USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 595 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 59 ASN : amide:sc= 0.821 K(o=2.1,f=-7.3!) USER MOD Set 1.2: A 60 LYS NZ :NH3+ -165:sc= 1.24 (180deg=0.463) USER MOD Set 2.1: A 12 TYR OH : rot 3:sc= 1.2 USER MOD Set 2.2: A 48 GLN : amide:sc= 1.67 K(o=2.9,f=-1.2) USER MOD Set 3.1: A 17 SER OG : rot 21:sc= 1.93 USER MOD Set 3.2: A 47 HIS : no HE2:sc= 1.19 K(o=3.1,f=-5.6!) USER MOD Set 4.1: A 3 THR OG1 : rot 23:sc= 0.765 USER MOD Set 4.2: A 5 GLN : amide:sc= 0.922 K(o=1.7,f=-4.2!) USER MOD Single : A 1 LYS N :NH3+ 136:sc= 0.0431 (180deg=-0.0498) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 178:sc= 0 (180deg=-0.0125) USER MOD Single : A 9 ASN : amide:sc= 0.826 K(o=0.83,f=-2.2) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0169) USER MOD Single : A 14 SER OG : rot 180:sc= 0.414 USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 1.08 (180deg=0.78) USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= 1.27 (180deg=0.408) USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0227) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0.641 (180deg=0.631) USER MOD Single : A 26 TYR OH : rot 110:sc= 1.23 USER MOD Single : A 38 ASN : amide:sc= 1.17 K(o=1.2,f=-3!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= 1.36 (180deg=1.02) USER MOD Single : A 66 SER OG : rot -167:sc= 1.23 USER MOD Single : A 74 ASN : amide:sc= 0.0391 K(o=0.039,f=-11!) USER MOD Single : A 75 MET CE :methyl -176:sc= 0 (180deg=-0.0413) USER MOD Single : A 79 TYR OH : rot 143:sc= 1.25 USER MOD Single : A 82 THR OG1 : rot -26:sc= 1.46 USER MOD Single : A 84 ASN : amide:sc= 0.943 K(o=0.94,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 4.842 1.293 -8.468 1.00 0.00 N ATOM 2 CA LYS A 1 4.639 2.518 -7.672 1.00 0.00 C ATOM 3 C LYS A 1 3.988 3.606 -8.527 1.00 0.00 C ATOM 4 O LYS A 1 4.271 3.693 -9.721 1.00 0.00 O ATOM 5 CB LYS A 1 5.956 2.985 -7.037 1.00 0.00 C ATOM 6 CG LYS A 1 7.025 3.403 -8.057 1.00 0.00 C ATOM 7 CD LYS A 1 8.347 3.687 -7.336 1.00 0.00 C ATOM 8 CE LYS A 1 9.390 4.264 -8.298 1.00 0.00 C ATOM 9 NZ LYS A 1 10.653 4.553 -7.596 1.00 0.00 N ATOM 0 H1 LYS A 1 5.790 0.910 -8.279 1.00 0.00 H new ATOM 0 H2 LYS A 1 4.125 0.587 -8.207 1.00 0.00 H new ATOM 0 H3 LYS A 1 4.755 1.518 -9.480 1.00 0.00 H new ATOM 0 HA LYS A 1 3.956 2.296 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 1 5.751 3.826 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 1 6.354 2.182 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 1 7.165 2.613 -8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 1 6.697 4.291 -8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 1 8.175 4.388 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 1 8.727 2.767 -6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 1 9.573 3.558 -9.108 1.00 0.00 H new ATOM 0 HE3 LYS A 1 9.005 5.177 -8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 11.343 4.943 -8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 10.479 5.245 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 11.029 3.676 -7.183 1.00 0.00 H new ATOM 25 N ALA A 2 3.107 4.417 -7.938 1.00 0.00 N ATOM 26 CA ALA A 2 2.381 5.435 -8.675 1.00 0.00 C ATOM 27 C ALA A 2 3.187 6.728 -8.652 1.00 0.00 C ATOM 28 O ALA A 2 3.294 7.373 -7.612 1.00 0.00 O ATOM 29 CB ALA A 2 0.992 5.621 -8.065 1.00 0.00 C ATOM 0 H ALA A 2 2.883 4.382 -6.944 1.00 0.00 H new ATOM 0 HA ALA A 2 2.245 5.132 -9.713 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.450 6.386 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.444 4.680 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.090 5.930 -7.024 1.00 0.00 H new ATOM 35 N THR A 3 3.767 7.100 -9.791 1.00 0.00 N ATOM 36 CA THR A 3 4.430 8.379 -9.985 1.00 0.00 C ATOM 37 C THR A 3 3.387 9.507 -10.074 1.00 0.00 C ATOM 38 O THR A 3 2.207 9.296 -9.791 1.00 0.00 O ATOM 39 CB THR A 3 5.338 8.255 -11.224 1.00 0.00 C ATOM 40 OG1 THR A 3 4.756 7.420 -12.209 1.00 0.00 O ATOM 41 CG2 THR A 3 6.669 7.610 -10.825 1.00 0.00 C ATOM 0 H THR A 3 3.787 6.505 -10.620 1.00 0.00 H new ATOM 0 HA THR A 3 5.063 8.643 -9.138 1.00 0.00 H new ATOM 0 HB THR A 3 5.480 9.260 -11.623 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.785 7.391 -12.081 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.309 7.524 -11.703 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.163 8.228 -10.075 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.483 6.618 -10.412 1.00 0.00 H new ATOM 49 N MET A 4 3.805 10.721 -10.449 1.00 0.00 N ATOM 50 CA MET A 4 2.939 11.891 -10.541 1.00 0.00 C ATOM 51 C MET A 4 1.986 11.787 -11.742 1.00 0.00 C ATOM 52 O MET A 4 2.124 12.510 -12.725 1.00 0.00 O ATOM 53 CB MET A 4 3.827 13.146 -10.580 1.00 0.00 C ATOM 54 CG MET A 4 3.020 14.445 -10.436 1.00 0.00 C ATOM 55 SD MET A 4 3.987 15.904 -9.965 1.00 0.00 S ATOM 56 CE MET A 4 5.159 15.988 -11.337 1.00 0.00 C ATOM 0 H MET A 4 4.774 10.917 -10.701 1.00 0.00 H new ATOM 0 HA MET A 4 2.291 11.954 -9.667 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.564 13.090 -9.779 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.378 13.167 -11.520 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.520 14.650 -11.382 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.240 14.289 -9.690 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.804 16.858 -11.212 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.768 15.084 -11.351 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.613 16.073 -12.277 1.00 0.00 H new ATOM 66 N GLN A 5 1.015 10.875 -11.646 1.00 0.00 N ATOM 67 CA GLN A 5 0.033 10.560 -12.680 1.00 0.00 C ATOM 68 C GLN A 5 -1.402 10.584 -12.136 1.00 0.00 C ATOM 69 O GLN A 5 -2.357 10.678 -12.906 1.00 0.00 O ATOM 70 CB GLN A 5 0.382 9.191 -13.283 1.00 0.00 C ATOM 71 CG GLN A 5 0.180 8.030 -12.296 1.00 0.00 C ATOM 72 CD GLN A 5 1.088 6.856 -12.638 1.00 0.00 C ATOM 73 OE1 GLN A 5 2.150 6.697 -12.042 1.00 0.00 O ATOM 74 NE2 GLN A 5 0.698 6.035 -13.607 1.00 0.00 N ATOM 0 H GLN A 5 0.889 10.312 -10.805 1.00 0.00 H new ATOM 0 HA GLN A 5 0.074 11.324 -13.456 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.234 9.021 -14.166 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.420 9.201 -13.616 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.387 8.371 -11.282 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.861 7.707 -12.317 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.190 6.194 -14.083 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.286 5.246 -13.875 1.00 0.00 H new ATOM 83 N CYS A 6 -1.565 10.469 -10.816 1.00 0.00 N ATOM 84 CA CYS A 6 -2.857 10.289 -10.164 1.00 0.00 C ATOM 85 C CYS A 6 -3.626 11.609 -10.110 1.00 0.00 C ATOM 86 O CYS A 6 -3.850 12.160 -9.034 1.00 0.00 O ATOM 87 CB CYS A 6 -2.640 9.732 -8.755 1.00 0.00 C ATOM 88 SG CYS A 6 -1.733 8.177 -8.675 1.00 0.00 S ATOM 0 H CYS A 6 -0.784 10.499 -10.160 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.452 9.582 -10.741 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.105 10.477 -8.166 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -3.613 9.591 -8.284 1.00 0.00 H new ATOM 93 N GLY A 7 -4.060 12.105 -11.268 1.00 0.00 N ATOM 94 CA GLY A 7 -4.841 13.327 -11.415 1.00 0.00 C ATOM 95 C GLY A 7 -6.294 13.120 -10.984 1.00 0.00 C ATOM 96 O GLY A 7 -7.219 13.403 -11.740 1.00 0.00 O ATOM 0 H GLY A 7 -3.869 11.649 -12.160 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.393 14.120 -10.817 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.812 13.656 -12.454 1.00 0.00 H new ATOM 100 N GLU A 8 -6.476 12.622 -9.763 1.00 0.00 N ATOM 101 CA GLU A 8 -7.734 12.526 -9.049 1.00 0.00 C ATOM 102 C GLU A 8 -7.550 13.352 -7.772 1.00 0.00 C ATOM 103 O GLU A 8 -6.786 14.317 -7.783 1.00 0.00 O ATOM 104 CB GLU A 8 -8.038 11.040 -8.811 1.00 0.00 C ATOM 105 CG GLU A 8 -6.885 10.293 -8.124 1.00 0.00 C ATOM 106 CD GLU A 8 -7.334 8.924 -7.627 1.00 0.00 C ATOM 107 OE1 GLU A 8 -7.884 8.889 -6.506 1.00 0.00 O ATOM 108 OE2 GLU A 8 -7.143 7.951 -8.387 1.00 0.00 O ATOM 0 H GLU A 8 -5.697 12.254 -9.218 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.594 12.921 -9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.936 10.952 -8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.255 10.562 -9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.057 10.175 -8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.514 10.883 -7.286 1.00 0.00 H new ATOM 115 N ASN A 9 -8.148 12.961 -6.642 1.00 0.00 N ATOM 116 CA ASN A 9 -7.889 13.635 -5.372 1.00 0.00 C ATOM 117 C ASN A 9 -6.544 13.194 -4.780 1.00 0.00 C ATOM 118 O ASN A 9 -6.470 12.872 -3.595 1.00 0.00 O ATOM 119 CB ASN A 9 -9.062 13.413 -4.406 1.00 0.00 C ATOM 120 CG ASN A 9 -9.006 14.365 -3.210 1.00 0.00 C ATOM 121 OD1 ASN A 9 -8.183 15.271 -3.150 1.00 0.00 O ATOM 122 ND2 ASN A 9 -9.903 14.188 -2.247 1.00 0.00 N ATOM 0 H ASN A 9 -8.809 12.187 -6.584 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.812 14.708 -5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -10.002 13.555 -4.939 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.049 12.383 -4.050 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.915 14.812 -1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.580 13.428 -2.314 1.00 0.00 H new ATOM 129 N GLU A 10 -5.480 13.157 -5.591 1.00 0.00 N ATOM 130 CA GLU A 10 -4.159 12.743 -5.155 1.00 0.00 C ATOM 131 C GLU A 10 -3.096 13.718 -5.658 1.00 0.00 C ATOM 132 O GLU A 10 -3.348 14.530 -6.545 1.00 0.00 O ATOM 133 CB GLU A 10 -3.874 11.305 -5.612 1.00 0.00 C ATOM 134 CG GLU A 10 -4.754 10.289 -4.869 1.00 0.00 C ATOM 135 CD GLU A 10 -4.266 8.864 -5.096 1.00 0.00 C ATOM 136 OE1 GLU