USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 417 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 56 SER OG : rot 180:sc= -0.209 USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 31 MET CE :methyl -129:sc= -0.0787 (180deg=0) USER MOD Set 2.2: A 39 HIS : no HD1:sc= -0.0141 X(o=-0.093,f=-0.24) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -118:sc= 0 (180deg=-0.103) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0958 USER MOD Single : A 8 ASN : amide:sc=-0.00859 X(o=-0.0086,f=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0332 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 75:sc= 0.908 USER MOD Single : A 18 THR OG1 : rot -156:sc= 0.908 USER MOD Single : A 23 TYR OH : rot -91:sc= 0.492 USER MOD Single : A 25 ASN : amide:sc= -0.689 K(o=-0.69,f=-1.9) USER MOD Single : A 28 THR OG1 : rot -26:sc= 0.716 USER MOD Single : A 29 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.0076) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.0357 K(o=-0.036,f=-0.92) USER MOD Single : A 44 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.526 K(o=-0.53,f=-2!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 170:sc= 0 (180deg=-0.0321) USER MOD Single : A 54 THR OG1 : rot 42:sc= 0.587 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot -100:sc= -0.733 USER MOD Single : A 62 THR OG1 : rot 35:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.926 0.240 29.216 1.00 0.00 N ATOM 2 CA GLY A 1 -32.644 -1.073 28.565 1.00 0.00 C ATOM 3 C GLY A 1 -31.378 -0.964 27.723 1.00 0.00 C ATOM 4 O GLY A 1 -31.380 -0.326 26.668 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.790 0.164 29.790 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.126 0.504 29.827 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.058 0.968 28.486 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.524 -1.848 29.322 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.486 -1.368 27.938 1.00 0.00 H new ATOM 10 N SER A 2 -30.299 -1.589 28.198 1.00 0.00 N ATOM 11 CA SER A 2 -29.026 -1.558 27.484 1.00 0.00 C ATOM 12 C SER A 2 -29.001 -2.618 26.386 1.00 0.00 C ATOM 13 O SER A 2 -29.133 -3.813 26.663 1.00 0.00 O ATOM 14 CB SER A 2 -27.875 -1.803 28.459 1.00 0.00 C ATOM 15 OG SER A 2 -27.912 -0.820 29.484 1.00 0.00 O ATOM 0 H SER A 2 -30.283 -2.119 29.069 1.00 0.00 H new ATOM 0 HA SER A 2 -28.911 -0.575 27.027 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.956 -2.800 28.892 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.922 -1.760 27.932 1.00 0.00 H new ATOM 0 HG SER A 2 -27.176 -0.975 30.112 1.00 0.00 H new ATOM 21 N MET A 3 -28.834 -2.170 25.139 1.00 0.00 N ATOM 22 CA MET A 3 -28.795 -3.085 23.997 1.00 0.00 C ATOM 23 C MET A 3 -27.926 -2.513 22.867 1.00 0.00 C ATOM 24 O MET A 3 -28.202 -2.733 21.684 1.00 0.00 O ATOM 25 CB MET A 3 -30.222 -3.353 23.486 1.00 0.00 C ATOM 26 CG MET A 3 -30.926 -2.029 23.159 1.00 0.00 C ATOM 27 SD MET A 3 -32.700 -2.321 22.960 1.00 0.00 S ATOM 28 CE MET A 3 -32.628 -3.033 21.297 1.00 0.00 C ATOM 0 H MET A 3 -28.724 -1.185 24.896 1.00 0.00 H new ATOM 0 HA MET A 3 -28.352 -4.025 24.325 1.00 0.00 H new ATOM 0 HB2 MET A 3 -30.185 -3.983 22.597 1.00 0.00 H new ATOM 0 HB3 MET A 3 -30.790 -3.898 24.240 1.00 0.00 H new ATOM 0 HG2 MET A 3 -30.753 -1.306 23.956 1.00 0.00 H new ATOM 0 HG3 MET A 3 -30.513 -1.601 22.246 1.00 0.00 H new ATOM 0 HE1 MET A 3 -33.189 -2.403 20.607 1.00 0.00 H new ATOM 0 HE2 MET A 3 -31.589 -3.093 20.972 1.00 0.00 H new ATOM 0 HE3 MET A 3 -33.062 -4.033 21.310 1.00 0.00 H new ATOM 38 N ALA A 4 -26.872 -1.780 23.243 1.00 0.00 N ATOM 39 CA ALA A 4 -25.966 -1.181 22.259 1.00 0.00 C ATOM 40 C ALA A 4 -24.660 -1.982 22.153 1.00 0.00 C ATOM 41 O ALA A 4 -23.595 -1.419 21.877 1.00 0.00 O ATOM 42 CB ALA A 4 -25.655 0.263 22.665 1.00 0.00 C ATOM 0 H ALA A 4 -26.627 -1.589 24.215 1.00 0.00 H new ATOM 0 HA ALA A 4 -26.455 -1.195 21.285 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -24.981 0.709 21.934 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -26.581 0.837 22.704 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -25.182 0.271 23.647 1.00 0.00 H new ATOM 48 N GLN A 5 -24.749 -3.298 22.368 1.00 0.00 N ATOM 49 CA GLN A 5 -23.575 -4.168 22.294 1.00 0.00 C ATOM 50 C GLN A 5 -23.550 -4.923 20.967 1.00 0.00 C ATOM 51 O GLN A 5 -22.513 -4.987 20.303 1.00 0.00 O ATOM 52 CB GLN A 5 -23.596 -5.171 23.450 1.00 0.00 C ATOM 53 CG GLN A 5 -22.224 -5.837 23.576 1.00 0.00 C ATOM 54 CD GLN A 5 -22.174 -6.701 24.829 1.00 0.00 C ATOM 55 OE1 GLN A 5 -22.149 -6.180 25.945 1.00 0.00 O ATOM 56 NE2 GLN A 5 -22.155 -8.002 24.714 1.00 0.00 N ATOM 0 H GLN A 5 -25.619 -3.781 22.594 1.00 0.00 H new ATOM 0 HA GLN A 5 -22.681 -3.548 22.365 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -23.852 -4.664 24.380 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.363 -5.925 23.276 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -22.026 -6.448 22.695 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -21.444 -5.076 23.618 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -22.176 -8.433 23.790 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -22.119 -8.587 25.549 1.00 0.00 H new ATOM 65 N GLU A 6 -24.695 -5.498 20.591 1.00 0.00 N ATOM 66 CA GLU A 6 -24.802 -6.254 19.343 1.00 0.00 C ATOM 67 C GLU A 6 -25.660 -5.503 18.328 1.00 0.00 C ATOM 68 O GLU A 6 -26.784 -5.101 18.635 1.00 0.00 O ATOM 69 CB GLU A 6 -25.422 -7.628 19.617 1.00 0.00 C ATOM 70 CG GLU A 6 -24.999 -8.612 18.525 1.00 0.00 C ATOM 71 CD GLU A 6 -25.905 -9.837 18.552 1.00 0.00 C ATOM 72 OE1 GLU A 6 -27.072 -9.694 18.229 1.00 0.00 O ATOM 73 OE2 GLU A 6 -25.419 -10.903 18.896 1.00 0.00 O ATOM 0 H GLU A 6 -25.559 -5.454 21.132 1.00 0.00 H new ATOM 0 HA GLU A 6 -23.800 -6.379 18.932 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -25.103 -7.994 20.593 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -26.509 -7.548 19.647 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -25.053 -8.130 17.549 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -23.962 -8.912 18.676 1.00 0.00 H new ATOM 80 N THR A 7 -25.123 -5.319 17.119 1.00 0.00 N ATOM 81 CA THR A 7 -25.845 -4.617 16.054 1.00 0.00 C ATOM 82 C THR A 7 -26.164 -5.574 14.905 1.00 0.00 C ATOM 83 O THR A 7 -25.518 -6.613 14.759 1.00 0.00 O ATOM 84 CB THR A 7 -25.005 -3.438 15.530 1.00 0.00 C ATOM 85 OG1 THR A 7 -25.674 -2.843 14.429 1.00 0.00 O ATOM 86 CG2 THR A 7 -23.618 -3.922 15.083 1.00 0.00 C ATOM 0 H THR A 7 -24.194 -5.645 16.853 1.00 0.00 H new ATOM 0 HA THR A 7 -26.779 -4.235 16.465 1.00 0.00 H new ATOM 0 