0.00 N ATOM 930 CA TYR A 65 -0.522 -7.139 -1.079 1.00 0.00 C ATOM 931 C TYR A 65 0.462 -7.069 0.085 1.00 0.00 C ATOM 932 O TYR A 65 1.368 -7.895 0.198 1.00 0.00 O ATOM 933 CB TYR A 65 -1.290 -8.461 -1.032 1.00 0.00 C ATOM 934 CG TYR A 65 -2.617 -8.416 -1.757 1.00 0.00 C ATOM 935 CD1 TYR A 65 -3.565 -7.448 -1.451 1.00 0.00 C ATOM 936 CD2 TYR A 65 -2.922 -9.342 -2.747 1.00 0.00 C ATOM 937 CE1 TYR A 65 -4.779 -7.404 -2.110 1.00 0.00 C ATOM 938 CE2 TYR A 65 -4.132 -9.305 -3.411 1.00 0.00 C ATOM 939 CZ TYR A 65 -5.057 -8.334 -3.090 1.00 0.00 C ATOM 940 OH TYR A 65 -6.264 -8.294 -3.749 1.00 0.00 O ATOM 0 H TYR A 65 0.992 -7.596 -2.456 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.227 -6.313 -0.986 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.673 -9.246 -1.469 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.463 -8.734 0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.350 -6.717 -0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.200 -10.104 -3.002 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.506 -6.646 -1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.353 -10.033 -4.178 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.300 -9.017 -4.409 1.00 0.00 H new ATOM 950 N CYS A 66 0.277 -6.076 0.948 1.00 0.00 N ATOM 951 CA CYS A 66 1.147 -5.896 2.104 1.00 0.00 C ATOM 952 C CYS A 66 1.172 -7.153 2.968 1.00 0.00 C ATOM 953 O CYS A 66 0.526 -8.150 2.648 1.00 0.00 O ATOM 954 CB CYS A 66 0.680 -4.700 2.938 1.00 0.00 C ATOM 955 SG CYS A 66 -0.878 -4.984 3.837 1.00 0.00 S ATOM 0 H CYS A 66 -0.468 -5.383 0.869 1.00 0.00 H new ATOM 0 HA CYS A 66 2.157 -5.706 1.741 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.460 -4.444 3.656 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.556 -3.839 2.281 1.00 0.00 H new ATOM 960 N GLU A 67 1.923 -7.097 4.064 1.00 0.00 N ATOM 961 CA GLU A 67 2.032 -8.232 4.973 1.00 0.00 C ATOM 962 C GLU A 67 0.749 -8.409 5.779 1.00 0.00 C ATOM 963 O GLU A 67 0.435 -9.510 6.232 1.00 0.00 O ATOM 964 CB GLU A 67 3.220 -8.044 5.919 1.00 0.00 C ATOM 965 CG GLU A 67 3.056 -6.876 6.877 1.00 0.00 C ATOM 966 CD GLU A 67 3.814 -7.075 8.175 1.00 0.00 C ATOM 967 OE1 GLU A 67 4.281 -8.206 8.422 1.00 0.00 O ATOM 968 OE2 GLU A 67 3.940 -6.098 8.943 1.00 0.00 O ATOM 0 H GLU A 67 2.464 -6.279 4.343 1.00 0.00 H new ATOM 0 HA GLU A 67 2.191 -9.129 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.363 -8.958 6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.124 -7.895 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.404 -5.963 6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.997 -6.737 7.096 1.00 0.00 H new ATOM 975 N ILE A 68 0.012 -7.318 5.954 1.00 0.00 N ATOM 976 CA ILE A 68 -1.237 -7.352 6.704 1.00 0.00 C ATOM 977 C ILE A 68 -2.345 -8.021 5.898 1.00 0.00 C ATOM 978 O ILE A 68 -3.291 -8.573 6.460 1.00 0.00 O ATOM 979 CB ILE A 68 -1.692 -5.936 7.105 1.00 0.00 C ATOM 980 CG1 ILE A 68 -0.597 -5.233 7.909 1.00 0.00 C ATOM 981 CG2 ILE A 68 -2.985 -6.002 7.905 1.00 0.00 C ATOM 982 CD1 ILE A 68 -0.637 -3.725 7.795 1.00 0.00 C ATOM 0 H ILE A 68 0.258 -6.399 5.586 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.047 -7.933 7.607 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.877 -5.360 6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.692 -5.513 8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.376 -5.589 7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.294 -4.994 8.181 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.764 -6.467 7.300 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.825 -6.592 8.807 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.168 -3.294 8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.512 -3.436 6.752 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.596 -3.358 8.161 1.00 0.00 H new ATOM 994 N CYS A 69 -2.221 -7.968 4.576 1.00 0.00 N ATOM 995 CA CYS A 69 -3.211 -8.570 3.690 1.00 0.00 C ATOM 996 