A 10 -4.583 8.322 -6.176 1.00 0.00 O ATOM 137 OE2 GLU A 10 -3.576 8.353 -4.188 1.00 0.00 O ATOM 0 H GLU A 10 -5.522 13.418 -6.576 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.125 12.758 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.049 11.222 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.823 11.070 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.749 10.512 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.786 10.381 -5.209 1.00 0.00 H new ATOM 144 N LYS A 11 -1.911 13.630 -5.057 1.00 0.00 N ATOM 145 CA LYS A 11 -0.735 14.425 -5.342 1.00 0.00 C ATOM 146 C LYS A 11 0.469 13.500 -5.157 1.00 0.00 C ATOM 147 O LYS A 11 0.402 12.545 -4.382 1.00 0.00 O ATOM 148 CB LYS A 11 -0.709 15.619 -4.373 1.00 0.00 C ATOM 149 CG LYS A 11 0.391 16.639 -4.695 1.00 0.00 C ATOM 150 CD LYS A 11 0.435 17.795 -3.682 1.00 0.00 C ATOM 151 CE LYS A 11 -0.887 18.562 -3.534 1.00 0.00 C ATOM 152 NZ LYS A 11 -1.397 19.045 -4.829 1.00 0.00 N ATOM 0 H LYS A 11 -1.744 12.955 -4.311 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.726 14.828 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.677 16.119 -4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.567 15.250 -3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.357 16.135 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.228 17.042 -5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.721 17.397 -2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.215 18.495 -3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.631 17.914 -3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.741 19.409 -2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.234 19.642 -4.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.660 19.601 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.658 18.233 -5.424 1.00 0.00 H new ATOM 166 N TYR A 12 1.557 13.762 -5.881 1.00 0.00 N ATOM 167 CA TYR A 12 2.810 13.046 -5.708 1.00 0.00 C ATOM 168 C TYR A 12 3.432 13.432 -4.367 1.00 0.00 C ATOM 169 O TYR A 12 3.616 14.620 -4.111 1.00 0.00 O ATOM 170 CB TYR A 12 3.739 13.384 -6.873 1.00 0.00 C ATOM 171 CG TYR A 12 5.087 12.694 -6.827 1.00 0.00 C ATOM 172 CD1 TYR A 12 5.194 11.323 -7.131 1.00 0.00 C ATOM 173 CD2 TYR A 12 6.245 13.440 -6.544 1.00 0.00 C ATOM 174 CE1 TYR A 12 6.460 10.718 -7.214 1.00 0.00 C ATOM 175 CE2 TYR A 12 7.509 12.832 -6.621 1.00 0.00 C ATOM 176 CZ TYR A 12 7.619 11.481 -6.983 1.00 0.00 C ATOM 177 OH TYR A 12 8.857 10.937 -7.151 1.00 0.00 O ATOM 0 H TYR A 12 1.589 14.480 -6.605 1.00 0.00 H new ATOM 0 HA TYR A 12 2.639 11.969 -5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.242 13.118 -7.806 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.898 14.462 -6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.303 10.736 -7.300 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.163 14.481 -6.267 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.543 9.668 -7.455 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.397 13.405 -6.401 1.00 0.00 H new ATOM 0 HH TYR A 12 8.769 10.017 -7.477 1.00 0.00 H new ATOM 187 N ASP A 13 3.755 12.444 -3.529 1.00 0.00 N ATOM 188 CA ASP A 13 4.477 12.641 -2.281 1.00 0.00 C ATOM 189 C ASP A 13 5.822 11.922 -2.357 1.00 0.00 C ATOM 190 O ASP A 13 5.969 10.927 -3.067 1.00 0.00 O ATOM 191 CB ASP A 13 3.640 12.125 -1.104 1.00 0.00 C ATOM 192 CG ASP A 13 4.378 12.201 0.229 1.00 0.00 C ATOM 193 OD1 ASP A 13 5.016 13.251 0.467 1.00 0.00 O ATOM 194 OD2 ASP A 13 4.305 11.208 0.982 1.00 0.00 O ATOM 0 H ASP A 13 3.515 11.469 -3.707 1.00 0.00 H new ATOM 0 HA ASP A 13 4.659 13.704 -2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.720 12.705 -1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.352 11.091 -1.295 1.00 0.00 H new ATOM 199 N SER A 14 6.789 12.454 -1.608 1.00 0.00 N ATOM 200 CA SER A 14 8.086 11.877 -1.336 1.00 0.00 C ATOM 201 C SER A 14 7.914 10.802 -0.260 1.00 0.00 C ATOM 202 O SER A 14 7.616 9.652 -0.559 1.00 0.00 O ATOM 203 CB SER A 14 9.052 12.999 -0.937 1.00 0.00 C ATOM 204 OG SER A 14 8.483 13.762 0.113 1.00 0.00 O ATOM 0 H SER A 14 6.669 13.358 -1.150 1.00 0.00 H new ATOM 0 HA SER A 14 8.516 11.392 -2.213 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.005 12.577 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.258 13.639 -1.795 1.00 0.00 H new ATOM 0 HG SER A 14 9.101 14.478 0.369 1.00 0.00 H new ATOM 210 N CYS A 15 8.198 11.153 0.991 1.00 0.00 N ATOM 211 CA CYS A 15 8.207 10.233 2.120 1.00 0.00 C ATOM 212 C CYS A 15 6.827 9.625 2.398 1.00 0.00 C ATOM 213 O CYS A 15 6.203 9.968 3.401 1.00 0.00 O ATOM 214 CB CYS A 15 8.694 10.981 3.364 1.00 0.00 C ATOM 215 SG CYS A 15 8.938 9.946 4.829 1.00 0.00 S ATOM 0 H CYS A 15 8.434 12.110 1.252 1.00 0.00 H new ATOM 0 HA CYS A 15 8.876 9.409 1.871 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.635 11.477 3.127 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.974 11.763 3.605 1.00 0.00 H new ATOM 220 N GLY A 16 6.336 8.701 1.564 1.00 0.00 N ATOM 221 CA GLY A 16 5.090 8.050 1.919 1.00 0.00 C ATOM 222 C GLY A 16 4.344 7.287 0.842 1.00 0.00 C ATOM 223 O GLY A 16 3.525 7.855 0.124 1.00 0.00 O ATOM 0 H GLY A 16 6.762 8.405 0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.298 7.357 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.417 8.812 2.313 1.00 0.00 H new ATOM 227 N SER A 17 4.513 5.965 0.817 1.00 0.00 N ATOM 228 CA SER A 17 3.654 5.110 0.011 1.00 0.00 C ATOM 229 C SER A 17 2.391 4.898 0.848 1.00 0.00 C ATOM 230 O SER A 17 2.163 3.810 1.367 1.00 0.00 O ATOM 231 CB SER A 17 4.380 3.812 -0.319 1.00 0.00 C ATOM 232 OG SER A 17 5.517 4.124 -1.096 1.00 0.00 O ATOM 0 H SER A 17 5.233 5.469 1.343 1.00 0.00 H new ATOM 0 HA SER A 17 3.391 5.549 -0.952 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.675 3.299 0.596 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.721 3.137 -0.865 1.00 0.00 H new ATOM 0 HG SER A 17 5.758 5.064 -0.960 1.00 0.00 H new ATOM 238 N LYS A 18 1.619 5.979 1.008 1.00 0.00 N ATOM 239 CA LYS A 18 0.500 6.091 1.935 1.00 0.00 C ATOM 240 C LYS A 18 1.025 5.908 3.366 1.00 0.00 C ATOM 241 O LYS A 18 0.630 4.992 4.086 1.00 0.00 O ATOM 242 CB LYS A 18 -0.676 5.161 1.585 1.00 0.00 C ATOM 243 CG LYS A 18 -1.412 5.523 0.282 1.00 0.00 C ATOM 244 CD LYS A 18 -0.722 5.109 -1.028 1.00 0.00 C ATOM 245 CE LYS A 18 -0.553 3.590 -1.147 1.00 0.00 C ATOM 246 NZ LYS A 18 -0.105 3.216 -2.500 1.00 0.00 N ATOM 0 H LYS A 18 1.768 6.833 0.470 1.00 0.00 H new ATOM 0 HA LYS A 18 0.069 7.088 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.303 4.140 1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.391 5.176 2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.400 5.063 0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.563 6.602 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.305 5.474 -1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.256 5.586 -1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.171 3.242 -0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.498 3.096 -0.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.322 2.268 -2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.920 3.212 -3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.599 3.904 -2.835 1.00 0.00 H new ATOM 260 N GLU A 19 1.935 6.802 3.768 1.00 0.00 N ATOM 261 CA GLU A 19 2.480 6.850 5.121 1.00 0.00 C ATOM 262 C GLU A 19 1.414 7.273 6.138 1.00 0.00 C ATOM 263 O GLU A 19 0.297 7.647 5.790 1.00 0.00 O ATOM 264 CB GLU A 19 3.687 7.812 5.166 1.00 0.00 C ATOM 265 CG GLU A 19 5.033 7.070 5.203 1.00 0.00 C ATOM 266 CD GLU A 19 5.411 6.549 6.580 1.00 0.00 C ATOM 267 OE1 GLU A 19 4.607 6.729 7.523 1.00 0.00 O ATOM 268 OE2 GLU A 19 6.493 5.932 6.667 1.00 0.00 O ATOM 0 H GLU A 19 2.316 7.520 3.152 1.00 0.00 H new ATOM 0 HA GLU A 19 2.812 5.848 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.660 8.464 4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.605 8.452 6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.994 6.233 4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.817 7.741 4.851 1.00 0.00 H new ATOM 275 N CYS A 20 1.821 7.292 7.410 1.00 0.00 N ATOM 276 CA CYS A 20 1.054 7.849 8.521 1.00 0.00 C ATOM 277 C CYS A 20 0.773 9.345 8.333 1.00 0.00 C ATOM 278 O CYS A 20 -0.121 9.901 8.968 1.00 0.00 O ATOM 279 CB CYS A 20 1.815 7.571 9.814 1.00 0.00 C ATOM 280 SG CYS A 20 1.265 8.374 11.328 1.00 0.00 S ATOM 0 H CYS A 20 2.720 6.908 7.701 1.00 0.00 H new ATOM 0 HA CYS A 20 0.076 7.370 8.563 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.795 6.495 9.984 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.856 7.849 9.651 1.00 0.00 H new ATOM 285 N ASP A 21 1.535 9.995 7.450 1.00 0.00 N ATOM 286 CA ASP A 21 1.289 11.347 6.973 1.00 0.00 C ATOM 287 C ASP A 21 -0.213 11.556 6.766 1.00 0.00 C ATOM 288 O ASP A 21 -0.809 10.897 5.923 1.00 0.00 O ATOM 289 CB ASP A 21 2.042 11.542 5.647 1.00 0.00 C ATOM 290 CG ASP A 21 2.300 13.014 5.352 1.00 0.00 C ATOM 291 OD1 ASP A 21 1.305 13.731 5.116 1.00 0.00 O ATOM 292 OD2 ASP A 21 3.493 13.392 5.390 1.00 0.00 O ATOM 0 H ASP A 21 2.368 9.575 7.037 1.00 0.00 H new ATOM 0 HA ASP A 21 1.641 12.074 7.705 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.991 11.008 5.687 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.464 11.104 4.833 1.00 0.00 H new ATOM 297 N LYS A 22 -0.819 12.454 7.545 1.00 0.00 N ATOM 298 CA LYS A 22 -2.242 12.762 7.503 1.00 0.00 C ATOM 299 C LYS A 22 -3.163 11.523 7.383 1.00 0.00 C ATOM 300 O LYS A 22 -4.155 11.557 6.656 1.00 0.00 O ATOM 301 CB LYS A 22 -2.469 13.764 6.357 1.00 0.00 C ATOM 302 CG LYS A 22 -1.622 15.035 6.541 1.00 0.00 C ATOM 303 CD LYS A 22 -1.697 15.978 5.333 1.00 0.00 C ATOM 