HB THR A 7 -24.880 -2.709 16.331 1.00 0.00 H new ATOM 0 HG1 THR A 7 -25.144 -2.090 14.092 1.00 0.00 H new ATOM 0 HG21 THR A 7 -23.038 -3.075 14.716 1.00 0.00 H new ATOM 0 HG22 THR A 7 -23.101 -4.376 15.928 1.00 0.00 H new ATOM 0 HG23 THR A 7 -23.729 -4.659 14.287 1.00 0.00 H new ATOM 94 N ASN A 8 -27.159 -5.212 14.091 1.00 0.00 N ATOM 95 CA ASN A 8 -27.556 -6.040 12.953 1.00 0.00 C ATOM 96 C ASN A 8 -26.979 -5.478 11.646 1.00 0.00 C ATOM 97 O ASN A 8 -27.601 -5.577 10.584 1.00 0.00 O ATOM 98 CB ASN A 8 -29.086 -6.102 12.872 1.00 0.00 C ATOM 99 CG ASN A 8 -29.642 -6.817 14.100 1.00 0.00 C ATOM 100 OD1 ASN A 8 -30.404 -6.230 14.869 1.00 0.00 O ATOM 101 ND2 ASN A 8 -29.309 -8.058 14.330 1.00 0.00 N ATOM 0 H ASN A 8 -27.701 -4.355 14.199 1.00 0.00 H new ATOM 0 HA ASN A 8 -27.161 -7.046 13.095 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -29.497 -5.094 12.810 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -29.390 -6.626 11.966 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -29.680 -8.543 15.147 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -28.678 -8.543 13.692 1.00 0.00 H new ATOM 108 N GLN A 9 -25.780 -4.889 11.734 1.00 0.00 N ATOM 109 CA GLN A 9 -25.123 -4.315 10.563 1.00 0.00 C ATOM 110 C GLN A 9 -24.247 -5.355 9.868 1.00 0.00 C ATOM 111 O GLN A 9 -23.227 -5.780 10.413 1.00 0.00 O ATOM 112 CB GLN A 9 -24.258 -3.123 10.983 1.00 0.00 C ATOM 113 CG GLN A 9 -23.924 -2.278 9.751 1.00 0.00 C ATOM 114 CD GLN A 9 -22.811 -1.290 10.079 1.00 0.00 C ATOM 115 OE1 GLN A 9 -21.831 -1.189 9.340 1.00 0.00 O ATOM 116 NE2 GLN A 9 -22.903 -0.548 11.148 1.00 0.00 N ATOM 0 H GLN A 9 -25.251 -4.800 12.601 1.00 0.00 H new ATOM 0 HA GLN A 9 -25.894 -3.984 9.867 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -24.786 -2.518 11.720 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -23.341 -3.474 11.456 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -23.616 -2.925 8.929 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -24.812 -1.740 9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -23.715 -0.633 11.759 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -22.163 0.117 11.373 1.00 0.00 H new ATOM 125 N THR A 10 -24.651 -5.751 8.659 1.00 0.00 N ATOM 126 CA THR A 10 -23.895 -6.734 7.892 1.00 0.00 C ATOM 127 C THR A 10 -22.814 -6.035 7.056 1.00 0.00 C ATOM 128 O THR A 10 -23.027 -4.907 6.603 1.00 0.00 O ATOM 129 CB THR A 10 -24.832 -7.515 6.966 1.00 0.00 C ATOM 130 OG1 THR A 10 -25.692 -6.607 6.293 1.00 0.00 O ATOM 131 CG2 THR A 10 -25.670 -8.499 7.785 1.00 0.00 C ATOM 0 H THR A 10 -25.492 -5.407 8.196 1.00 0.00 H new ATOM 0 HA THR A 10 -23.420 -7.425 8.588 1.00 0.00 H new ATOM 0 HB THR A 10 -24.240 -8.069 6.237 1.00 0.00 H new ATOM 0 HG1 THR A 10 -26.292 -7.104 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 10 -26.335 -9.052 7.121 1.00 0.00 H new ATOM 0 HG22 THR A 10 -25.011 -9.197 8.301 1.00 0.00 H new ATOM 0 HG23 THR A 10 -26.263 -7.951 8.517 1.00 0.00 H new ATOM 139 N PRO A 11 -21.667 -6.663 6.837 1.00 0.00 N ATOM 140 CA PRO A 11 -20.564 -6.051 6.034 1.00 0.00 C ATOM 141 C PRO A 11 -20.855 -6.106 4.533 1.00 0.00 C ATOM 142 O PRO A 11 -21.415 -7.088 4.042 1.00 0.00 O ATOM 143 CB PRO A 11 -19.344 -6.906 6.389 1.00 0.00 C ATOM 144 CG PRO A 11 -19.892 -8.246 6.750 1.00 0.00 C ATOM 145 CD PRO A 11 -21.291 -8.013 7.321 1.00 0.00 C ATOM 0 HA PRO A 11 -20.426 -4.993 6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -18.655 -6.977 5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -18.788 -6.472 7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -19.935 -8.894 5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -19.253 -8.740 7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -21.994 -8.770 6.972 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -21.288 -8.058 8.410 1.00 0.00 H new ATOM 153 N GLY A 12 -20.472 -5.047 3.811 1.00 0.00 N ATOM 154 CA GLY A 12 -20.696 -4.989 2.367 1.00 0.00 C ATOM 155 C GLY A 12 -20.262 -3.636 1.786 1.00 0.00 C ATOM 156 O GLY A 12 -19.357 -3.591 0.952 1.00 0.00 O ATOM 0 H GLY A 12 -20.009 -4.226 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -20.142 -5.791 1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -21.752 -5.156 2.154 1.00 0.00 H new ATOM 160 N PRO A 13 -20.880 -2.536 2.200 1.00 0.00 N ATOM 161 CA PRO A 13 -20.527 -1.181 1.690 1.00 0.00 C ATOM 162 C PRO A 13 -19.339 -0.567 2.443 1.00 0.00 C ATOM 163 O PRO A 13 -19.495 0.386 3.211 1.00 0.00 O ATOM 164 CB PRO A 13 -21.813 -0.385 1.914 1.00 0.00 C ATOM 165 CG PRO A 13 -22.446 -0.995 3.124 1.00 0.00 C ATOM 166 CD PRO A 13 -21.978 -2.456 3.192 1.00 0.00 C ATOM 0 HA PRO A 13 -20.204 -1.193 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -21.599 0.672 2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.473 -0.451 1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -22.154 -0.455 4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.533 -0.942 3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.630 -2.716 4.192 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -22.787 -3.144 2.947 1.00 0.00 H new ATOM 174 N MET A 14 -18.152 -1.131 2.213 1.00 0.00 N ATOM 175 CA MET A 14 -16.937 -0.646 2.872 1.00 0.00 C ATOM 176 C MET A 14 -16.527 0.727 2.345 1.00 0.00 C ATOM 177 O MET A 14 -15.857 0.828 1.313 1.00 0.00 O ATOM 178 CB MET A 14 -15.789 -1.631 2.645 1.00 0.00 C ATOM 179 CG MET A 14 -16.000 -2.880 3.501 1.00 0.00 C ATOM 180 SD MET A 14 -14.427 -3.756 3.679 1.00 0.00 S ATOM 181 CE MET A 14 -14.802 -4.595 5.237 1.00 0.00 C ATOM 0 H MET A 14 -18.006 -1.918 1.581 1.00 0.00 H new ATOM 0 HA MET A 14 -17.151 -0.560 3.937 1.00 0.00 H new ATOM 0 HB2 MET A 14 -15.737 -1.906 1.592 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.839 -1.161 2.899 1.00 0.00 H new ATOM 0 HG2 MET A 14 -16.387 -2.602 4.481 1.00 0.00 H new ATOM 0 HG3 MET A 14 -16.742 -3.531 3.038 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.949 -5.203 5.537 1.00 0.00 H new ATOM 0 HE2 MET A 14 -15.009 -3.854 6.009 1.00 0.00 H new ATOM 0 HE3 MET A 14 -15.675 -5.234 5.105 1.00 0.00 H new ATOM 191 N LEU A 15 -16.917 1.778 3.065 1.00 0.00 N ATOM 192 CA LEU A 15 -16.571 3.143 2.670 1.00 0.00 C ATOM 193 C LEU A 15 -15.089 3.399 2.956 1.00 0.00 C ATOM 194 O LEU A 15 -14.566 2.929 3.966 1.00 0.00 O ATOM 195 CB LEU A 15 -17.455 4.152 3.447 1.00 0.00 C ATOM 196 CG LEU A 15 -18.474 4.854 2.522 1.00 0.00 C ATOM 197 CD1 LEU A 15 -17.737 5.707 1.489 1.00 0.00 C ATOM 198 CD2 LEU A 15 -19.359 3.819 1.807 1.00 0.00 C ATOM 0 H LEU A 15 -17.469 1.712 3.920 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.751 