USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 421 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 Single : A 1 GLU N :NH3+ 170:sc= 0 (180deg=-0.0773) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.271 USER MOD Single : A 9 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.2!) USER MOD Single : A 10 GLN : amide:sc= -0.0381 K(o=-0.038,f=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -101:sc= -1.23 USER MOD Single : A 25 HIS : no HD1:sc= -9.3! C(o=-9.3!,f=-6.7!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.435 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -5.3! C(o=-5.3!,f=-14!) USER MOD Single : A 33 ASN : amide:sc=-0.00217 X(o=-0.0022,f=-0.017) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.694 K(o=-0.69,f=-0.089) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.034 -17.233 15.340 1.00 0.00 N ATOM 2 CA GLU A 1 0.675 -16.916 14.936 1.00 0.00 C ATOM 3 C GLU A 1 0.684 -16.069 13.662 1.00 0.00 C ATOM 4 O GLU A 1 -0.021 -15.065 13.575 1.00 0.00 O ATOM 5 CB GLU A 1 -0.081 -16.206 16.061 1.00 0.00 C ATOM 6 CG GLU A 1 -1.590 -16.413 15.924 1.00 0.00 C ATOM 7 CD GLU A 1 -2.163 -17.111 17.159 1.00 0.00 C ATOM 8 OE1 GLU A 1 -2.073 -16.503 18.247 1.00 0.00 O ATOM 9 OE2 GLU A 1 -2.677 -18.237 16.987 1.00 0.00 O ATOM 0 H1 GLU A 1 2.024 -17.659 16.289 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.450 -17.905 14.663 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.603 -16.363 15.358 1.00 0.00 H new ATOM 0 HA GLU A 1 0.153 -17.849 14.725 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.255 -16.585 17.026 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.147 -15.140 16.041 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -2.081 -15.450 15.786 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.800 -17.009 15.035 1.00 0.00 H new ATOM 16 N GLU A 2 1.490 -16.505 12.705 1.00 0.00 N ATOM 17 CA GLU A 2 1.601 -15.800 11.440 1.00 0.00 C ATOM 18 C GLU A 2 1.907 -14.320 11.682 1.00 0.00 C ATOM 19 O GLU A 2 2.028 -13.887 12.827 1.00 0.00 O ATOM 20 CB GLU A 2 0.329 -15.967 10.606 1.00 0.00 C ATOM 21 CG GLU A 2 0.494 -17.082 9.571 1.00 0.00 C ATOM 22 CD GLU A 2 -0.300 -16.773 8.301 1.00 0.00 C ATOM 23 OE1 GLU A 2 -1.356 -16.117 8.437 1.00 0.00 O ATOM 24 OE2 GLU A 2 0.166 -17.199 7.222 1.00 0.00 O ATOM 0 H GLU A 2 2.073 -17.339 12.781 1.00 0.00 H new ATOM 0 HA GLU A 2 2.426 -16.234 10.876 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.512 -16.195 11.261 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.095 -15.030 10.102 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.549 -17.201 9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.157 -18.028 9.994 1.00 0.00 H new ATOM 31 N TYR A 3 2.023 -13.586 10.586 1.00 0.00 N ATOM 32 CA TYR A 3 2.312 -12.164 10.664 1.00 0.00 C ATOM 33 C TYR A 3 1.032 -11.355 10.878 1.00 0.00 C ATOM 34 O TYR A 3 -0.041 -11.924 11.073 1.00 0.00 O ATOM 35 CB TYR A 3 2.923 -11.783 9.314 1.00 0.00 C ATOM 36 CG TYR A 3 3.981 -10.681 9.399 1.00 0.00 C ATOM 37 CD1 TYR A 3 5.149 -10.899 10.103 1.00 0.00 C ATOM 38 CD2 TYR A 3 3.769 -9.471 8.772 1.00 0.00 C ATOM 39 CE1 TYR A 3 6.145 -9.862 10.182 1.00 0.00 C ATOM 40 CE2 TYR A 3 4.766 -8.434 8.851 1.00 0.00 C ATOM 41 CZ TYR A 3 5.904 -8.681 9.553 1.00 