304 CE LYS A 22 -2.822 17.018 5.427 1.00 0.00 C ATOM 305 NZ LYS A 22 -4.159 16.407 5.389 1.00 0.00 N ATOM 0 H LYS A 22 -0.314 13.001 8.242 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.525 13.198 8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.218 13.293 5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.524 14.033 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.959 15.565 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.583 14.753 6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.744 16.496 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.838 15.385 4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.712 17.585 6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.727 17.727 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.867 17.135 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.182 15.667 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.375 15.986 6.315 1.00 0.00 H new ATOM 319 N LYS A 23 -2.898 10.449 8.140 1.00 0.00 N ATOM 320 CA LYS A 23 -3.685 9.208 8.086 1.00 0.00 C ATOM 321 C LYS A 23 -5.112 9.268 8.665 1.00 0.00 C ATOM 322 O LYS A 23 -5.783 8.239 8.694 1.00 0.00 O ATOM 323 CB LYS A 23 -2.862 8.020 8.617 1.00 0.00 C ATOM 324 CG LYS A 23 -2.373 8.102 10.075 1.00 0.00 C ATOM 325 CD LYS A 23 -3.455 7.945 11.145 1.00 0.00 C ATOM 326 CE LYS A 23 -4.191 6.600 11.134 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.267 5.465 11.301 1.00 0.00 N ATOM 0 H LYS A 23 -2.129 10.416 8.809 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.886 9.052 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.464 7.117 8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.990 7.898 7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.619 7.330 10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.880 9.063 10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.998 8.083 12.125 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.187 8.743 11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.932 6.585 11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.733 6.491 10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.811 4.580 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.618 5.423 10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.719 5.589 12.176 1.00 0.00 H new ATOM 341 N CYS A 24 -5.594 10.422 9.146 1.00 0.00 N ATOM 342 CA CYS A 24 -6.919 10.554 9.772 1.00 0.00 C ATOM 343 C CYS A 24 -7.146 11.970 10.308 1.00 0.00 C ATOM 344 O CYS A 24 -7.947 12.715 9.754 1.00 0.00 O ATOM 345 CB CYS A 24 -7.100 9.535 10.913 1.00 0.00 C ATOM 346 SG CYS A 24 -8.252 9.978 12.232 1.00 0.00 S ATOM 0 H CYS A 24 -5.072 11.298 9.112 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.658 10.352 8.997 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.431 8.593 10.476 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.124 9.353 11.363 1.00 0.00 H new ATOM 351 N LYS A 25 -6.439 12.308 11.391 1.00 0.00 N ATOM 352 CA LYS A 25 -6.594 13.481 12.236 1.00 0.00 C ATOM 353 C LYS A 25 -8.042 13.650 12.696 1.00 0.00 C ATOM 354 O LYS A 25 -8.850 14.256 12.003 1.00 0.00 O ATOM 355 CB LYS A 25 -6.027 14.738 11.570 1.00 0.00 C ATOM 356 CG LYS A 25 -6.100 16.001 12.444 1.00 0.00 C ATOM 357 CD LYS A 25 -5.596 15.760 13.875 1.00 0.00 C ATOM 358 CE LYS A 25 -5.488 17.057 14.685 1.00 0.00 C ATOM 359 NZ LYS A 25 -4.417 17.938 14.186 1.00 0.00 N ATOM 0 H LYS A 25 -5.680 11.712 11.721 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.001 13.324 13.137 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.987 14.555 11.301 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.569 14.920 10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.508 16.792 11.983 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.131 16.354 12.480 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.272 15.073 14.384 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.620 15.277 13.836 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.440 17.587 14.647 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.299 16.815 15.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.325 18.762 14.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.518 17.415 14.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.651 18.260 13.225 1.00 0.00 H new ATOM 373 N TYR A 26 -8.358 13.156 13.895 1.00 0.00 N ATOM 374 CA TYR A 26 -9.676 13.357 14.473 1.00 0.00 C ATOM 375 C TYR A 26 -9.883 14.844 14.774 1.00 0.00 C ATOM 376 O TYR A 26 -10.645 15.524 14.097 1.00 0.00 O ATOM 377 CB TYR A 26 -9.858 12.502 15.737 1.00 0.00 C ATOM 378 CG TYR A 26 -9.733 11.005 15.537 1.00 0.00 C ATOM 379 CD1 TYR A 26 -8.465 10.403 15.581 1.00 0.00 C ATOM 380 CD2 TYR A 26 -10.880 10.202 15.398 1.00 0.00 C ATOM 381 CE1 TYR A 26 -8.343 9.014 15.431 1.00 0.00 C ATOM 382 CE2 TYR A 26 -10.764 8.804 15.298 1.00 0.00 C ATOM 383 CZ TYR A 26 -9.487 8.214 15.284 1.00 0.00 C ATOM 384 OH TYR A 26 -9.353 6.861 15.236 1.00 0.00 O ATOM 0 H TYR A 26 -7.718 12.617 14.478 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.431 13.037 13.755 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.120 12.815 16.475 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.840 12.714 16.159 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.584 11.010 15.730 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.856 10.662 15.368 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.364 8.558 15.429 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.649 8.188 15.232 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.720 6.467 16.055 1.00 0.00 H new ATOM 394 N ASP A 27 -9.205 15.341 15.813 1.00 0.00 N ATOM 395 CA ASP A 27 -9.343 16.685 16.359 1.00 0.00 C ATOM 396 C ASP A 27 -8.502 16.738 17.635 1.00 0.00 C ATOM 397 O ASP A 27 -7.362 17.192 17.608 1.00 0.00 O ATOM 398 CB ASP A 27 -10.824 17.029 16.624 1.00 0.00 C ATOM 399 CG ASP A 27 -11.000 18.235 17.542 1.00 0.00 C ATOM 400 OD1 ASP A 27 -10.617 19.342 17.108 1.00 0.00 O ATOM 401 OD2 ASP A 27 -11.493 18.016 18.670 1.00 0.00 O ATOM 0 H ASP A 27 -8.513 14.786 16.317 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.989 17.432 15.649 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.321 17.226 15.674 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.318 16.165 17.069 1.00 0.00 H new ATOM 406 N GLY A 28 -9.069 16.241 18.737 1.00 0.00 N ATOM 407 CA GLY A 28 -8.453 16.229 20.055 1.00 0.00 C ATOM 408 C GLY A 28 -8.102 14.803 20.464 1.00 0.00 C ATOM 409 O GLY A 28 -6.972 14.527 20.863 1.00 0.00 O ATOM 0 H GLY A 28 -10.000 15.824 18.730 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.553 16.844 20.049 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.133 16.667 20.786 1.00 0.00 H new ATOM 413 N VAL A 29 -9.072 13.887 20.373 1.00 0.00 N ATOM 414 CA VAL A 29 -8.887 12.498 20.771 1.00 0.00 C ATOM 415 C VAL A 29 -8.088 11.768 19.684 1.00 0.00 C ATOM 416 O VAL A 29 -8.607 10.935 18.942 1.00 0.00 O ATOM 417 CB VAL A 29 -10.258 11.870 21.085 1.00 0.00 C ATOM 418 CG1 VAL A 29 -10.132 10.419 21.567 1.00 0.00 C ATOM 419 CG2 VAL A 29 -10.968 12.653 22.199 1.00 0.00 C ATOM 0 H VAL A 29 -10.006 14.094 20.020 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.303 12.416 21.687 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.825 11.901 20.155 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.124 10.018 21.776 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.653 9.819 20.793 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.529 10.388 22.475 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.935 12.194 22.407 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.357 12.637 23.102 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.117 13.685 21.880 1.00 0.00 H new ATOM 429 N GLU A 30 -6.800 12.097 19.590 1.00 0.00 N ATOM 430 CA GLU A 30 -5.877 11.433 18.691 1.00 0.00 C ATOM 431 C GLU A 30 -5.559 10.044 19.236 1.00 0.00 C ATOM 432 O GLU A 30 -4.572 9.865 19.944 1.00 0.00 O ATOM 433 CB GLU A 30 -4.610 12.279 18.498 1.00 0.00 C ATOM 434 CG GLU A 30 -4.920 13.670 17.928 1.00 0.00 C ATOM 435 CD GLU A 30 -5.741 13.590 16.646 1.00 0.00 C ATOM 436 OE1 GLU A 30 -5.186 13.092 15.642 1.00 0.00 O ATOM 437 OE2 GLU A 30 -6.918 14.009 16.692 1.00 0.00 O ATOM 0 H GLU A 30 -6.371 12.839 20.143 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.335 11.319 17.708 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.098 12.386 19.454 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.926 11.758 17.828 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.463 14.254 18.671 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.987 14.197 17.729 1.00 0.00 H new ATOM 444 N GLU A 31 -6.396 9.062 18.883 1.00 0.00 N ATOM 445 CA GLU A 31 -6.155 7.650 19.161 1.00 0.00 C ATOM 446 C GLU A 31 -4.712 7.276 18.801 1.00 0.00 C ATOM 447 O GLU A 31 -4.050 6.547 19.538 1.00 0.00 O ATOM 448 CB GLU A 31 -7.179 6.773 18.425 1.00 0.00 C ATOM 449 CG GLU A 31 -8.624 7.156 18.790 1.00 0.00 C ATOM 450 CD GLU A 31 -9.610 6.030 18.482 1.00 0.00 C ATOM 451 OE1 GLU A 31 -9.521 4.996 19.180 1.00 0.00 O ATOM 452 OE2 GLU A 31 -10.439 6.218 17.564 1.00 0.00 O ATOM 0 H GLU A 31 -7.272 9.233 18.389 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.284 7.470 20.228 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.037 6.873 17.349 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.006 5.726 18.673 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.677 7.404 19.850 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.912 8.051 18.239 1.00 0.00 H new ATOM 459 N GLU A 32 -4.218 7.797 17.672 1.00 0.00 N ATOM 460 CA GLU A 32 -2.805 7.715 17.341 1.00 0.00 C ATOM 461 