3.271 1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -17.986 3.631 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -16.821 4.900 3.923 1.00 0.00 H new ATOM 0 HG LEU A 15 -19.111 5.495 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.461 6.199 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.137 6.460 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.086 5.071 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -20.070 4.333 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.734 3.159 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.901 3.231 2.547 1.00 0.00 H new ATOM 210 N CYS A 16 -14.409 4.125 2.046 1.00 0.00 N ATOM 211 CA CYS A 16 -12.964 4.430 2.173 1.00 0.00 C ATOM 212 C CYS A 16 -12.535 4.757 3.618 1.00 0.00 C ATOM 213 O CYS A 16 -13.228 5.475 4.337 1.00 0.00 O ATOM 214 CB CYS A 16 -12.601 5.609 1.254 1.00 0.00 C ATOM 215 SG CYS A 16 -10.797 5.711 1.073 1.00 0.00 S ATOM 0 H CYS A 16 -14.839 4.515 1.207 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.427 3.529 1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -13.067 5.478 0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.988 6.539 1.670 1.00 0.00 H new ATOM 220 N SER A 17 -11.388 4.201 4.017 1.00 0.00 N ATOM 221 CA SER A 17 -10.852 4.404 5.367 1.00 0.00 C ATOM 222 C SER A 17 -10.543 5.879 5.652 1.00 0.00 C ATOM 223 O SER A 17 -10.521 6.295 6.812 1.00 0.00 O ATOM 224 CB SER A 17 -9.570 3.580 5.537 1.00 0.00 C ATOM 225 OG SER A 17 -9.895 2.196 5.543 1.00 0.00 O ATOM 0 H SER A 17 -10.811 3.605 3.423 1.00 0.00 H new ATOM 0 HA SER A 17 -11.615 4.080 6.075 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.874 3.798 4.727 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.071 3.852 6.467 1.00 0.00 H new ATOM 0 HG SER A 17 -10.097 1.904 4.630 1.00 0.00 H new ATOM 231 N THR A 18 -10.283 6.656 4.595 1.00 0.00 N ATOM 232 CA THR A 18 -9.950 8.076 4.756 1.00 0.00 C ATOM 233 C THR A 18 -11.189 8.986 4.709 1.00 0.00 C ATOM 234 O THR A 18 -11.068 10.192 4.942 1.00 0.00 O ATOM 235 CB THR A 18 -8.963 8.509 3.663 1.00 0.00 C ATOM 236 OG1 THR A 18 -9.588 8.407 2.391 1.00 0.00 O ATOM 237 CG2 THR A 18 -7.718 7.612 3.698 1.00 0.00 C ATOM 0 H THR A 18 -10.296 6.330 3.628 1.00 0.00 H new ATOM 0 HA THR A 18 -9.499 8.185 5.742 1.00 0.00 H new ATOM 0 HB THR A 18 -8.664 9.542 3.840 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.903 8.307 1.697 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.022 7.925 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.236 7.697 4.672 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.011 6.576 3.527 1.00 0.00 H new ATOM 245 N GLY A 19 -12.370 8.420 4.420 1.00 0.00 N ATOM 246 CA GLY A 19 -13.600 9.212 4.368 1.00 0.00 C ATOM 247 C GLY A 19 -13.594 10.177 3.185 1.00 0.00 C ATOM 248 O GLY A 19 -14.017 11.328 3.319 1.00 0.00 O ATOM 0 H GLY A 19 -12.496 7.427 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.460 8.546 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.713 9.773 5.296 1.00 0.00 H new ATOM 252 N CYS A 20 -13.117 9.702 2.030 1.00 0.00 N ATOM 253 CA CYS A 20 -13.067 10.539 0.829 1.00 0.00 C ATOM 254 C CYS A 20 -14.402 10.492 0.036 1.00 0.00 C ATOM 255 O CYS A 20 -14.624 11.327 -0.845 1.00 0.00 O ATOM 256 CB CYS A 20 -11.851 10.138 -0.053 1.00 0.00 C ATOM 257 SG CYS A 20 -12.130 8.564 -0.918 1.00 0.00 S ATOM 0 H CYS A 20 -12.764 8.754 1.902 1.00 0.00 H new ATOM 0 HA CYS A 20 -12.933 11.575 1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -11.657 10.924 -0.783 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.961 10.056 0.571 1.00 0.00 H new ATOM 262 N GLY A 21 -15.288 9.530 0.363 1.00 0.00 N ATOM 263 CA GLY A 21 -16.589 9.421 -0.317 1.00 0.00 C ATOM 264 C GLY A 21 -16.639 8.300 -1.375 1.00 0.00 C ATOM 265 O GLY A 21 -17.706 8.030 -1.930 1.00 0.00 O ATOM 0 H GLY A 21 -15.128 8.827 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.365 9.242 0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.820 10.372 -0.796 1.00 0.00 H new ATOM 269 N PHE A 22 -15.496 7.672 -1.667 1.00 0.00 N ATOM 270 CA PHE A 22 -15.429 6.611 -2.672 1.00 0.00 C ATOM 271 C PHE A 22 -15.646 5.241 -2.033 1.00 0.00 C ATOM 272 O PHE A 22 -15.819 5.138 -0.822 1.00 0.00 O ATOM 273 CB PHE A 22 -14.065 6.646 -3.371 1.00 0.00 C ATOM 274 CG PHE A 22 -14.006 7.826 -4.323 1.00 0.00 C ATOM 275 CD1 PHE A 22 -14.103 9.139 -3.835 1.00 0.00 C ATOM 276 CD2 PHE A 22 -13.859 7.601 -5.695 1.00 0.00 C ATOM 277 CE1 PHE A 22 -14.057 10.221 -4.725 1.00 0.00 C ATOM 278 CE2 PHE A 22 -13.809 8.684 -6.582 1.00 0.00 C ATOM 279 CZ PHE A 22 -13.910 9.993 -6.098 1.00 0.00 C ATOM 0 H PHE A 22 -14.604 7.882 -1.220 1.00 0.00 H new ATOM 0 HA PHE A 22 -16.219 6.779 -3.403 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -13.269 6.724 -2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -13.902 5.717 -3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -14.213 9.315 -2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -13.784 6.591 -6.071 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -14.135 11.231 -4.351 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -13.692 8.508 -7.641 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.875 10.827 -6.783 1.00 0.00 H new ATOM 289 N TYR A 23 -15.629 4.194 -2.859 1.00 0.00 N ATOM 290 CA TYR A 23 -15.829 2.828 -2.373 1.00 0.00 C ATOM 291 C TYR A 23 -14.489 2.199 -1.989 1.00 0.00 C ATOM 292 O TYR A 23 -13.507 2.322 -2.722 1.00 0.00 O ATOM 293 CB TYR A 23 -16.510 2.001 -3.469 1.00 0.00 C ATOM 294 CG TYR A 23 -17.322 0.871 -2.870 1.00 0.00 C ATOM 295 CD1 TYR A 23 -18.343 1.151 -1.947 1.00 0.00 C ATOM 296 CD2 TYR A 23 -17.080 -0.451 -3.265 1.00 0.00 C ATOM 297 CE1 TYR A 23 -19.113 0.108 -1.417 1.00 0.00 C ATOM 298 CE2 TYR A 23 -17.855 -1.491 -2.739 1.00 0.00 C ATOM 299 CZ TYR A 23 -18.873 -1.212 -1.814 1.00 0.00 C ATOM 300 OH TYR A 23 -19.636 -2.240 -1.299 1.00 0.00 O ATOM 0 H TYR A 23 -15.479 4.265 -3.865 1.00 0.00 H new ATOM 0 HA TYR A 23 -16.462 2.848 -1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -17.158 2.644 -4.065 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.757 1.594 -4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -18.534 2.170 -1.646 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -16.296 -0.668 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -19.893 0.323 -0.701 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -17.669 -2.510 -3.045 1.00 0.00 H new ATOM 0 HH TYR A 23 -19.210 -2.589 -0.488 1.00 0.00 H new ATOM 310 N GLY A 24 -14.462 1.525 -0.836 1.00 0.00 N ATOM 311 CA GLY A 24 -13.240 0.875 -0.356 