0.00 C ATOM 42 OH TYR A 3 6.846 -7.702 9.628 1.00 0.00 O ATOM 0 H TYR A 3 1.922 -13.949 9.638 1.00 0.00 H new ATOM 0 HA TYR A 3 2.980 -11.954 11.499 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.372 -12.670 8.867 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.126 -11.457 8.645 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.315 -11.847 10.594 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.855 -9.301 8.222 1.00 0.00 H new ATOM 0 HE1 TYR A 3 7.063 -10.019 10.729 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.613 -7.482 8.364 1.00 0.00 H new ATOM 0 HH TYR A 3 6.540 -6.915 9.131 1.00 0.00 H new ATOM 52 N VAL A 4 1.187 -10.040 10.836 1.00 0.00 N ATOM 53 CA VAL A 4 0.056 -9.146 11.022 1.00 0.00 C ATOM 54 C VAL A 4 0.514 -7.701 10.818 1.00 0.00 C ATOM 55 O VAL A 4 1.405 -7.223 11.519 1.00 0.00 O ATOM 56 CB VAL A 4 -0.577 -9.384 12.395 1.00 0.00 C ATOM 57 CG1 VAL A 4 0.459 -9.234 13.510 1.00 0.00 C ATOM 58 CG2 VAL A 4 -1.765 -8.446 12.620 1.00 0.00 C ATOM 0 H VAL A 4 2.079 -9.572 10.676 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.717 -9.349 10.281 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.949 -10.408 12.420 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.017 -9.408 14.475 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.259 -9.960 13.364 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.875 -8.227 13.487 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.197 -8.635 13.603 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.427 -7.411 12.565 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.518 -8.622 11.852 1.00 0.00 H new ATOM 68 N GLY A 5 -0.114 -7.046 9.853 1.00 0.00 N ATOM 69 CA GLY A 5 0.218 -5.665 9.547 1.00 0.00 C ATOM 70 C GLY A 5 -0.586 -4.701 10.422 1.00 0.00 C ATOM 71 O GLY A 5 -1.759 -4.445 10.155 1.00 0.00 O ATOM 0 H GLY A 5 -0.851 -7.446 9.273 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.284 -5.500 9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.015 -5.463 8.495 1.00 0.00 H new ATOM 75 N LEU A 6 0.078 -4.192 11.450 1.00 0.00 N ATOM 76 CA LEU A 6 -0.560 -3.261 12.366 1.00 0.00 C ATOM 77 C LEU A 6 0.235 -1.955 12.395 1.00 0.00 C ATOM 78 O LEU A 6 0.269 -1.267 13.414 1.00 0.00 O ATOM 79 CB LEU A 6 -0.739 -3.903 13.743 1.00 0.00 C ATOM 80 CG LEU A 6 0.541 -4.388 14.428 1.00 0.00 C ATOM 81 CD1 LEU A 6 0.870 -3.525 15.648 1.00 0.00 C ATOM 82 CD2 LEU A 6 0.442 -5.872 14.786 1.00 0.00 C ATOM 0 H LEU A 6 1.051 -4.407 11.669 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.564 -3.015 12.021 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.227 -3.181 14.398 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.417 -4.751 13.642 1.00 0.00 H new ATOM 0 HG LEU A 6 1.367 -4.281 13.725 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.784 -3.891 16.117 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.012 -2.491 15.335 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.049 -3.578 16.363 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.364 -6.191 15.271 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.397 -6.028 15.464 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.289 -6.456 13.878 1.00 0.00 H new ATOM 94 N SER A 7 0.856 -1.652 11.264 1.00 0.00 N ATOM 95 CA