C GLU A 32 -2.074 8.685 18.278 1.00 0.00 C ATOM 462 O GLU A 32 -1.860 9.849 17.942 1.00 0.00 O ATOM 463 CB GLU A 32 -2.533 7.942 15.838 1.00 0.00 C ATOM 464 CG GLU A 32 -3.039 9.239 15.177 1.00 0.00 C ATOM 465 CD GLU A 32 -4.551 9.280 15.015 1.00 0.00 C ATOM 466 OE1 GLU A 32 -5.036 8.772 13.982 1.00 0.00 O ATOM 467 OE2 GLU A 32 -5.197 9.785 15.960 1.00 0.00 O ATOM 0 H GLU A 32 -4.784 8.280 16.975 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.420 6.708 17.503 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.454 7.895 15.687 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.968 7.104 15.294 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.721 10.092 15.776 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.572 9.346 14.198 1.00 0.00 H new ATOM 474 N ASP A 33 -1.734 8.215 19.481 1.00 0.00 N ATOM 475 CA ASP A 33 -1.115 8.999 20.546 1.00 0.00 C ATOM 476 C ASP A 33 0.320 9.407 20.174 1.00 0.00 C ATOM 477 O ASP A 33 1.300 8.872 20.682 1.00 0.00 O ATOM 478 CB ASP A 33 -1.223 8.247 21.882 1.00 0.00 C ATOM 479 CG ASP A 33 -0.454 6.926 21.920 1.00 0.00 C ATOM 480 OD1 ASP A 33 -0.693 6.096 21.015 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.337 6.756 22.873 1.00 0.00 O ATOM 0 H ASP A 33 -1.889 7.243 19.747 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.656 9.937 20.672 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.855 8.892 22.680 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.274 8.049 22.091 1.00 0.00 H new ATOM 486 N ASP A 34 0.400 10.373 19.258 1.00 0.00 N ATOM 487 CA ASP A 34 1.578 10.857 18.537 1.00 0.00 C ATOM 488 C ASP A 34 1.149 11.922 17.516 1.00 0.00 C ATOM 489 O ASP A 34 1.924 12.810 17.169 1.00 0.00 O ATOM 490 CB ASP A 34 2.275 9.700 17.802 1.00 0.00 C ATOM 491 CG ASP A 34 3.457 10.185 16.964 1.00 0.00 C ATOM 492 OD1 ASP A 34 4.414 10.709 17.574 1.00 0.00 O ATOM 493 OD2 ASP A 34 3.387 10.019 15.726 1.00 0.00 O ATOM 0 H ASP A 34 -0.436 10.884 18.976 1.00 0.00 H new ATOM 0 HA ASP A 34 2.275 11.288 19.255 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.623 8.966 18.529 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.556 9.195 17.157 1.00 0.00 H new ATOM 498 N GLU A 35 -0.091 11.812 17.028 1.00 0.00 N ATOM 499 CA GLU A 35 -0.664 12.549 15.921 1.00 0.00 C ATOM 500 C GLU A 35 -0.112 11.949 14.628 1.00 0.00 C ATOM 501 O GLU A 35 0.092 10.737 14.564 1.00 0.00 O ATOM 502 CB GLU A 35 -0.527 14.075 16.072 1.00 0.00 C ATOM 503 CG GLU A 35 -1.646 14.809 15.302 1.00 0.00 C ATOM 504 CD GLU A 35 -1.120 15.903 14.380 1.00 0.00 C ATOM 505 OE1 GLU A 35 -0.233 15.563 13.564 1.00 0.00 O ATOM 506 OE2 GLU A 35 -1.630 17.038 14.485 1.00 0.00 O ATOM 0 H GLU A 35 -0.760 11.156 17.432 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.748 12.434 15.900 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.569 14.345 17.127 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.446 14.395 15.700 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.208 14.085 14.713 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.342 15.248 16.016 1.00 0.00 H new ATOM 513 N GLU A 36 0.086 12.762 13.587 1.00 0.00 N ATOM 514 CA GLU A 36 0.397 12.276 12.250 1.00 0.00 C ATOM 515 C GLU A 36 1.567 13.050 11.629 1.00 0.00 C ATOM 516 O GLU A 36 1.448 13.542 10.507 1.00 0.00 O ATOM 517 CB GLU A 36 -0.893 12.349 11.419 1.00 0.00 C ATOM 518 CG GLU A 36 -1.979 11.523 12.130 1.00 0.00 C ATOM 519 CD GLU A 36 -3.338 11.535 11.467 1.00 0.00 C ATOM 520 OE1 GLU A 36 -3.487 12.163 10.398 1.00 0.00 O ATOM 521 OE2 GLU A 36 -4.233 10.925 12.085 1.00 0.00 O ATOM 0 H GLU A 36 0.034 13.779 13.653 1.00 0.00 H new ATOM 0 HA GLU A 36 0.737 11.241 12.282 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.215 13.385 11.310 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.719 11.962 10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.638 10.490 12.203 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.087 11.895 13.149 1.00 0.00 H new ATOM 528 N PRO A 37 2.718 13.127 12.324 1.00 0.00 N ATOM 529 CA PRO A 37 3.906 13.834 11.860 1.00 0.00 C ATOM 530 C PRO A 37 4.684 13.064 10.783 1.00 0.00 C ATOM 531 O PRO A 37 5.706 13.564 10.319 1.00 0.00 O ATOM 532 CB PRO A 37 4.770 13.997 13.115 1.00 0.00 C ATOM 533 CG PRO A 37 4.459 12.713 13.881 1.00 0.00 C ATOM 534 CD PRO A 37 2.961 12.568 13.647 1.00 0.00 C ATOM 0 HA PRO A 37 3.631 14.779 11.392 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.829 14.082 12.873 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.501 14.887 13.684 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.018 11.861 13.495 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.701 12.800 14.940 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.656 11.523 13.693 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.391 13.100 14.409 1.00 0.00 H new ATOM 542 N ASN A 38 4.251 11.851 10.412 1.00 0.00 N ATOM 543 CA ASN A 38 4.881 11.008 9.397 1.00 0.00 C ATOM 544 C ASN A 38 6.230 10.465 9.872 1.00 0.00 C ATOM 545 O ASN A 38 6.345 9.278 10.166 1.00 0.00 O ATOM 546 CB ASN A 38 4.985 11.744 8.049 1.00 0.00 C ATOM 547 CG ASN A 38 5.496 10.863 6.911 1.00 0.00 C ATOM 548 OD1 ASN A 38 5.862 9.709 7.106 1.00 0.00 O ATOM 549 ND2 ASN A 38 5.496 11.403 5.699 1.00 0.00 N ATOM 0 H ASN A 38 3.425 11.419 10.826 1.00 0.00 H new ATOM 0 HA ASN A 38 4.239 10.142 9.237 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.004 12.136 7.782 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.650 12.600 8.162 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.806 10.855 4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.185 12.366 5.570 1.00 0.00 H new ATOM 556 N VAL A 39 7.240 11.332 9.969 1.00 0.00 N ATOM 557 CA VAL A 39 8.633 10.966 10.195 1.00 0.00 C ATOM 558 C VAL A 39 8.826 9.964 11.349 1.00 0.00 C ATOM 559 O VAL A 39 9.293 8.858 11.087 1.00 0.00 O ATOM 560 CB VAL A 39 9.516 12.227 10.271 1.00 0.00 C ATOM 561 CG1 VAL A 39 10.973 11.879 10.606 1.00 0.00 C ATOM 562 CG2 VAL A 39 9.490 12.978 8.931 1.00 0.00 C ATOM 0 H VAL A 39 7.103 12.340 9.889 1.00 0.00 H new ATOM 0 HA VAL A 39 8.979 10.402 9.329 1.00 0.00 H new ATOM 0 HB VAL A 39 9.110 12.854 11.065 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.564 12.793 10.651 1.00 0.00 H new ATOM 0 HG12 VAL A 39 11.014 11.373 11.571 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.377 11.223 9.835 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.118 13.866 9.000 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.867 12.327 8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.467 13.274 8.700 1.00 0.00 H new ATOM 572 N PRO A 40 8.498 10.288 12.613 1.00 0.00 N ATOM 573 CA PRO A 40 8.657 9.343 13.712 1.00 0.00 C ATOM 574 C PRO A 40 7.588 8.244 13.674 1.00 0.00 C ATOM 575 O PRO A 40 7.845 7.127 14.112 1.00 0.00 O ATOM 576 CB PRO A 40 8.558 10.184 14.987 1.00 0.00 C ATOM 577 CG PRO A 40 7.629 11.322 14.572 1.00 0.00 C ATOM 578 CD PRO A 40 8.034 11.572 13.116 1.00 0.00 C ATOM 0 HA PRO A 40 9.610 8.817 13.652 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.148 9.611 15.819 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.533 10.553 15.304 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.580 11.040 14.658 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.773 12.208 15.190 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.190 11.940 12.532 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.819 12.325 13.051 1.00 0.00 H new ATOM 586 N CYS A 41 6.386 8.560 13.176 1.00 0.00 N ATOM 587 CA CYS A 41 5.270 7.620 13.104 1.00 0.00 C ATOM 588 C CYS A 41 5.662 6.392 12.266 1.00 0.00 C ATOM 589 O CYS A 41 5.379 5.257 12.638 1.00 0.00 O ATOM 590 CB CYS A 41 4.044 8.334 12.532 1.00 0.00 C ATOM 591 SG CYS A 41 2.514 7.392 12.671 1.00 0.00 S ATOM 0 H CYS A 41 6.163 9.485 12.809 1.00 0.00 H new ATOM 0 HA CYS A 41 5.020 7.262 14.103 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.919 9.287 13.046 1.00 0.00 H new ATOM 0 HB3 CYS A 41 4.225 8.559 11.481 1.00 0.00 H new ATOM 596 N LEU A 42 6.336 6.650 11.141 1.00 0.00 N ATOM 597 CA LEU A 42 7.024 5.703 10.273 1.00 0.00 C ATOM 598 C LEU A 42 6.278 4.400 9.968 1.00 0.00 C ATOM 599 O LEU A 42 6.548 3.356 10.557 1.00 0.00 O ATOM 600 CB LEU A 42 8.421 5.433 10.855 1.00 0.00 C ATOM 601 CG LEU A 42 9.368 4.618 9.953 1.00 0.00 C ATOM 602 CD1 LEU A 42 9.585 5.275 8.583 1.00 0.00 C ATOM 603 CD2 LEU A 42 10.720 4.474 10.660 1.00 0.00 C ATOM 0 H LEU A 42 6.418 7.604 10.790 1.00 0.00 H new ATOM 0 HA LEU A 42 7.088 6.178 9.294 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.894 6.389 11.078 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.306 4.906 11.802 1.00 0.00 H new ATOM 0 HG LEU A 42 8.907 3.646 9.779 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.260 4.660 7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.629 5.367 8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.021 6.265 8.719 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.400 3.899 10.032 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.143 5.462 10.842 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.581 3.959 11.610 1.00 0.00 H new ATOM 615 N VAL A 43 5.444 4.408 8.929 1.00 0.00 N ATOM 616 CA VAL A 43 4.825 3.212 8.348 1.00 0.00 C ATOM 617 C VAL A 43 5.841 2.526 7.414 1.00 0.00 C ATOM 618 O VAL A 43 5.473 2.019 6.360 1.00 0.00 O ATOM 619 CB VAL A 43 3.513 3.608 7.626 1.00 0.00 C ATOM 620 CG1 VAL A 43 2.706 2.428 7.055 1.00 0.00 C ATOM 621 CG2 VAL A 43 2.592 4.313 8.627 1.00 0.00 C ATOM 0 H VAL A 43 5.171 5.268 8.454 1.00 0.00 H new ATOM 0 HA VAL A 43 4.556 2.494 9.123 1.00 0.00 H new ATOM 0 HB VAL A 43 3.824 4.235 6.791 