1.00 0.00 C ATOM 312 C GLY A 24 -13.270 -0.628 -0.637 1.00 0.00 C ATOM 313 O GLY A 24 -14.312 -1.270 -0.499 1.00 0.00 O ATOM 0 H GLY A 24 -15.268 1.416 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.372 1.322 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.130 1.046 0.715 1.00 0.00 H new ATOM 317 N ASN A 25 -12.117 -1.180 -1.040 1.00 0.00 N ATOM 318 CA ASN A 25 -12.018 -2.610 -1.349 1.00 0.00 C ATOM 319 C ASN A 25 -11.398 -3.369 -0.164 1.00 0.00 C ATOM 320 O ASN A 25 -10.404 -2.905 0.400 1.00 0.00 O ATOM 321 CB ASN A 25 -11.146 -2.821 -2.597 1.00 0.00 C ATOM 322 CG ASN A 25 -11.614 -4.053 -3.370 1.00 0.00 C ATOM 323 OD1 ASN A 25 -10.908 -5.058 -3.431 1.00 0.00 O ATOM 324 ND2 ASN A 25 -12.773 -4.032 -3.972 1.00 0.00 N ATOM 0 H ASN A 25 -11.247 -0.661 -1.158 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.021 -2.993 -1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.197 -1.941 -3.238 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.103 -2.942 -2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.092 -4.849 -4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.359 -3.199 -3.922 1.00 0.00 H new ATOM 331 N PRO A 26 -11.943 -4.517 0.226 1.00 0.00 N ATOM 332 CA PRO A 26 -11.386 -5.305 1.364 1.00 0.00 C ATOM 333 C PRO A 26 -10.094 -6.040 1.002 1.00 0.00 C ATOM 334 O PRO A 26 -9.301 -6.366 1.887 1.00 0.00 O ATOM 335 CB PRO A 26 -12.503 -6.277 1.718 1.00 0.00 C ATOM 336 CG PRO A 26 -13.277 -6.472 0.460 1.00 0.00 C ATOM 337 CD PRO A 26 -13.133 -5.187 -0.355 1.00 0.00 C ATOM 0 HA PRO A 26 -11.101 -4.663 2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.100 -7.222 2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.136 -5.876 2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.897 -7.328 -0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.325 -6.675 0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -12.991 -5.401 -1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.022 -4.562 -0.272 1.00 0.00 H new ATOM 345 N ARG A 27 -9.873 -6.272 -0.295 1.00 0.00 N ATOM 346 CA ARG A 27 -8.649 -6.938 -0.749 1.00 0.00 C ATOM 347 C ARG A 27 -7.465 -5.965 -0.679 1.00 0.00 C ATOM 348 O ARG A 27 -6.334 -6.372 -0.408 1.00 0.00 O ATOM 349 CB ARG A 27 -8.819 -7.432 -2.190 1.00 0.00 C ATOM 350 CG ARG A 27 -9.474 -8.820 -2.196 1.00 0.00 C ATOM 351 CD ARG A 27 -10.999 -8.685 -2.275 1.00 0.00 C ATOM 352 NE ARG A 27 -11.631 -10.007 -2.167 1.00 0.00 N ATOM 353 CZ ARG A 27 -12.941 -10.171 -1.899 1.00 0.00 C ATOM 354 NH1 ARG A 27 -13.748 -9.141 -1.745 1.00 0.00 N ATOM 355 NH2 ARG A 27 -13.421 -11.383 -1.796 1.00 0.00 N ATOM 0 H ARG A 27 -10.517 -6.012 -1.042 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.455 -7.791 -0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.432 -6.729 -2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.849 -7.477 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.108 -9.399 -3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.196 -9.365 -1.294 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.356 -8.037 -1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.282 -8.214 -3.217 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.053 -10.837 -2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.385 -8.192 -1.828 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.736 -9.293 -1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.806 -12.187 -1.918 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.411 -11.524 -1.593 1.00 0.00 H new ATOM 369 N THR A 28 -7.752 -4.676 -0.891 1.00 0.00 N ATOM 370 CA THR A 28 -6.720 -3.654 -0.814 1.00 0.00 C ATOM 371 C THR A 28 -6.482 -3.341 0.677 1.00 0.00 C ATOM 372 O THR A 28 -6.738 -4.200 1.524 1.00 0.00 O ATOM 373 CB THR A 28 -7.159 -2.407 -1.608 1.00 0.00 C ATOM 374 OG1 THR A 28 -8.294 -1.829 -0.980 1.00 0.00 O ATOM 375 CG2 THR A 28 -7.512 -2.794 -3.050 1.00 0.00 C ATOM 0 H THR A 28 -8.683 -4.325 -1.115 1.00 0.00 H new ATOM 0 HA THR A 28 -5.786 -3.998 -1.258 1.00 0.00 H new ATOM 0 HB THR A 28 -6.340 -1.688 -1.627 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.783 -2.521 -0.487 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.820 -1.905 -3.600 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.640 -3.235 -3.532 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.327 -3.518 -3.043 1.00 0.00 H new ATOM 383 N ASN A 29 -6.024 -2.127 1.006 1.00 0.00 N ATOM 384 CA ASN A 29 -5.804 -1.752 2.409 1.00 0.00 C ATOM 385 C ASN A 29 -7.059 -1.091 3.008 1.00 0.00 C ATOM 386 O ASN A 29 -6.950 -0.261 3.916 1.00 0.00 O ATOM 387 CB ASN A 29 -4.597 -0.804 2.515 1.00 0.00 C ATOM 388 CG ASN A 29 -3.306 -1.603 2.688 1.00 0.00 C ATOM 389 OD1 ASN A 29 -2.504 -1.299 3.570 1.00 0.00 O ATOM 390 ND2 ASN A 29 -3.054 -2.615 1.900 1.00 0.00 N ATOM 0 H ASN A 29 -5.801 -1.396 0.330 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.597 -2.658 2.979 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.532 -0.186 1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.730 -0.128 3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.194 -3.151 2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.717 -2.869 1.168 1.00 0.00 H new ATOM 397 N GLY A 30 -8.249 -1.432 2.482 1.00 0.00 N ATOM 398 CA GLY A 30 -9.489 -0.828 2.960 1.00 0.00 C ATOM 399 C GLY A 30 -9.689 0.573 2.354 1.00 0.00 C ATOM 400 O GLY A 30 -10.475 1.365 2.876 1.00 0.00 O ATOM 0 H GLY A 30 -8.370 -2.115 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.333 -1.466 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.468 -0.758 4.048 1.00 0.00 H new ATOM 404 N MET A 31 -8.959 0.879 1.264 1.00 0.00 N ATOM 405 CA MET A 31 -9.051 2.187 0.620 1.00 0.00 C ATOM 406 C MET A 31 -9.495 2.066 -0.835 1.00 0.00 C ATOM 407 O MET A 31 -9.388 1.001 -1.447 1.00 0.00 O ATOM 408 CB MET A 31 -7.686 2.871 0.648 1.00 0.00 C ATOM 409 CG MET A 31 -7.415 3.426 2.045 1.00 0.00 C ATOM 410 SD MET A 31 -5.666 3.864 2.181 1.00 0.00 S ATOM 411 CE MET A 31 -5.489 3.537 3.949 1.00 0.00 C ATOM 0 H MET A 31 -8.304 0.236 0.819 1.00 0.00 H new ATOM 0 HA MET A 31 -9.790 2.771 1.168 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.907 2.160 0.371 1.00 0.00 H new ATOM 0 HB3 MET A 31 -7.657 3.677 -0.085 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.037 4.302 2.228 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.677 2.685 2.801 1.00 0.00 H new ATOM 0 HE1 MET A 31 -5.033 4.400 4.435 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.471 3.352 4.385 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.856 2.661 4.096 1.00 0.00 H new ATOM 421 N CYS A 32 -9.992 3.181 -1.374 1.00 0.00 N ATOM 422 CA CYS A 32 -10.453 3.224 -2.753 1.00 0.00 C ATOM 423 C CYS A 32 -9.245 3.220 -3.710 1.00 0.00 C ATOM 424 O CYS A 32 -8.148 2.830 -3.313 1.00 0.00 O ATOM 425 CB CYS A 32 -11.372 4.456 -2.956 1.00 0.00 C ATOM 426 SG CYS A 32 -10.442 6.015 -2.837 1.00 0.00 S ATOM 0 H CYS A 32 -10.083 4.064 -0.872 1.00 0.00 H new ATOM 0 HA CYS A 32 -11.044 2.337 -2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.854 4.393 -3.931 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.164 4.447 -2.207 1.00 0.00 H new ATOM 431 N SER A 33 -9.453 3.629 -4.966 1.00 0.00 N ATOM 432 CA SER A 33 -8.371 3.637 -5.957 1.00 0.00 C ATOM 433 C SER A 33 -7.384 4.796 -5.748 1.00 0.00 C ATOM 434 O SER A 33 -6.171 4.608 -5.871 1.00 0.00 O ATOM 435 CB SER A 33 -8.966 3.710 -7.371 1.00 0.00 C ATOM 436 OG SER A 33 -8.219 2.867 -8.238 1.00 0.00 O ATOM 0 H SER A 33 -10.352 3.956 -5.319 1.00 0.00 H new ATOM 0 HA SER A 33 -7.810 2.711 -5.830 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.011 3.400 -7.355 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.944 4.737 -7.735 1.00 0.00 H new ATOM 0 HG SER A 33 -8.597 2.910 -9.141 1.00 0.00 H new ATOM 442 N VAL A 34 -7.907 5.990 -5.470 1.00 0.00 N ATOM 443 CA VAL A 34 -7.059 7.184 -5.292 1.00 0.00 C ATOM 444 C VAL A 34 -6.236 7.116 -3.998 1.00 0.00 C ATOM 445 O VAL A 34 -5.048 7.445 -3.988 1.00 0.00 O ATOM 446 CB VAL A 34 -7.925 8.465 -5.250 1.00 0.00 C ATOM 447 CG1 VAL A 34 -7.031 9.689 -5.445 1.00 0.00 C ATOM 448 CG2 VAL A 34 -8.985 8.453 -6.361 1.00 0.00 C ATOM 0 H VAL A 34 -8.906 6.163 -5.362 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.379 7.213 -6.143 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.426 8.504 -4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.640 10.593 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.287 9.727 -4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.528 9.622 -6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.579 9.365 -6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.493 8.397 -7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.636 7.588 -6.233 1.00 0.00 H new ATOM 458 N CYS A 35 -6.894 6.738 -2.906 1.00 0.00 N ATOM 459 CA CYS A 35 -6.253 6.673 -1.590 1.00 0.00 C ATOM 460 C CYS A 35 -5.301 5.484 -1.458 1.00 0.00 C ATOM 461 O CYS A 35 -4.275 5.589 -0.784 1.00 0.00 O ATOM 462 CB CYS A 35 -7.322 6.578 -0.495 1.00 0.00 C ATOM 463 SG CYS A 35 -8.375 8.055 -0.533 1.00 0.00 S ATOM 0 H CYS A 35 -7.878 6.470 -2.904 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.666 7.585 -1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.928 5.684 -0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.848 6.484 0.482 1.00 0.00 H new ATOM 468 N TYR A 36 -5.659 4.351 -2.067 1.00 0.00 N ATOM 469 CA TYR A 36 -4.830 3.143 -1.967 1.00 0.00 C ATOM 470 C TYR A 36 -3.448 3.343 -2.601 1.00 0.00 C ATOM 471 O TYR A 36 -2.456 2.837 -2.071 1.00 0.00 O ATOM 472 CB TYR A 36 -5.561 1.942 -2.598 1.00 0.00 C ATOM 473 CG TYR A 36 -4.762 0.662 -2.411 1.00 0.00 C ATOM 474 CD1 TYR A 36 -4.331 0.274 -1.133 1.00 0.00 C ATOM 475 CD2 TYR A 36 -4.452 -0.128 -3.522 1.00 0.00 C ATOM 476 CE1 TYR A 36 -3.590 -0.900 -0.972 1.00 0.00 C ATOM 477 CE2 TYR A 36 -3.712 -1.305 -3.361 1.00 0.00 C ATOM 478 CZ TYR A 36 -3.281 -1.692 -2.086 1.00 0.00 C ATOM 479 OH TYR A 36 -2.552 -2.852 -1.926 1.00 0.00 O ATOM 0 H TYR A 36 -6.504 4.243 -2.627 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.667 2.937 -0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.546 1.831 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -5.719 2.125 -3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.572 0.883 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.784 0.170 -4.506 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.256 -1.197 0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.473 -1.915 -4.220 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.426 -3.282 -2.797 1.00 0.00 H new ATOM 489 N LYS A 37 -3.377 4.081 -3.714 1.00 0.00 N ATOM 490 CA LYS A 37 -2.088 4.325 -4.362 1.00 0.00 C ATOM 491 C LYS A 37 -1.309 5.368 -3.562 1.00 0.00 C ATOM 492 O LYS A 37 -0.106 5.225 -3.335 1.00 0.00 O ATOM 493 CB LYS A 37 -2.273 4.783 -5.823 1.00 0.00 C ATOM 494 CG LYS A 37 -3.051 6.111 -5.901 1.00 0.00 C ATOM 495 CD LYS A 37 -3.375 6.456 -7.373 1.00 0.00 C ATOM 496 CE LYS A 37 -2.644 7.737 -7.806 1.00 0.00 C ATOM 497 NZ LYS A 37 -3.567 8.900 -7.685 1.00 0.00 N ATOM 0 H LYS A 37 -4.179 4.511 -4.175 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.524 3.392 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.298 4.903 -6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.806 4.014 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.974 6.034 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.463 6.912 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.081 5.628 -8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.450 6.587 -7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.762 7.893 -7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.296 7.640 -8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.073 9.767 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.396 8.751 -8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.878 8.995 -6.697 1.00 0.00 H new ATOM 511 N GLU A 38 -2.021 6.418 -3.133 1.00 0.00 N ATOM 512 CA GLU A 38 -1.416 7.496 -2.348 1.00 0.00 C ATOM 513 C GLU A 38 -0.893 6.961 -1.017 1.00 0.00 C ATOM 514 O GLU A 38 0.239 7.251 -0.626 1.00 0.00 O ATOM 515 CB GLU A 38 -2.452 8.591 -2.087 1.00 0.00 C ATOM 516 CG GLU A 38 -2.783 9.295 -3.403 1.00 0.00 C ATOM 517 CD GLU A 38 -1.621 10.190 -3.817 1.00 0.00 C ATOM 518 OE1 GLU A 38 -1.182 10.976 -2.994 1.00 0.00 O ATOM 519 OE2 GLU A 38 -1.188 10.078 -4.952 1.00 0.00 O ATOM 0 H GLU A 38 -3.017 6.542 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.581 7.910 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.355 8.159 -1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.065 9.309 -1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.981 8.557 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.689 9.890 -3.290 1.00 0.00 H new ATOM 526 N HIS A 39 -1.725 6.182 -0.321 1.00 0.00 N ATOM 527 CA HIS A 39 -1.351 5.603 0.979 1.00 0.00 C ATOM 528 C HIS A 39 -0.097 4.735 0.852 1.00 0.00 C ATOM 529 O HIS A 39 0.819 4.827 1.670 1.00 0.00 O ATOM 530 CB HIS A 39 -2.508 4.730 1.487 1.00 0.00 C ATOM 531 CG HIS A 39 -2.331 4.407 2.944 1.00 0.00 C ATOM 532 ND1 HIS A 39 -2.469 5.362 3.938 1.00 0.00 N ATOM 533 CD2 HIS A 39 -2.052 3.227 3.593 1.00 0.00 C