C CYS A 69 -2.806 -9.991 3.307 1.00 0.00 C ATOM 997 O CYS A 69 -3.645 -10.889 3.239 1.00 0.00 O ATOM 998 CB CYS A 69 -3.381 -7.720 2.430 1.00 0.00 C ATOM 999 SG CYS A 69 -4.361 -6.205 2.682 1.00 0.00 S ATOM 0 H CYS A 69 -1.445 -7.514 4.094 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.161 -8.613 4.223 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.395 -7.444 2.055 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -3.858 -8.324 1.658 1.00 0.00 H new ATOM 1004 N ARG A 70 -1.515 -10.186 3.060 1.00 0.00 N ATOM 1005 CA ARG A 70 -0.999 -11.496 2.683 1.00 0.00 C ATOM 1006 C ARG A 70 -1.239 -12.515 3.794 1.00 0.00 C ATOM 1007 O ARG A 70 -1.547 -13.677 3.529 1.00 0.00 O ATOM 1008 CB ARG A 70 0.496 -11.409 2.371 1.00 0.00 C ATOM 1009 CG ARG A 70 1.386 -11.629 3.584 1.00 0.00 C ATOM 1010 CD ARG A 70 2.859 -11.582 3.211 1.00 0.00 C ATOM 1011 NE ARG A 70 3.290 -12.800 2.529 1.00 0.00 N ATOM 1012 CZ ARG A 70 4.563 -13.113 2.320 1.00 0.00 C ATOM 1013 NH1 ARG A 70 5.526 -12.303 2.738 1.00 0.00 N ATOM 1014 NH2 ARG A 70 4.876 -14.240 1.693 1.00 0.00 N ATOM 0 H ARG A 70 -0.807 -9.453 3.114 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.531 -11.825 1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.743 -12.150 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.713 -10.430 1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.175 -10.867 4.334 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.155 -12.594 4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.043 -10.722 2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.457 -11.440 4.111 1.00 0.00 H new ATOM 0 HE ARG A 70 2.574 -13.445 2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.290 -11.437 3.222 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.503 -12.546 2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.138 -14.866 1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.854 -14.480 1.533 1.00 0.00 H new ATOM 1028 N LEU A 71 -1.094 -12.071 5.038 1.00 0.00 N ATOM 1029 CA LEU A 71 -1.295 -12.943 6.189 1.00 0.00 C ATOM 1030 C LEU A 71 -2.768 -13.307 6.347 1.00 0.00 C ATOM 1031 O LEU A 71 -3.106 -14.441 6.688 1.00 0.00 O ATOM 1032 CB LEU A 71 -0.786 -12.265 7.463 1.00 0.00 C ATOM 1033 CG LEU A 71 -1.785 -11.363 8.188 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -2.691 -12.188 9.089 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -1.055 -10.299 8.994 1.00 0.00 C ATOM 0 H LEU A 71 -0.838 -11.112 5.275 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.730 -13.860 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.457 -13.039 8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.092 -11.671 7.209 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.404 -10.864 7.442 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.396 -11.530 9.597 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.240 -12.913 8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.087 -12.714 9.829 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.782 -9.666 9.503 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.412 -10.779 9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.448 -9.689 8.325 1.00 0.00 H new ATOM 1047 N THR A 72 -3.642 -12.337 6.096 1.00 0.00 N ATOM 1048 CA THR A 72 -5.078 -12.554 6.209 1.00 0.00 C ATOM 1049 C THR A 72 -5.617 -13.307 4.998 1.00 0.00 C ATOM 1050 O THR A 72 -6.120 -12.701 4.052 1.00 0.00 O ATOM 1051 CB THR A 72 -5.839 -11.222 6.351 1.00 0.00 C ATOM 1052 OG1 THR A 72 -5.603 -10.399 5.204 1.00 0.00 O ATOM 1053 CG2 THR A 72 -5.406 -10.484 7.609 1.00 0.00 C ATOM 0 H THR A 72 -3.379 -11.393 5.813 1.00 0.00 H new ATOM 0 HA THR A 72 -5.237 -13.152 7.106 1.00 0.00 H new ATOM 0 HB THR A 72 -6.904 -11.443 6.426 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.720 -10.932 4.390 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.956 -9.547 7.688 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.613 -11.102 8.483 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.338 -10.274 7.558 1.00 0.00 H new ATOM 1061 N SER A 73 -5.510 -14.631 5.034 1.00 0.00 N ATOM 1062 CA SER A 73 -5.984 -15.467 3.938 1.00 0.00 C ATOM 1063 C SER A 73 -6.399 -16.845 4.445 1.00 0.00 C ATOM 1064 O SER A 73 -5.650 -17.506 5.163 1.00 0.00 O ATOM 1065 CB SER A 73 -4.897 -15.610 2.870 1.00 0.00 C ATOM 1066 OG SER A 73 -5.452 -16.002 1.627 1.00 0.00 O ATOM 0 H SER A 73 -5.099 -15.148 5.811 1.00 0.00 H new ATOM 0 HA SER A 73 -6.856 -14.984 3.497 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.370 -14.663 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.161 -16.347 3.192 1.00 0.00 H new ATOM 0 HG SER A 73 -4.738 -16.085 0.961 1.00 0.00 H new ATOM 1072 N GLY A 74 -7.599 -17.272 4.064 1.00 0.00 N ATOM 1073 CA GLY A 74 -8.094 -18.569 4.489 1.00 0.00 C ATOM 1074 C GLY A 74 -9.288 -18.458 5.417 1.00 0.00 C ATOM 1075 O GLY A 74 -9.146 -18.279 6.627 1.00 0.00 O ATOM 0 H GLY A 74 -8.237 -16.744 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.372 -19.153 3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.295 -19.112 4.993 1.00 0.00 H new ATOM 1079 N PRO A 75 -10.497 -18.563 4.847 1.00 0.00 N ATOM 1080 CA PRO A 75 -11.744 -18.475 5.613 1.00 0.00 C ATOM 1081 C PRO A 75 -11.956 -19.686 6.515 1.00 0.00 C ATOM 1082 O PRO A 75 -12.542 -19.574 7.592 1.00 0.00 O ATOM 1083 CB PRO A 75 -12.823 -18.421 4.529 1.00 0.00 C ATOM 1084 CG PRO A 75 -12.210 -19.093 3.349 1.00 0.00 C ATOM 1085 CD PRO A 75 -10.741 -18.776 3.410 1.00 0.00 C ATOM 0 HA PRO A 75 -11.751 -17.616 6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -13.731 -18.933 4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -13.101 -17.393 4.298 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.379 -20.169 3.381 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -12.650 -18.729 2.420 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.137 -19.594 3.017 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.497 -17.889 2.825 1.00 0.00 H new ATOM 1093 N SER A 76 -11.476 -20.842 6.070 1.00 0.00 N ATOM 1094 CA SER A 76 -11.616 -22.075 6.836 1.00 0.00 C ATOM 1095 C SER A 76 -10.658 -22.088 8.024 1.00 0.00 C ATOM 1096 O SER A 76 -9.486 -21.735 7.894 1.00 0.00 O ATOM 1097 CB SER A 76 -11.354 -23.289 5.942 1.00 0.00 C ATOM 1098 OG SER A 76 -10.016 -23.301 5.477 1.00 0.00 O ATOM 0 H SER A 76 -10.986 -20.951 5.182 1.00 0.00 H new ATOM 0 HA SER A 76 -12.637 -22.125 7.214 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.557 -24.204 6.498 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.037 -23.273 5.093 1.00 0.00 H new ATOM 0 HG SER A 76 -9.874 -24.087 4.910 1.00 0.00 H new ATOM 1104 N SER A 77 -11.167 -22.497 9.182 1.00 0.00 N ATOM 1105 CA SER A 77 -10.359 -22.553 10.394 1.00 0.00 C ATOM 1106 C SER A 77 -11.051 -23.383 11.471 1.00 0.00 C ATOM 1107 O SER A 77 -12.269 -23.561 11.446 1.00 0.00 O ATOM 1108 CB SER A 77 -10.090 -21.141 10.918 1.00 0.00 C ATOM 1109 OG SER A 77 -9.404 -21.179 12.158 1.00 0.00 O ATOM 0 H SER A 77 -12.135 -22.794 9.306 1.00 0.00 H new ATOM 0 HA SER A 77 -9.410 -23.029 10.147 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.500 -20.586 10.189 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.033 -20.608 11.037 1.00 0.00 H new ATOM 0 HG SER A 77 -9.243 -20.264 12.471 1.00 0.00 H new ATOM 1115 N GLY A 78 -10.265 -23.890 12.416 1.00 0.00 N ATOM 1116 CA GLY A 78 -10.819 -24.696 13.488 1.00 0.00 C ATOM 1117 C GLY A 78 -9.906 -25.839 13.885 1.00 0.00 C ATOM 1118 O GLY A 78 -10.100 -26.955 13.405 1.00 0.00 O ATOM 0 H GLY A 78 -9.255 -23.757 12.458 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.003 -24.063 14.356 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.783 -25.097 13.176 1.00 0.00 H new TER 1122 GLY A 78 HETATM 1123 ZN ZN A 201 10.078 -0.626 4.983 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -2.792 -4.435 2.614 1.00 0.00 ZN