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.806 2.804 6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.314 1.890 6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.426 1.753 7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.664 4.597 8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.369 3.639 9.454 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.086 5.206 9.010 1.00 0.00 H new ATOM 631 N ARG A 44 7.126 2.506 7.786 1.00 0.00 N ATOM 632 CA ARG A 44 8.252 1.978 7.020 1.00 0.00 C ATOM 633 C ARG A 44 8.465 2.696 5.676 1.00 0.00 C ATOM 634 O ARG A 44 9.497 3.333 5.470 1.00 0.00 O ATOM 635 CB ARG A 44 8.155 0.453 6.828 1.00 0.00 C ATOM 636 CG ARG A 44 8.455 -0.388 8.080 1.00 0.00 C ATOM 637 CD ARG A 44 7.355 -0.376 9.153 1.00 0.00 C ATOM 638 NE ARG A 44 7.502 0.729 10.110 1.00 0.00 N ATOM 639 CZ ARG A 44 8.386 0.791 11.115 1.00 0.00 C ATOM 640 NH1 ARG A 44 9.287 -0.179 11.300 1.00 0.00 N ATOM 641 NH2 ARG A 44 8.345 1.848 11.929 1.00 0.00 N ATOM 0 H ARG A 44 7.422 2.882 8.687 1.00 0.00 H new ATOM 0 HA ARG A 44 9.137 2.184 7.623 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.151 0.210 6.480 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.846 0.158 6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.630 -1.419 7.773 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.381 -0.027 8.527 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.382 -0.303 8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.371 -1.323 9.693 1.00 0.00 H new ATOM 0 HE ARG A 44 6.872 1.523 9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.309 -0.982 10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.953 -0.116 12.070 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.653 2.582 11.778 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.006 1.922 12.703 1.00 0.00 H new ATOM 655 N VAL A 45 7.524 2.557 4.739 1.00 0.00 N ATOM 656 CA VAL A 45 7.650 2.979 3.350 1.00 0.00 C ATOM 657 C VAL A 45 7.573 4.500 3.155 1.00 0.00 C ATOM 658 O VAL A 45 6.656 5.027 2.516 1.00 0.00 O ATOM 659 CB VAL A 45 6.690 2.182 2.442 1.00 0.00 C ATOM 660 CG1 VAL A 45 7.130 0.713 2.370 1.00 0.00 C ATOM 661 CG2 VAL A 45 5.228 2.222 2.917 1.00 0.00 C ATOM 0 H VAL A 45 6.620 2.130 4.939 1.00 0.00 H new ATOM 0 HA VAL A 45 8.663 2.733 3.032 1.00 0.00 H new ATOM 0 HB VAL A 45 6.738 2.659 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.446 0.159 1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.139 0.655 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.118 0.280 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.607 1.642 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.159 1.798 3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.880 3.255 2.936 1.00 0.00 H new ATOM 671 N CYS A 46 8.602 5.196 3.646 1.00 0.00 N ATOM 672 CA CYS A 46 8.891 6.608 3.393 1.00 0.00 C ATOM 673 C CYS A 46 9.435 6.669 1.964 1.00 0.00 C ATOM 674 O CYS A 46 10.592 7.008 1.724 1.00 0.00 O ATOM 675 CB CYS A 46 9.970 7.051 4.380 1.00 0.00 C ATOM 676 SG CYS A 46 10.561 8.761 4.308 1.00 0.00 S ATOM 0 H CYS A 46 9.291 4.766 4.263 1.00 0.00 H new ATOM 0 HA CYS A 46 8.018 7.250 3.509 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.591 6.874 5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.831 6.397 4.244 1.00 0.00 H new ATOM 681 N HIS A 47 8.599 6.261 1.016 1.00 0.00 N ATOM 682 CA HIS A 47 8.978 6.008 -0.355 1.00 0.00 C ATOM 683 C HIS A 47 8.004 6.708 -1.293 1.00 0.00 C ATOM 684 O HIS A 47 6.790 6.577 -1.132 1.00 0.00 O ATOM 685 CB HIS A 47 8.977 4.486 -0.540 1.00 0.00 C ATOM 686 CG HIS A 47 8.912 4.035 -1.971 1.00 0.00 C ATOM 687 ND1 HIS A 47 7.764 3.672 -2.625 1.00 0.00 N ATOM 688 CD2 HIS A 47 9.954 3.901 -2.846 1.00 0.00 C ATOM 689 CE1 HIS A 47 8.104 3.323 -3.871 1.00 0.00 C ATOM 690 NE2 HIS A 47 9.429 3.449 -4.062 1.00 0.00 N ATOM 0 H HIS A 47 7.609 6.094 1.194 1.00 0.00 H new ATOM 0 HA HIS A 47 9.968 6.400 -0.588 1.00 0.00 H new ATOM 0 HB2 HIS A 47 9.878 4.076 -0.083 1.00 0.00 H new ATOM 0 HB3 HIS A 47 8.127 4.067 -0.001 1.00 0.00 H new ATOM 0 HD1 HIS A 47 6.822 3.668 -2.233 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.993 4.107 -2.637 1.00 0.00 H new ATOM 0 HE1 HIS A 47 7.407 2.985 -4.623 1.00 0.00 H new ATOM 698 N GLN A 48 8.582 7.439 -2.249 1.00 0.00 N ATOM 699 CA GLN A 48 7.895 8.199 -3.291 1.00 0.00 C ATOM 700 C GLN A 48 6.659 7.475 -3.823 1.00 0.00 C ATOM 701 O GLN A 48 6.753 6.302 -4.194 1.00 0.00 O ATOM 702 CB GLN A 48 8.874 8.603 -4.408 1.00 0.00 C ATOM 703 CG GLN A 48 9.271 7.490 -5.396 1.00 0.00 C ATOM 704 CD GLN A 48 8.475 7.556 -6.704 1.00 0.00 C ATOM 705 OE1 GLN A 48 8.880 8.231 -7.645 1.00 0.00 O ATOM 706 NE2 GLN A 48 7.331 6.887 -6.790 1.00 0.00 N ATOM 0 H GLN A 48 9.596 7.520 -2.319 1.00 0.00 H new ATOM 0 HA GLN A 48 7.522 9.117 -2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.430 9.422 -4.974 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.782 8.991 -3.945 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.335 7.568 -5.618 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.113 6.519 -4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.006 6.329 -6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.778 6.931 -7.646 1.00 0.00 H new ATOM 715 N ASP A 49 5.517 8.163 -3.893 1.00 0.00 N ATOM 716 CA ASP A 49 4.285 7.586 -4.411 1.00 0.00 C ATOM 717 C ASP A 49 3.209 8.664 -4.495 1.00 0.00 C ATOM 718 O ASP A 49 3.277 9.659 -3.773 1.00 0.00 O ATOM 719 CB ASP A 49 3.794 6.483 -3.459 1.00 0.00 C ATOM 720 CG ASP A 49 2.730 5.574 -4.066 1.00 0.00 C ATOM 721 OD1 ASP A 49 2.865 5.239 -5.264 1.00 0.00 O ATOM 722 OD2 ASP A 49 1.827 5.178 -3.299 1.00 0.00 O ATOM 0 H ASP A 49 5.425 9.133 -3.592 1.00 0.00 H new ATOM 0 HA ASP A 49 4.477 7.171 -5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.645 5.875 -3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.392 6.946 -2.558 1.00 0.00 H new ATOM 727 N CYS A 50 2.208 8.478 -5.356 1.00 0.00 N ATOM 728 CA CYS A 50 1.025 9.328 -5.339 1.00 0.00 C ATOM 729 C CYS A 50 0.178 8.954 -4.124 1.00 0.00 C ATOM 730 O CYS A 50 0.052 7.776 -3.793 1.00 0.00 O ATOM 731 CB CYS A 50 0.229 9.251 -6.645 1.00 0.00 C ATOM 732 SG CYS A 50 -1.140 8.071 -6.687 1.00 0.00 S ATOM 0 H CYS A 50 2.196 7.749 -6.069 1.00 0.00 H new ATOM 0 HA CYS A 50 1.336 10.370 -5.257 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.169 10.243 -6.861 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.919 9.002 -7.451 1.00 0.00 H new ATOM 737 N VAL A 51 -0.361 9.957 -3.432 1.00 0.00 N ATOM 738 CA VAL A 51 -1.170 9.782 -2.238 1.00 0.00 C ATOM 739 C VAL A 51 -2.281 10.824 -2.257 1.00 0.00 C ATOM 740 O VAL A 51 -2.197 11.792 -3.007 1.00 0.00 O ATOM 741 CB VAL A 51 -0.315 9.953 -0.969 1.00 0.00 C ATOM 742 CG1 VAL A 51 0.757 8.870 -0.845 1.00 0.00 C ATOM 743 CG2 VAL A 51 0.362 11.327 -0.916 1.00 0.00 C ATOM 0 H VAL A 51 -0.241 10.935 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.590 8.776 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.008 9.862 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.335 9.032 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.281 7.890 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.421 8.914 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.955 11.405 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.012 11.446 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.399 12.108 -0.922 1.00 0.00 H new ATOM 753 N CYS A 52 -3.293 10.629 -1.414 1.00 0.00 N ATOM 754 CA CYS A 52 -4.347 11.592 -1.114 1.00 0.00 C ATOM 755 C CYS A 52 -3.827 13.032 -1.065 1.00 0.00 C ATOM 756 O CYS A 52 -2.782 13.303 -0.473 1.00 0.00 O ATOM 757 CB CYS A 52 -4.970 11.173 0.209 1.00 0.00 C ATOM 758 SG CYS A 52 -6.066 12.378 0.958 1.00 0.00 S ATOM 0 H CYS A 52 -3.404 9.756 -0.899 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.092 11.587 -1.909 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.526 10.249 0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.169 10.948 0.913 1.00 0.00 H new ATOM 763 N GLU A 53 -4.538 13.945 -1.736 1.00 0.00 N ATOM 764 CA GLU A 53 -4.144 15.338 -1.866 1.00 0.00 C ATOM 765 C GLU A 53 -3.713 15.906 -0.511 1.00 0.00 C ATOM 766 O GLU A 53 -4.476 15.854 0.454 1.00 0.00 O ATOM 767 CB GLU A 53 -5.310 16.137 -2.459 1.00 0.00 C ATOM 768 CG GLU A 53 -4.939 17.594 -2.756 1.00 0.00 C ATOM 769 CD GLU A 53 -6.146 18.361 -3.284 1.00 0.00 C ATOM 770 OE1 GLU A 53 -6.880 18.912 -2.435 1.00 0.00 O ATOM 771 OE2 GLU A 53 -6.309 18.384 -4.523 1.00 0.00 O ATOM 0 H GLU A 53 -5.415 13.726 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.288 15.414 -2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.643 15.657 -3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.150 16.115 -1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.567 18.072 -1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.132 17.627 -3.488 1.00 0.00 H new ATOM 778 N GLU A 54 -2.487 16.438 -0.450 1.00 0.00 N ATOM 779 CA GLU A 54 -1.877 17.005 0.745 1.00 0.00 C ATOM 780 C GLU A 54 -2.699 18.190 1.257 1.00 0.00 C ATOM 781 O GLU A 54 -2.417 19.345 0.948 1.00 0.00 O ATOM 782 CB GLU A 54 -0.427 17.411 0.443 1.00 0.00 C ATOM 783 CG GLU A 54 0.446 16.203 0.067 1.00 0.00 C ATOM 784 CD GLU A 54 0.559 15.180 1.194 1.00 0.00 C ATOM 785 OE1 GLU A 54 0.692 15.620 2.357 1.00 0.00 O ATOM 786 OE2 GLU A 54 0.496 13.975 0.872 1.00 0.00 O ATOM 0 H GLU A 54 -1.875 16.484 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.863 16.254 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.416 18.134 -0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.001 17.908 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.028 15.719 