ATOM 534 CE1 HIS A 39 -2.278 4.748 5.121 1.00 0.00 C ATOM 535 NE2 HIS A 39 -2.020 3.447 4.967 1.00 0.00 N ATOM 0 H HIS A 39 -2.664 5.935 -0.634 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.145 6.416 1.675 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.455 5.249 1.337 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.555 3.808 0.908 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.884 2.276 3.111 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.327 5.247 6.078 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.838 2.761 5.700 1.00 0.00 H new ATOM 544 N LEU A 40 -0.081 3.882 -0.174 1.00 0.00 N ATOM 545 CA LEU A 40 1.045 2.974 -0.407 1.00 0.00 C ATOM 546 C LEU A 40 2.356 3.738 -0.650 1.00 0.00 C ATOM 547 O LEU A 40 3.434 3.201 -0.385 1.00 0.00 O ATOM 548 CB LEU A 40 0.727 2.044 -1.603 1.00 0.00 C ATOM 549 CG LEU A 40 0.609 0.586 -1.130 1.00 0.00 C ATOM 550 CD1 LEU A 40 -0.659 0.417 -0.288 1.00 0.00 C ATOM 551 CD2 LEU A 40 0.536 -0.337 -2.346 1.00 0.00 C ATOM 0 H LEU A 40 -0.834 3.801 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 40 1.186 2.373 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.204 2.356 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.511 2.127 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 40 1.480 0.331 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.739 -0.618 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.610 1.075 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.532 0.673 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.452 -1.372 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.335 -0.078 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.439 -0.221 -2.946 1.00 0.00 H new ATOM 563 N GLN A 41 2.274 4.980 -1.158 1.00 0.00 N ATOM 564 CA GLN A 41 3.484 5.784 -1.430 1.00 0.00 C ATOM 565 C GLN A 41 4.359 5.918 -0.177 1.00 0.00 C ATOM 566 O GLN A 41 5.588 5.929 -0.265 1.00 0.00 O ATOM 567 CB GLN A 41 3.082 7.185 -1.924 1.00 0.00 C ATOM 568 CG GLN A 41 4.153 7.734 -2.873 1.00 0.00 C ATOM 569 CD GLN A 41 3.777 9.142 -3.334 1.00 0.00 C ATOM 570 OE1 GLN A 41 4.119 10.123 -2.673 1.00 0.00 O ATOM 571 NE2 GLN A 41 3.097 9.302 -4.436 1.00 0.00 N ATOM 0 H GLN A 41 1.396 5.446 -1.387 1.00 0.00 H new ATOM 0 HA GLN A 41 4.061 5.271 -2.199 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.121 7.137 -2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.958 7.857 -1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.120 7.754 -2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.257 7.076 -3.736 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.814 8.489 -4.983 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.849 10.240 -4.750 1.00 0.00 H new ATOM 580 N ARG A 42 3.708 6.026 0.978 1.00 0.00 N ATOM 581 CA ARG A 42 4.422 6.161 2.247 1.00 0.00 C ATOM 582 C ARG A 42 4.841 4.790 2.793 1.00 0.00 C ATOM 583 O ARG A 42 5.852 4.680 3.490 1.00 0.00 O ATOM 584 CB ARG A 42 3.540 6.891 3.263 1.00 0.00 C ATOM 585 CG ARG A 42 3.548 8.391 2.944 1.00 0.00 C ATOM 586 CD ARG A 42 3.064 9.196 4.156 1.00 0.00 C ATOM 587 NE ARG A 42 1.626 9.462 4.042 1.00 0.00 N ATOM 588 CZ ARG A 42 0.680 8.652 4.558 1.00 0.00 C ATOM 589 NH1 ARG A 42 0.980 7.541 5.196 1.00 0.00 N ATOM 590 NH2 ARG A 42 -0.575 8.978 4.414 1.00 0.00 N ATOM 0 H ARG A 42 2.692 6.023 1.063 1.00 0.00 H new ATOM 0 HA ARG A 42 5.327 6.743 2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.522 6.503 3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.909 6.719 4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.555 8.706 2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.906 8.591 2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.268 8.645 5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.612 10.136 4.220 1.00 0.00 H new ATOM 0 HE ARG A 42 1.327 10.302 3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.956 7.268 5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.237 6.953 5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.826 9.833 3.918 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.305 8.378 4.797 1.00 0.00 H new ATOM 604 N GLN A 43 4.066 3.749 2.467 1.00 0.00 N ATOM 605 CA GLN A 43 4.370 2.390 2.924 1.00 0.00 C ATOM 606 C GLN A 43 5.675 1.879 2.299 1.00 0.00 C ATOM 607 O GLN A 43 6.469 1.212 2.967 1.00 0.00 O ATOM 608 CB GLN A 43 3.219 1.448 2.548 1.00 0.00 C ATOM 609 CG GLN A 43 3.234 0.221 3.461 1.00 0.00 C ATOM 610 CD GLN A 43 2.577 0.556 4.794 1.00 0.00 C ATOM 611 OE1 GLN A 43 3.255 0.965 5.736 1.00 0.00 O ATOM 612 NE2 GLN A 43 1.287 0.407 4.932 1.00 0.00 N ATOM 0 H GLN A 43 3.227 3.822 1.891 1.00 0.00 H new ATOM 0 HA GLN A 43 4.490 2.412 4.007 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.266 1.969 2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.315 1.139 1.507 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.706 -0.605 2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.260 -0.109 3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.726 0.068 4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.840 0.630 5.821 1.00 0.00 H new ATOM 621 N GLN A 44 5.874 2.177 1.012 1.00 0.00 N ATOM 622 CA GLN A 44 7.075 1.723 0.302 1.00 0.00 C ATOM 623 C GLN A 44 8.345 2.389 0.845 1.00 0.00 C ATOM 624 O GLN A 44 9.387 1.737 0.957 1.00 0.00 O ATOM 625 CB GLN A 44 6.946 1.972 -1.210 1.00 0.00 C ATOM 626 CG GLN A 44 6.746 3.466 -1.497 1.00 0.00 C ATOM 627 CD GLN A 44 6.645 3.701 -3.001 1.00 0.00 C ATOM 628 OE1 GLN A 44 7.647 3.981 -3.656 1.00 0.00 O ATOM 629 NE2 GLN A 44 5.483 3.608 -3.589 1.00 0.00 N ATOM 0 H GLN A 44 5.227 2.725 0.445 1.00 0.00 H new ATOM 0 HA GLN A 44 7.163 0.650 0.474 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.841 1.615 -1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.104 1.404 -1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.841 3.821 -1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.578 4.038 -1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.653 3.376 -3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.405 3.768 -4.593 1.00 0.00 H new ATOM 638 N ASN A 45 8.258 3.679 1.179 1.00 0.00 N ATOM 639 CA ASN A 45 9.417 4.402 1.706 1.00 0.00 C ATOM 640 C ASN A 45 9.685 4.013 3.159 1.00 0.00 C ATOM 641 O ASN A 45 10.833 3.762 3.538 1.00 0.00 O ATOM 642 CB ASN A 45 9.190 5.911 1.621 1.00 0.00 C ATOM 643 CG ASN A 45 10.524 6.637 1.772 1.00 0.00 C ATOM 644 OD1 ASN A 45 11.339 6.266 2.617 1.00 0.00 O ATOM 645 ND2 ASN A 45 10.802 7.647 0.995 1.00 0.00 N ATOM 0 H ASN A 45 7.409 4.238 1.095 1.00 0.00 H new ATOM 0 HA ASN A 45 10.282 4.132 