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.443 16.551 -0.203 1.00 0.00 H new ATOM 793 N GLY A 55 -3.727 17.868 2.033 1.00 0.00 N ATOM 794 CA GLY A 55 -4.745 18.784 2.510 1.00 0.00 C ATOM 795 C GLY A 55 -5.877 17.939 3.079 1.00 0.00 C ATOM 796 O GLY A 55 -6.289 18.129 4.222 1.00 0.00 O ATOM 0 H GLY A 55 -3.877 16.914 2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.339 19.448 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.106 19.415 1.698 1.00 0.00 H new ATOM 800 N PHE A 56 -6.321 16.946 2.303 1.00 0.00 N ATOM 801 CA PHE A 56 -7.232 15.930 2.782 1.00 0.00 C ATOM 802 C PHE A 56 -6.417 14.921 3.591 1.00 0.00 C ATOM 803 O PHE A 56 -5.222 14.735 3.351 1.00 0.00 O ATOM 804 CB PHE A 56 -7.863 15.228 1.582 1.00 0.00 C ATOM 805 CG PHE A 56 -8.953 15.970 0.837 1.00 0.00 C ATOM 806 CD1 PHE A 56 -8.622 16.987 -0.078 1.00 0.00 C ATOM 807 CD2 PHE A 56 -10.269 15.474 0.872 1.00 0.00 C ATOM 808 CE1 PHE A 56 -9.606 17.515 -0.932 1.00 0.00 C ATOM 809 CE2 PHE A 56 -11.250 15.994 0.014 1.00 0.00 C ATOM 810 CZ PHE A 56 -10.923 17.027 -0.881 1.00 0.00 C ATOM 0 H PHE A 56 -6.052 16.833 1.326 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.018 16.367 3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.069 14.994 0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.275 14.279 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.610 17.362 -0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -10.526 14.687 1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.349 18.298 -1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -12.255 15.601 0.041 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.681 17.444 -1.527 1.00 0.00 H new ATOM 820 N TYR A 57 -7.072 14.259 4.539 1.00 0.00 N ATOM 821 CA TYR A 57 -6.517 13.171 5.318 1.00 0.00 C ATOM 822 C TYR A 57 -6.900 11.860 4.647 1.00 0.00 C ATOM 823 O TYR A 57 -8.025 11.715 4.168 1.00 0.00 O ATOM 824 CB TYR A 57 -7.046 13.245 6.753 1.00 0.00 C ATOM 825 CG TYR A 57 -6.529 14.456 7.500 1.00 0.00 C ATOM 826 CD1 TYR A 57 -7.092 15.722 7.252 1.00 0.00 C ATOM 827 CD2 TYR A 57 -5.371 14.349 8.290 1.00 0.00 C ATOM 828 CE1 TYR A 57 -6.484 16.879 7.764 1.00 0.00 C ATOM 829 CE2 TYR A 57 -4.726 15.511 8.748 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.296 16.772 8.508 1.00 0.00 C ATOM 831 OH TYR A 57 -4.681 17.891 8.983 1.00 0.00 O ATOM 0 H TYR A 57 -8.036 14.477 4.790 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.430 13.240 5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.136 13.272 6.734 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.758 12.341 7.290 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.995 15.804 6.666 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.978 13.376 8.545 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.927 17.848 7.587 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.792 15.434 9.285 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.873 17.636 9.476 1.00 0.00 H new ATOM 841 N ARG A 58 -5.959 10.916 4.605 1.00 0.00 N ATOM 842 CA ARG A 58 -6.174 9.592 4.045 1.00 0.00 C ATOM 843 C ARG A 58 -6.687 8.675 5.148 1.00 0.00 C ATOM 844 O ARG A 58 -5.937 7.875 5.697 1.00 0.00 O ATOM 845 CB ARG A 58 -4.913 9.067 3.340 1.00 0.00 C ATOM 846 CG ARG A 58 -3.589 9.187 4.107 1.00 0.00 C ATOM 847 CD ARG A 58 -2.570 10.027 3.339 1.00 0.00 C ATOM 848 NE ARG A 58 -3.003 11.430 3.254 1.00 0.00 N ATOM 849 CZ ARG A 58 -2.404 12.347 2.487 1.00 0.00 C ATOM 850 NH1 ARG A 58 -1.234 12.063 1.908 1.00 0.00 N ATOM 851 NH2 ARG A 58 -2.989 13.528 2.262 1.00 0.00 N ATOM 0 H ARG A 58 -5.015 11.057 4.965 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.933 9.631 3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.072 8.016 3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.807 9.598 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.772 9.638 5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.180 8.193 4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.600 9.971 3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.440 9.621 2.336 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.806 11.720 3.812 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.802 11.150 2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.773 12.759 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.898 13.734 2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.526 14.223 1.676 1.00 0.00 H new ATOM 865 N ASN A 59 -7.971 8.817 5.483 1.00 0.00 N ATOM 866 CA ASN A 59 -8.577 8.077 6.580 1.00 0.00 C ATOM 867 C ASN A 59 -8.599 6.584 6.249 1.00 0.00 C ATOM 868 O ASN A 59 -8.929 6.206 5.124 1.00 0.00 O ATOM 869 CB ASN A 59 -9.988 8.611 6.857 1.00 0.00 C ATOM 870 CG ASN A 59 -10.622 8.033 8.120 1.00 0.00 C ATOM 871 OD1 ASN A 59 -9.988 7.305 8.878 1.00 0.00 O ATOM 872 ND2 ASN A 59 -11.896 8.335 8.361 1.00 0.00 N ATOM 0 H ASN A 59 -8.613 9.446 5.001 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.984 8.214 7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.946 9.697 6.946 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.627 8.385 6.003 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.362 7.960 9.187 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.406 8.942 7.719 1.00 0.00 H new ATOM 879 N LYS A 60 -8.277 5.745 7.235 1.00 0.00 N ATOM 880 CA LYS A 60 -8.288 4.291 7.153 1.00 0.00 C ATOM 881 C LYS A 60 -7.803 3.755 5.796 1.00 0.00 C ATOM 882 O LYS A 60 -6.613 3.823 5.493 1.00 0.00 O ATOM 883 CB LYS A 60 -9.640 3.731 7.645 1.00 0.00 C ATOM 884 CG LYS A 60 -10.912 4.409 7.091 1.00 0.00 C ATOM 885 CD LYS A 60 -12.174 3.838 7.753 1.00 0.00 C ATOM 886 CE LYS A 60 -12.713 4.741 8.871 1.00 0.00 C ATOM 887 NZ LYS A 60 -11.699 5.054 9.894 1.00 0.00 N ATOM 0 H LYS A 60 -7.988 6.081 8.154 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.538 3.902 7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.682 2.671 7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.662 3.801 8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.860 5.484 7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.965 4.263 6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.947 3.702 6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.951 2.853 8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.081 5.670 8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.564 4.253 9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.166 5.442 10.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.185 4.187 10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.029 5.754 9.516 1.00 0.00 H new ATOM 901 N ASP A 61 -8.707 3.212 4.977 1.00 0.00 N ATOM 902 CA ASP A 61 -8.383 2.591 3.700 1.00 0.00 C ATOM 903 C ASP A 61 -8.163 3.668 2.635 1.00 0.00 C ATOM 904 O ASP A 61 -8.929 3.770 1.682 1.00 0.00 O ATOM 905 CB ASP A 61 -9.503 1.610 3.321 1.00 0.00 C ATOM 906 CG ASP A 61 -9.225 0.882 2.007 1.00 0.00 C ATOM 907 OD1 ASP A 61 -8.062 0.464 1.821 1.00 0.00 O ATOM 908 OD2 ASP A 61 -10.190 0.736 1.226 1.00 0.00 O ATOM 0 H ASP A 61 -9.704 3.194 5.192 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.454 2.026 3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.625 0.878 4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.445 2.153 3.239 1.00 0.00 H new ATOM 913 N ASP A 62 -7.120 4.482 2.823 1.00 0.00 N ATOM 914 CA ASP A 62 -6.739 5.613 1.979 1.00 0.00 C ATOM 915 C ASP A 62 -7.921 6.460 1.492 1.00 0.00 C ATOM 916 O ASP A 62 -7.909 6.989 0.383 1.00 0.00 O ATOM 917 CB ASP A 62 -5.798 5.165 0.847 1.00 0.00 C ATOM 918 CG ASP A 62 -6.446 4.204 -0.150 1.00 0.00 C ATOM 919 OD1 ASP A 62 -6.379 2.986 0.120 1.00 0.00 O ATOM 920 OD2 ASP A 62 -6.961 4.695 -1.178 1.00 0.00 O ATOM 0 H ASP A 62 -6.485 4.361 3.612 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.178 6.298 2.615 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.444 6.046 0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.922 4.685 1.284 1.00 0.00 H new ATOM 925 N LYS A 63 -8.917 6.661 2.356 1.00 0.00 N ATOM 926 CA LYS A 63 -10.073 7.474 2.033 1.00 0.00 C ATOM 927 C LYS A 63 -9.675 8.942 2.165 1.00 0.00 C ATOM 928 O LYS A 63 -9.602 9.458 3.277 1.00 0.00 O ATOM 929 CB LYS A 63 -11.250 7.114 2.957 1.00 0.00 C ATOM 930 CG LYS A 63 -11.688 5.647 2.834 1.00 0.00 C ATOM 931 CD LYS A 63 -12.527 5.413 1.570 1.00 0.00 C ATOM 932 CE LYS A 63 -12.732 3.917 1.306 1.00 0.00 C ATOM 933 NZ LYS A 63 -11.531 3.308 0.707 1.00 0.00 N ATOM 0 H LYS A 63 -8.938 6.263 3.295 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.403 7.287 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.968 7.317 3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.097 7.760 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.808 5.004 2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.267 5.364 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.495 5.901 1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.033 5.871 0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.971 3.410 2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.584 3.777 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.523 2.287 0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.541 3.459 -0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.680 3.747 1.113 1.00 0.00 H new ATOM 947 N CYS A 64 -9.405 9.602 1.036 1.00 0.00 N ATOM 948 CA CYS A 64 -9.224 11.050 0.970 1.00 0.00 C ATOM 949 C CYS A 64 -10.454 11.817 1.457 1.00 0.00 C ATOM 950 O CYS A 64 -11.378 12.069 0.685 1.00 0.00 O ATOM 951 CB CYS A 64 -8.769 11.494 -0.432 1.00 0.00 C ATOM 952 SG CYS A 64 -7.494 12.772 -0.504 1.00 0.00 S ATOM 0 H CYS A 64 -9.305 9.138 0.133 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.422 11.305 1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.402 10.617 -0.964 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.643 11.854 -0.975 1.00 0.00 H new ATOM 957 N VAL A 65 -10.465 12.187 2.739 1.00 0.00 N ATOM 958 CA VAL A 65 -11.555 12.899 3.398 1.00 0.00 C ATOM 959 C VAL A 65 -10.986 14.094 4.167 1.00 0.00 C ATOM 960 O VAL A 65 -9.781 14.324 4.155 1.00 0.00 O ATOM 961 CB VAL A 65 -12.322 11.943 4.327 1.00 0.00 C ATOM 962 CG1 VAL A 65 -12.954 10.787 3.542 1.00 0.00 C ATOM 963 CG2 VAL A 65 -11.420 11.393 5.441 1.00 0.00 C ATOM 0 H VAL A 65 -9.686 11.991 3.367 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.259 13.272 2.654 1.00 0.00 H new ATOM 0 HB VAL A 65 -13.120 12.524 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.488 10.130 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -13.651 11.186 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.172 10.222 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.996 10.721 6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.587 10.847 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.036 12.219 6.039 1.00 0.00 H new ATOM 973 N SER A 66 -11.839 14.861 4.846 1.00 0.00 N ATOM 974 CA SER A 66 -11.389 15.889 5.774 1.00 0.00 C ATOM 975 C SER A 66 -11.160 15.254 7.146 1.00 0.00 C ATOM 976 O SER A 66 -11.800 14.256 7.476 1.00 0.00 O ATOM 977 CB SER A 66 -12.476 16.962 5.900 1.00 0.00 C ATOM 978 OG SER A 66 -12.098 17.953 6.835 1.00 0.00 O ATOM 0 H SER A 66 -12.853 14.786 4.767 1.00 0.00 H new ATOM 0 HA SER A 66 -10.465 16.337 5.410 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.654 17.422 4.928 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.414 16.501 6.211 1.00 0.00 H new ATOM 0 HG SER A 66 -12.875 18.508 7.055 1.00 0.00 H new ATOM 984 N ALA A 67 -10.328 15.895 7.973 1.00 0.00 N ATOM 985 CA ALA A 67 -10.157 15.562 9.384 1.00 0.00 C ATOM 986 C ALA A 67 -11.520 15.345 10.042 1.00 0.00 C ATOM 987 O ALA A 67 -11.736 14.387 10.775 1.00 0.00 O ATOM 988 CB ALA A 67 -9.417 16.708 10.083 1.00 0.00 C ATOM 0 H ALA A 67 -9.744 16.675 7.671 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.578 14.643 9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.286 16.466 11.138 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.441 16.848 9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.998 17.626 9.991 1.00 0.00 H new ATOM 994 N GLU A 68 -12.466 16.226 9.708 1.00 0.00 N ATOM 995 CA GLU A 68 -13.841 16.207 10.181 1.00 0.00 C ATOM 996 C GLU A 68 -14.468 14.810 10.057 1.00 0.00 C ATOM 997 O GLU A 68 -15.089 14.318 10.998 1.00 0.00 O ATOM 998 CB GLU A 68 -14.641 17.240 9.377 1.00 0.00 C ATOM 999 CG GLU A 68 -14.060 18.659 9.500 1.00 0.00 C ATOM 1000 CD GLU A 68 -14.715 19.599 8.494 1.00 0.00 C ATOM 1001 OE1 GLU A 68 -14.261 19.567 7.328 1.00 0.00 O ATOM 1002 OE2 GLU A 68 -15.655 20.313 8.901 1.00 0.00 O ATOM 0 H GLU A 68 -12.281 17.003 9.073 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.859 16.461 11.241 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.656 16.947 8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.675 17.243 9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.216 19.035 10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.983 18.632 9.332 1.00 0.00 H new ATOM 1009 N ASP A 69 -14.299 14.160 8.900 1.00 0.00 N ATOM 1010 CA ASP A 69 -14.826 12.816 8.692 1.00 0.00 C ATOM 1011 C ASP A 69 -14.225 11.873 9.725 1.00 0.00 C ATOM 1012 O ASP A 69 -14.932 11.076 10.342 1.00 0.00 O ATOM 1013 CB ASP A 69 -14.493 12.316 7.282 1.00 0.00 C ATOM 1014 CG ASP A 69 -14.871 10.846 7.104 1.00 0.00 C ATOM 1015 OD1 ASP A 69 -16.039 10.604 6.734 1.00 0.00 O ATOM 1016 OD2 ASP A 69 -13.985 9.993 7.340 1.00 0.00 O ATOM 0 H ASP A 69 -13.802 14.546 8.098 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.910 12.843 8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.023 12.921 6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.427 12.444 7.092 1.00 0.00 H new ATOM 1021 N CYS A 70 -12.906 11.961 9.904 1.00 0.00 N ATOM 1022 CA CYS A 70 -12.245 11.090 10.852 1.00 0.00 C ATOM 1023 C CYS A 70 -12.671 11.410 12.282 1.00 0.00 C ATOM 1024 O CYS A 70 -12.804 10.503 13.091 1.00 0.00 O ATOM 1025 CB CYS A 70 -10.727 11.105 10.722 1.00 0.00 C ATOM 1026 SG CYS A 70 -10.134 9.579 11.488 1.00 0.00 S ATOM 0 H CYS A 70 -12.294 12.613 9.414 1.00 0.00 H new ATOM 0 HA CYS A 70 -12.566 10.077 10.609 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.427 11.156 9.675 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.303 11.978 11.218 1.00 0.00 H new ATOM 1031 N GLU A 71 -12.929 12.684 12.602 1.00 0.00 N ATOM 1032 CA GLU A 71 -13.505 13.052 13.886 1.00 0.00 C ATOM 1033 C GLU A 71 -14.793 12.263 14.100 1.00 0.00 C ATOM 1034 O GLU A 71 -14.925 11.541 15.086 1.00 0.00 O ATOM 1035 CB GLU A 71 -13.781 14.561 13.974 1.00 0.00 C ATOM 1036 CG GLU A 71 -13.998 14.962 15.442 1.00 0.00 C ATOM 1037 CD GLU A 71 -14.357 16.434 15.606 1.00 0.00 C ATOM 1038 OE1 GLU A 71 -15.043 16.966 14.704 1.00 0.00 O ATOM 1039 OE2 GLU A 71 -13.956 17.003 16.644 1.00 0.00 O ATOM 0 H GLU A 71 -12.745 13.473 11.983 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.787 12.810 14.669 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.944 15.119 13.554 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.661 14.815 13.383 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.793 14.349 15.867 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.092 14.748 16.010 1.00 0.00 H new ATOM 1046 N LEU A 72 -15.734 12.405 13.160 1.00 0.00 N ATOM 1047 CA LEU A 72 -17.013 11.709 13.205 1.00 0.00 C ATOM 1048 C LEU A 72 -16.797 10.211 13.427 1.00 0.00 C ATOM 1049 O LEU A 72 -17.355 9.666 14.378 1.00 0.00 O ATOM 1050 CB LEU A 72 -17.840 11.995 11.940 1.00 0.00 C ATOM 1051 CG LEU A 72 -18.823 13.164 12.128 1.00 0.00 C ATOM 1052 CD1 LEU A 72 -18.126 14.496 12.426 1.00 0.00 C ATOM 1053 CD2 LEU A 72 -19.677 13.317 10.864 1.00 0.00 C ATOM 0 H LEU A 72 -15.624 13.010 12.346 1.00 0.00 H new ATOM 0 HA LEU A 72 -17.588 12.086 14.051 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -17.166 12.221 11.113 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -18.395 11.099 11.663 1.00 0.00 H new ATOM 0 HG LEU A 72 -19.440 12.923 12.993 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -18.874 15.279 12.548 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -17.544 14.405 13.343 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.463 14.753 11.600 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -20.375 14.144 10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -19.030 13.518 10.010 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -20.234 12.397 10.688 1.00 0.00 H new ATOM 1065 N ASP A 73 -15.984 9.587 12.561 1.00 0.00 N ATOM 1066 CA ASP A 73 -15.646 8.166 12.487 1.00 0.00 C ATOM 1067 C ASP A 73 -16.491 7.259 13.378 1.00 0.00 C ATOM 1068 O ASP A 73 -17.404 6.601 12.885 1.00 0.00 O ATOM 1069 CB ASP A 73 -14.149 7.958 12.749 1.00 0.00 C ATOM 1070 CG ASP A 73 -13.752 6.487 12.727 1.00 0.00 C ATOM 1071 OD1 ASP A 73 -13.830 5.898 11.628 1.00 0.00 O ATOM 1072 OD2 ASP A 73 -13.368 5.982 13.803 1.00 0.00 O ATOM 0 H ASP A 73 -15.506 10.116 11.831 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.888 7.860 11.469 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.573 8.498 11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.890 8.387 13.717 1.00 0.00 H new ATOM 1077 N ASN A 74 -16.150 7.177 14.668 1.00 0.00 N ATOM 1078 CA ASN A 74 -16.789 6.240 15.574 1.00 0.00 C ATOM 1079 C ASN A 74 -18.026 6.865 16.229 1.00 0.00 C ATOM 1080 O ASN A 74 -19.102 6.276 16.170 1.00 0.00 O ATOM 1081 CB ASN A 74 -15.780 5.655 16.569 1.00 0.00 C ATOM 1082 CG ASN A 74 -15.356 6.640 17.646 1.00 0.00 C ATOM 1083 OD1 ASN A 74 -15.159 7.812 17.339 1.00 0.00 O ATOM 1084 ND2 ASN A 74 -15.249 6.185 18.896 1.00 0.00 N ATOM 0 H ASN A 74 -15.430 7.755 15.102 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.158 5.389 15.001 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.216 4.775 17.043 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.897 5.320 16.025 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.993 6.822 19.650 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.424 5.200 19.097 1.00 0.00 H new ATOM 1091 N MET A 75 -17.876 8.025 16.881 1.00 0.00 N ATOM 1092 CA MET A 75 -18.935 8.657 17.666 1.00 0.00 C ATOM 1093 C MET A 75 -18.814 10.189 17.714 1.00 0.00 C ATOM 1094 O MET A 75 -19.499 10.808 18.527 1.00 0.00 O ATOM 1095 CB MET A 75 -18.886 8.119 19.110 1.00 0.00 C ATOM 1096 CG MET A 75 -19.082 6.604 19.237 1.00 0.00 C ATOM 1097 SD MET A 75 -19.339 5.993 20.924 1.00 0.00 S ATOM 1098 CE MET A 75 -17.790 6.485 21.713 1.00 0.00 C ATOM 0 H MET A 75 -17.004 8.554 16.876 1.00 0.00 H new ATOM 0 HA MET A 75 -19.879 8.414 17.179 1.00 0.00 H new ATOM 0 HB2 MET A 75 -17.925 8.385 19.550 1.00 0.00 H new ATOM 0 HB3 MET A 75 -19.655 8.621 19.697 1.00 0.00 H new ATOM 0 HG2 MET A 75 -19.939 6.313 18.629 1.00 0.00 H new ATOM 0 HG3 MET A 75 -18.209 6.105 18.817 1.00 0.00 H new ATOM 0 HE1 MET A 75 -17.770 6.114 22.738 1.00 0.00 H new ATOM 0 HE2 MET A 75 -16.950 6.066 21.159 1.00 0.00 H new ATOM 0 HE3 MET A 75 -17.714 7.572 21.719 1.00 0.00 H new ATOM 1108 N ASP A 76 -17.959 10.812 16.889 1.00 0.00 N ATOM 1109 CA ASP A 76 -17.581 12.232 16.983 1.00 0.00 C ATOM 1110 C ASP A 76 -16.831 12.503 18.291 1.00 0.00 C ATOM 1111 O ASP A 76 -15.632 12.776 18.290 1.00 0.00 O ATOM 1112 CB ASP A 76 -18.758 13.196 16.769 1.00 0.00 C ATOM 1113 CG ASP A 76 -18.298 14.644 16.923 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -17.475 15.082 16.088 