1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.731 6.167 0.666 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.500 6.230 2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.695 8.130 1.087 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.126 7.953 0.295 1.00 0.00 H new ATOM 652 N SER A 46 8.622 3.966 3.966 1.00 0.00 N ATOM 653 CA SER A 46 8.752 3.607 5.380 1.00 0.00 C ATOM 654 C SER A 46 9.082 2.123 5.530 1.00 0.00 C ATOM 655 O SER A 46 10.090 1.766 6.144 1.00 0.00 O ATOM 656 CB SER A 46 7.455 3.924 6.131 1.00 0.00 C ATOM 657 OG SER A 46 7.593 3.535 7.491 1.00 0.00 O ATOM 0 H SER A 46 7.668 4.170 3.667 1.00 0.00 H new ATOM 0 HA SER A 46 9.565 4.194 5.806 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.235 4.990 6.066 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.618 3.397 5.673 1.00 0.00 H new ATOM 0 HG SER A 46 6.765 3.738 7.975 1.00 0.00 H new ATOM 663 N GLY A 47 8.227 1.265 4.966 1.00 0.00 N ATOM 664 CA GLY A 47 8.433 -0.181 5.040 1.00 0.00 C ATOM 665 C GLY A 47 7.520 -0.807 6.090 1.00 0.00 C ATOM 666 O GLY A 47 6.797 -1.763 5.802 1.00 0.00 O ATOM 0 H GLY A 47 7.390 1.547 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.237 -0.631 4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.474 -0.392 5.285 1.00 0.00 H new ATOM 670 N ARG A 48 7.560 -0.260 7.307 1.00 0.00 N ATOM 671 CA ARG A 48 6.733 -0.766 8.402 1.00 0.00 C ATOM 672 C ARG A 48 6.168 0.395 9.218 1.00 0.00 C ATOM 673 O ARG A 48 6.835 0.915 10.116 1.00 0.00 O ATOM 674 CB ARG A 48 7.569 -1.679 9.305 1.00 0.00 C ATOM 675 CG ARG A 48 7.993 -2.918 8.513 1.00 0.00 C ATOM 676 CD ARG A 48 8.756 -3.884 9.424 1.00 0.00 C ATOM 677 NE ARG A 48 9.089 -5.116 8.694 1.00 0.00 N ATOM 678 CZ ARG A 48 9.594 -6.209 9.294 1.00 0.00 C ATOM 679 NH1 ARG A 48 9.853 -6.241 10.582 1.00 0.00 N ATOM 680 NH2 ARG A 48 9.843 -7.268 8.572 1.00 0.00 N ATOM 0 H ARG A 48 8.154 0.530 7.557 1.00 0.00 H new ATOM 0 HA ARG A 48 5.904 -1.337 7.983 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.448 -1.146 9.668 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.991 -1.973 10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.115 -3.413 8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.621 -2.625 7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.668 -3.410 9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.152 -4.123 10.299 1.00 0.00 H new ATOM 0 HE ARG A 48 8.930 -5.143 7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.671 -5.420 11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 48 10.236 -7.087 11.004 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.655 -7.258 7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.226 -8.106 9.010 1.00 0.00 H new ATOM 694 N MET A 49 4.938 0.804 8.890 1.00 0.00 N ATOM 695 CA MET A 49 4.291 1.915 9.588 1.00 0.00 C ATOM 696 C MET A 49 3.629 1.449 10.884 1.00 0.00 C ATOM 697 O MET A 49 4.023 1.871 11.973 1.00 0.00 O ATOM 698 CB MET A 49 3.236 2.559 8.681 1.00 0.00 C ATOM 699 CG MET A 49 2.875 3.945 9.221 1.00 0.00 C ATOM 700 SD MET A 49 1.406 4.563 8.364 1.00 0.00 S ATOM 701 CE MET A 49 1.695 6.324 8.665 1.00 0.00 C ATOM 0 H MET A 49 4.375 0.384 8.150 1.00 0.00 H new ATOM 0 HA MET A 49 5.061 2.645 9.838 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.618 2.642 7.663 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.346 1.931 8.638 1.00 0.00 H new ATOM 0 HG2 MET A 49 2.688 3.892 10.293 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.709 4.632 9.077 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.892 6.907 8.214 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.720 6.510 9.739 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.648 6.617 8.224 1.00 0.00 H new ATOM 711 N SER A 50 2.618 0.586 10.757 1.00 0.00 N ATOM 712 CA SER A 50 1.901 0.078 11.923 1.00 0.00 C ATOM 713 C SER A 50 2.556 -1.202 12.456 1.00 0.00 C ATOM 714 O SER A 50 3.224 -1.909 11.699 1.00 0.00 O ATOM 715 CB SER A 50 0.446 -0.210 11.552 1.00 0.00 C ATOM 716 OG SER A 50 -0.179 0.998 11.139 1.00 0.00 O ATOM 0 H SER A 50 2.281 0.228 9.863 1.00 0.00 H new ATOM 0 HA SER A 50 1.939 0.838 12.704 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.402 -0.949 10.752 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.083 -0.633 12.406 1.00 0.00 H new ATOM 0 HG SER A 50 -1.112 0.818 10.898 1.00 0.00 H new ATOM 722 N PRO A 51 2.381 -1.521 13.733 1.00 0.00 N ATOM 723 CA PRO A 51 2.979 -2.750 14.337 1.00 0.00 C ATOM 724 C PRO A 51 2.243 -4.014 13.894 1.00 0.00 C ATOM 725 O PRO A 51 1.279 -3.941 13.131 1.00 0.00 O ATOM 726 CB PRO A 51 2.830 -2.526 15.843 1.00 0.00 C ATOM 727 CG PRO A 51 1.648 -1.630 15.990 1.00 0.00 C ATOM 728 CD PRO A 51 1.604 -0.757 14.737 1.00 0.00 C ATOM 0 HA PRO A 51 4.014 -2.900 14.030 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.677 -3.469 16.368 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.726 -2.069 16.264 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.731 -2.211 16.090 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.736 -1.017 16.887 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.580 -0.590 14.404 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.044 0.223 14.919 1.00 0.00 H new ATOM 736 N MET A 52 2.708 -5.168 14.378 1.00 0.00 N ATOM 737 CA MET A 52 2.091 -6.447 14.026 1.00 0.00 C ATOM 738 C MET A 52 2.050 -7.380 15.237 1.00 0.00 C ATOM 739 O MET A 52 2.618 -7.070 16.287 1.00 0.00 O ATOM 740 CB MET A 52 2.865 -7.115 12.876 1.00 0.00 C ATOM 741 CG MET A 52 4.353 -7.268 13.240 1.00 0.00 C ATOM 742 SD MET A 52 5.272 -5.780 12.760 1.00 0.00 S ATOM 743 CE MET A 52 5.888 -6.397 11.175 1.00 0.00 C ATOM 0 H MET A 52 3.505 -5.242 15.011 1.00 0.00 H new ATOM 0 HA MET A 52 1.069 -6.253 13.701 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.435 -8.093 12.662 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.767 -6.518 11.969 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.457 -7.439 14.312 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.770 -8.140 12.736 1.00 0.00 H new ATOM 0 HE1 MET A 52 6.340 -5.577 10.616 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.635 -7.171 11.351 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.061 -6.815 10.601 1.00 0.00 H new ATOM 753 N GLY A 53 1.372 -8.520 15.081 1.00 0.00 N ATOM 754 CA GLY A 53 1.258 -9.494 16.164 1.00 0.00 C ATOM 755 C GLY A 53 -0.100 -10.191 16.137 1.00 0.00 C ATOM 756 O GLY A 53 -0.172 -11.421 16.186 1.00 0.00 O ATOM 0 H GLY A 53 0.897 -8.788 14.219 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.052 -10.235 16.075 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.394 -8.994 17.123 1.00 0.00 H new ATOM 760 N THR A 54 -1.172 -9.398 16.060 1.00 0.00 N ATOM 761 CA THR A 54 -2.526 -9.949 16.028 1.00 0.00 C ATOM 762 C THR A 54 -3.433 -9.098 15.143 1.00 0.00 C ATOM 763 O THR A 54 -3.708 -7.939 15.460 1.00 0.00 O ATOM 764 CB THR A 54 -3.102 -10.002 17.446 1.00 0.00 C ATOM 765 OG1 THR A 54 -3.030 -8.710 18.031 1.00 0.00 O ATOM 766 CG2 THR A 54 -2.299 -10.992 18.292 1.00 0.00 C ATOM 0 H THR A 54 -1.128 -8.380 16.019 1.00 0.00 H new ATOM 0 HA THR A 54 -2.476 -10.957 15.616 1.00 0.00 H new ATOM 0 HB THR A 54 -4.142 -10.327 17.403 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.280 -8.035 17.366 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.712 -11.027 19.300 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.354 -11.983 17.842 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.258 -10.672 18.337 1.00 0.00 H new ATOM 774 N ALA A 55 -3.900 -9.685 14.036 1.00 0.00 N ATOM 775 CA ALA A 55 -4.783 -8.977 13.107 1.00 0.00 C ATOM 776 C ALA A 55 -6.168 -9.628 13.086 1.00 0.00 C ATOM 777 O ALA A 55 -6.462 -10.470 12.231 1.00 0.00 O ATOM 778 CB ALA A 55 -4.176 -8.988 11.699 1.00 0.00 C ATOM 0 H ALA A 55 -3.682 -10.643 13.764 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.889 -7.945 13.442 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.838 -8.460 11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.204 -8.494 11.718 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.053 -10.018 11.364 1.00 0.00 H new ATOM 784 N SER A 56 -7.015 -9.232 14.040 1.00 0.00 N ATOM 785 CA SER A 56 -8.368 -9.776 14.134 1.00 0.00 C ATOM 786 C SER A 56 -9.308 -8.762 14.780 1.00 0.00 C ATOM 787 O SER A 56 -10.382 -8.476 14.251 1.00 0.00 O ATOM 788 CB SER A 56 -8.359 -11.065 14.954 1.00 0.00 C ATOM 789 OG SER A 56 -7.842 -10.795 16.250 1.00 0.00 O ATOM 0 H SER A 56 -6.787 -8.540 14.754 1.00 0.00 H new ATOM 0 HA SER A 56 -8.723 -9.993 13.127 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.369 -11.468 15.030 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.750 -11.821 14.458 1.00 0.00 H new ATOM 0 HG SER A 56 -7.837 -11.620 16.779 1.00 0.00 H new ATOM 795 N GLY A 57 -8.890 -8.224 15.930 1.00 0.00 N ATOM 796 CA GLY A 57 -9.697 -7.239 16.648 1.00 0.00 C ATOM 797 C GLY A 57 -10.615 -7.916 17.663 1.00 0.00 C ATOM 798 O GLY A 57 -11.838 -7.788 17.585 1.00 0.00 O ATOM 0 H GLY A 57 -8.003 -8.453 16.379 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.044 -6.532 17.159 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.294 -6.666 15.938 1.00 0.00 H new ATOM 802 N SER A 58 -10.014 -8.637 18.613 1.00 0.00 N ATOM 803 CA SER A 58 -10.784 -9.333 19.644 1.00 0.00 C ATOM 804 C SER A 58 -11.140 -8.384 20.785 1.00 0.00 C ATOM 805 O SER A 58 -12.320 -8.150 21.061 1.00 0.00 O ATOM 806 CB SER A 58 -9.977 -10.510 20.194 1.00 0.00 C ATOM 807 OG SER A 58 -9.754 -11.453 19.154 1.00 0.00 O ATOM 0 H SER A 58 -9.003 -8.753 18.689 1.00 0.00 H new ATOM 0 HA SER A 58 -11.705 -9.701 19.192 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.025 -10.159 20.592 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.513 -10.980 21.018 1.00 0.00 H new ATOM 0 HG SER A 58 -9.235 -12.208 19.503 1.00 0.00 H new ATOM 813 N ASN A 59 -10.113 -7.844 21.447 1.00 0.00 N ATOM 814 CA ASN A 59 -10.324 -6.922 22.562 1.00 0.00 C ATOM 815 C ASN A 59 -10.630 -5.517 22.052 1.00 0.00 C ATOM 816 O ASN A 59 -9.773 -4.867 21.448 1.00 0.00 O ATOM 817 CB ASN A 59 -9.079 -6.887 23.450 1.00 0.00 C ATOM 818 CG ASN A 59 -8.929 -8.214 24.189 1.00 0.00 C ATOM 819 OD1 ASN A 59 -8.138 -9.066 23.782 1.00 0.00 O ATOM 820 ND2 ASN A 59 -9.645 -8.440 25.255 1.00 0.00 N ATOM 0 H ASN A 59 -9.134 -8.029 21.231 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.176 -7.274 23.143 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.194 -6.697 22.843 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -9.156 -6.069 24.166 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.551 -9.324 25.754 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.299 -7.732 25.589 1.00 0.00 H new ATOM 827 N SER A 60 -11.858 -5.053 22.303 1.00 0.00 N ATOM 828 CA SER A 60 -12.274 -3.721 21.870 1.00 0.00 C ATOM 829 C SER A 60 -11.728 -2.650 22.827 1.00 0.00 C ATOM 830 O SER A 60 -11.575 -2.918 24.021 1.00 0.00 O ATOM 831 CB SER A 60 -13.801 -3.640 21.828 1.00 0.00 C ATOM 832 OG SER A 60 -14.196 -2.653 20.885 1.00 0.00 O ATOM 0 H SER A 60 -12.576 -5.579 22.801 1.00 0.00 H new ATOM 0 HA SER A 60 -11.873 -3.540 20.873 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.220 -4.608 21.554 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.190 -3.392 22.815 1.00 0.00 H new ATOM 0 HG SER A 60 -14.427 -1.825 21.356 1.00 0.00 H new ATOM 838 N PRO A 61 -11.431 -1.451 22.341 1.00 0.00 N ATOM 839 CA PRO A 61 -10.896 -0.353 23.198 1.00 0.00 C ATOM 840 C PRO A 61 -11.999 0.348 23.991 1.00 0.00 C ATOM 841 O PRO A 61 -13.165 0.332 23.590 1.00 0.00 O ATOM 842 CB PRO A 61 -10.250 0.600 22.194 1.00 0.00 C ATOM 843 CG PRO A 61 -11.027 0.425 20.931 1.00 0.00 C ATOM 844 CD PRO A 61 -11.568 -1.006 20.934 1.00 0.00 C ATOM 0 HA PRO A 61 -10.200 -0.720 23.953 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.296 1.631 22.545 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.197 0.360 22.045 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.843 1.146 20.877 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.393 0.596 20.061 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.607 -1.038 20.607 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -11.001 -1.646 20.258 1.00 0.00 H new ATOM 852 N THR A 62 -11.619 0.957 25.116 1.00 0.00 N ATOM 853 CA THR A 62 -12.579 1.660 25.964 1.00 0.00 C ATOM 854 C THR A 62 -12.645 3.138 25.590 1.00 0.00 C ATOM 855 O THR A 62 -11.595 3.741 25.453 1.00 0.00 O ATOM 856 CB THR A 62 -12.174 1.520 27.433 1.00 0.00 C ATOM 857 OG1 THR A 62 -10.786 1.788 27.566 1.00 0.00 O ATOM 858 CG2 THR A 62 -12.469 0.097 27.909 1.00 0.00 C ATOM 859 OXT THR A 62 -13.747 3.643 25.446 1.00 0.00 O ATOM 0 H THR A 62 -10.658 0.977 25.458 1.00 0.00 H new ATOM 0 HA THR A 62 -13.563 1.216 25.813 1.00 0.00 H new ATOM 0 HB THR A 62 -12.740 2.228 28.038 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.523 2.480 26.924 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.181 -0.004 28.955 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.534 -0.108 27.805 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.902 -0.613 27.307 1.00 0.00 H new TER 867 THR A 62 HETATM 868 ZN ZN A 63 -10.428 7.040 -0.767 1.00 0.00 ZN