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -18.768 15.294 17.882 1.00 0.00 O ATOM 0 H ASP A 76 -17.499 10.330 16.117 1.00 0.00 H new ATOM 0 HA ASP A 76 -16.902 12.436 16.155 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -19.182 13.047 15.776 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -19.548 12.981 17.489 1.00 0.00 H new ATOM 1120 N PHE A 77 -17.531 12.388 19.418 1.00 0.00 N ATOM 1121 CA PHE A 77 -16.957 12.388 20.752 1.00 0.00 C ATOM 1122 C PHE A 77 -16.280 11.028 20.933 1.00 0.00 C ATOM 1123 O PHE A 77 -16.768 10.193 21.690 1.00 0.00 O ATOM 1124 CB PHE A 77 -18.073 12.595 21.789 1.00 0.00 C ATOM 1125 CG PHE A 77 -18.979 13.783 21.526 1.00 0.00 C ATOM 1126 CD1 PHE A 77 -20.141 13.618 20.746 1.00 0.00 C ATOM 1127 CD2 PHE A 77 -18.697 15.036 22.100 1.00 0.00 C ATOM 1128 CE1 PHE A 77 -21.001 14.705 20.519 1.00 0.00 C ATOM 1129 CE2 PHE A 77 -19.588 16.108 21.916 1.00 0.00 C ATOM 1130 CZ PHE A 77 -20.728 15.950 21.109 1.00 0.00 C ATOM 0 H PHE A 77 -18.546 12.289 19.422 1.00 0.00 H new ATOM 0 HA PHE A 77 -16.233 13.192 20.886 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -18.684 11.693 21.829 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -17.618 12.715 22.772 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -20.371 12.652 20.321 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -17.797 15.174 22.681 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -21.871 14.584 19.891 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -19.396 17.056 22.396 1.00 0.00 H new ATOM 0 HZ PHE A 77 -21.393 16.785 20.943 1.00 0.00 H new ATOM 1140 N ILE A 78 -15.190 10.796 20.191 1.00 0.00 N ATOM 1141 CA ILE A 78 -14.532 9.499 20.050 1.00 0.00 C ATOM 1142 C ILE A 78 -14.433 8.754 21.375 1.00 0.00 C ATOM 1143 O ILE A 78 -14.774 7.574 21.441 1.00 0.00 O ATOM 1144 CB ILE A 78 -13.168 9.688 19.369 1.00 0.00 C ATOM 1145 CG1 ILE A 78 -13.362 10.290 17.967 1.00 0.00 C ATOM 1146 CG2 ILE A 78 -12.342 8.398 19.268 1.00 0.00 C ATOM 1147 CD1 ILE A 78 -12.706 11.667 17.887 1.00 0.00 C ATOM 0 H ILE A 78 -14.730 11.533 19.656 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.145 8.863 19.412 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.602 10.369 20.005 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.929 9.629 17.217 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.426 10.373 17.743 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.393 8.611 18.776 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.153 8.008 20.268 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -12.893 7.658 18.688 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.851 12.082 16.889 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.159 12.329 18.625 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.639 11.574 18.090 1.00 0.00 H new ATOM 1159 N TYR A 79 -13.970 9.479 22.391 1.00 0.00 N ATOM 1160 CA TYR A 79 -13.957 9.155 23.808 1.00 0.00 C ATOM 1161 C TYR A 79 -14.227 10.511 24.485 1.00 0.00 C ATOM 1162 O TYR A 79 -14.251 11.517 23.771 1.00 0.00 O ATOM 1163 CB TYR A 79 -12.596 8.560 24.206 1.00 0.00 C ATOM 1164 CG TYR A 79 -12.181 7.316 23.441 1.00 0.00 C ATOM 1165 CD1 TYR A 79 -13.033 6.196 23.390 1.00 0.00 C ATOM 1166 CD2 TYR A 79 -10.928 7.262 22.803 1.00 0.00 C ATOM 1167 CE1 TYR A 79 -12.680 5.075 22.619 1.00 0.00 C ATOM 1168 CE2 TYR A 79 -10.569 6.135 22.047 1.00 0.00 C ATOM 1169 CZ TYR A 79 -11.466 5.062 21.915 1.00 0.00 C ATOM 1170 OH TYR A 79 -11.167 4.011 21.101 1.00 0.00 O ATOM 0 H TYR A 79 -13.556 10.395 22.222 1.00 0.00 H new ATOM 0 HA TYR A 79 -14.692 8.404 24.098 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.830 9.323 24.068 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -12.620 8.321 25.269 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -13.960 6.198 23.945 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -10.241 8.090 22.895 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -13.343 4.224 22.568 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.603 6.093 21.567 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.693 4.336 20.307 1.00 0.00 H new ATOM 1180 N PRO A 80 -14.437 10.589 25.811 1.00 0.00 N ATOM 1181 CA PRO A 80 -14.601 11.862 26.503 1.00 0.00 C ATOM 1182 C PRO A 80 -13.466 12.827 26.139 1.00 0.00 C ATOM 1183 O PRO A 80 -12.314 12.611 26.512 1.00 0.00 O ATOM 1184 CB PRO A 80 -14.648 11.520 27.994 1.00 0.00 C ATOM 1185 CG PRO A 80 -15.231 10.105 27.988 1.00 0.00 C ATOM 1186 CD PRO A 80 -14.576 9.488 26.751 1.00 0.00 C ATOM 0 HA PRO A 80 -15.514 12.381 26.212 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.658 11.550 28.449 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.276 12.216 28.551 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -14.980 9.558 28.897 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.318 10.113 27.911 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.607 9.051 26.994 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.191 8.689 26.336 1.00 0.00 H new ATOM 1194 N GLY A 81 -13.786 13.857 25.356 1.00 0.00 N ATOM 1195 CA GLY A 81 -12.831 14.748 24.733 1.00 0.00 C ATOM 1196 C GLY A 81 -13.526 15.420 23.552 1.00 0.00 C ATOM 1197 O GLY A 81 -14.753 15.379 23.453 1.00 0.00 O ATOM 0 H GLY A 81 -14.753 14.095 25.136 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.482 15.494 25.447 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.954 14.194 24.397 1.00 0.00 H new ATOM 1201 N THR A 82 -12.748 16.027 22.654 1.00 0.00 N ATOM 1202 CA THR A 82 -13.243 16.891 21.588 1.00 0.00 C ATOM 1203 C THR A 82 -14.109 18.004 22.195 1.00 0.00 C ATOM 1204 O THR A 82 -13.660 18.705 23.101 1.00 0.00 O ATOM 1205 CB THR A 82 -13.916 16.094 20.446 1.00 0.00 C ATOM 1206 OG1 THR A 82 -15.201 15.621 20.797 1.00 0.00 O ATOM 1207 CG2 THR A 82 -13.074 14.900 19.991 1.00 0.00 C ATOM 0 H THR A 82 -11.733 15.927 22.650 1.00 0.00 H new ATOM 0 HA THR A 82 -12.402 17.378 21.094 1.00 0.00 H new ATOM 0 HB THR A 82 -14.007 16.807 19.626 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.255 15.511 21.769 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.591 14.375 19.188 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.108 15.253 19.630 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.922 14.221 20.830 1.00 0.00 H new ATOM 1215 N ARG A 83 -15.364 18.137 21.762 1.00 0.00 N ATOM 1216 CA ARG A 83 -16.303 19.137 22.253 1.00 0.00 C ATOM 1217 C ARG A 83 -16.903 18.669 23.585 1.00 0.00 C ATOM 1218 O ARG A 83 -18.121 18.628 23.743 1.00 0.00 O ATOM 1219 CB ARG A 83 -17.394 19.361 21.192 1.00 0.00 C ATOM 1220 CG ARG A 83 -16.810 19.702 19.815 1.00 0.00 C ATOM 1221 CD ARG A 83 -17.933 19.942 18.800 1.00 0.00 C ATOM 1222 NE ARG A 83 -17.394 20.036 17.436 1.00 0.00 N ATOM 1223 CZ ARG A 83 -17.028 18.991 16.678 1.00 0.00 C ATOM 1224 NH1 ARG A 83 -17.206 17.736 17.109 1.00 0.00 N ATOM 1225 NH2 ARG A 83 -16.476 19.207 15.482 1.00 0.00 N ATOM 0 H ARG A 83 -15.762 17.535 21.041 1.00 0.00 H new ATOM 0 HA ARG A 83 -15.793 20.084 22.430 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.008 18.464 21.111 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.051 20.169 21.515 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.183 20.591 19.889 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.171 18.888 19.473 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -18.658 19.130 18.854 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -18.465 20.860 19.050 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.290 20.968 17.034 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.624 17.565 18.023 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.923 16.951 16.523 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.335 20.161 15.150 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.195 18.418 14.900 1.00 0.00 H new ATOM 1239 N ASN A 84 -16.057 18.269 24.538 1.00 0.00 N ATOM 1240 CA ASN A 84 -16.528 17.616 25.754 1.00 0.00 C ATOM 1241 C ASN A 84 -17.368 18.591 26.584 1.00 0.00 C ATOM 1242 O ASN A 84 -16.917 19.715 26.802 1.00 0.00 O ATOM 1243 CB ASN A 84 -15.346 17.102 26.582 1.00 0.00 C ATOM 1244 CG ASN A 84 -15.807 16.071 27.610 1.00 0.00 C ATOM 1245 OD1 ASN A 84 -15.713 14.872 27.369 1.00 0.00 O ATOM 1246 ND2 ASN A 84 -16.328 16.499 28.756 1.00 0.00 N ATOM 0 H ASN A 84 -15.045 18.387 24.488 1.00 0.00 H new ATOM 0 HA ASN A 84 -17.148 16.765 25.472 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.602 16.656 25.922 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.863 17.937 27.090 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -16.656 15.827 29.449 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -16.399 17.499 28.942 1.00 0.00 H new ATOM 1253 N PRO A 85 -18.551 18.191 27.081 1.00 0.00 N ATOM 1254 CA PRO A 85 -19.326 18.984 28.027 1.00 0.00 C ATOM 1255 C PRO A 85 -18.487 19.522 29.194 1.00 0.00 C ATOM 1256 O PRO A 85 -17.532 18.817 29.593 1.00 0.00 O ATOM 1257 CB PRO A 85 -20.435 18.053 28.522 1.00 0.00 C ATOM 1258 CG PRO A 85 -20.658 17.125 27.329 1.00 0.00 C ATOM 1259 CD PRO A 85 -19.248 16.953 26.765 1.00 0.00 C ATOM 1260 OXT PRO A 85 -18.835 20.618 29.682 1.00 0.00 O ATOM 0 HA PRO A 85 -19.720 19.877 27.543 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -20.132 17.501 29.412 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -21.340 18.604 28.780 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -21.091 16.172 27.633 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -21.336 17.564 26.597 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -18.747 16.095 27.214 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -19.274 16.780 25.689 1.00 0.00 H new TER 1268 PRO A 85