SER A 7 1.649 -0.440 11.147 1.00 0.00 C ATOM 96 C SER A 7 2.407 -0.437 9.818 1.00 0.00 C ATOM 97 O SER A 7 2.212 -1.321 8.986 1.00 0.00 O ATOM 98 CB SER A 7 2.626 -0.306 12.316 1.00 0.00 C ATOM 99 OG SER A 7 3.048 -1.575 12.807 1.00 0.00 O ATOM 0 H SER A 7 0.826 -2.225 10.421 1.00 0.00 H new ATOM 0 HA SER A 7 0.973 0.415 11.174 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.497 0.267 11.997 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.153 0.255 13.122 1.00 0.00 H new ATOM 0 HG SER A 7 3.672 -1.447 13.552 1.00 0.00 H new ATOM 105 N ALA A 8 3.256 0.568 9.660 1.00 0.00 N ATOM 106 CA ALA A 8 4.044 0.698 8.447 1.00 0.00 C ATOM 107 C ALA A 8 4.540 -0.684 8.015 1.00 0.00 C ATOM 108 O ALA A 8 3.865 -1.381 7.260 1.00 0.00 O ATOM 109 CB ALA A 8 5.193 1.680 8.686 1.00 0.00 C ATOM 0 H ALA A 8 3.415 1.300 10.352 1.00 0.00 H new ATOM 0 HA ALA A 8 3.435 1.099 7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.784 1.777 7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.788 2.654 8.961 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.827 1.310 9.492 1.00 0.00 H new ATOM 115 N ASN A 9 5.715 -1.038 8.514 1.00 0.00 N ATOM 116 CA ASN A 9 6.309 -2.324 8.189 1.00 0.00 C ATOM 117 C ASN A 9 6.101 -2.616 6.702 1.00 0.00 C ATOM 118 O ASN A 9 6.903 -2.202 5.866 1.00 0.00 O ATOM 119 CB ASN A 9 5.652 -3.451 8.989 1.00 0.00 C ATOM 120 CG ASN A 9 6.327 -3.622 10.351 1.00 0.00 C ATOM 121 OD1 ASN A 9 7.415 -3.130 10.600 1.00 0.00 O ATOM 122 ND2 ASN A 9 5.621 -4.344 11.217 1.00 0.00 N ATOM 0 H ASN A 9 6.272 -0.457 9.141 1.00 0.00 H new ATOM 0 HA ASN A 9 7.370 -2.278 8.435 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.593 -3.233 9.129 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.714 -4.384 8.429 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.985 -4.514 12.155 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.716 -4.727 10.943 1.00 0.00 H new ATOM 129 N GLN A 10 5.020 -3.328 6.417 1.00 0.00 N ATOM 130 CA GLN A 10 4.697 -3.680 5.045 1.00 0.00 C ATOM 131 C GLN A 10 4.728 -2.435 4.156 1.00 0.00 C ATOM 132 O GLN A 10 5.224 -2.484 3.031 1.00 0.00 O ATOM 133 CB GLN A 10 3.338 -4.378 4.964 1.00 0.00 C ATOM 134 CG GLN A 10 3.019 -5.111 6.268 1.00 0.00 C ATOM 135 CD GLN A 10 2.033 -6.256 6.027 1.00 0.00 C ATOM 136 OE1 GLN A 10 1.501 -6.433 4.944 1.00 0.00 O ATOM 137 NE2 GLN A 10 1.821 -7.021 7.094 1.00 0.00 N ATOM 0 H GLN A 10 4.357 -3.670 7.113 1.00 0.00 H new ATOM 0 HA GLN A 10 5.450 -4.380 4.683 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.560 -3.644 4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.338 -5.086 4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.938 -5.504 6.703 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.599 -4.410 6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.300 -6.817 7.971 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.180 -7.812 7.035 1.00 0.00 H new ATOM 146 N CYS A 11 4.192 -1.349 4.693 1.00 0.00 N ATOM 147 CA CYS A 11 4.152 -0.094 3.963 1.00 0.00 C ATOM 148 C CYS A 11 5.226 0.831 4.538 1.00 0.00 C ATOM 149 O CYS A 11 4.993 2.026 4.712 1.00 0.00 O ATOM 150 CB CYS A 11 2.763 0.545 4.011 1.00 0.00 C ATOM 151 SG CYS A 11 1.403 -0.606 4.431 1.00 0.00 S ATOM 0 H CYS A 11 3.781 -1.313 5.626 1.00 0.00 H new ATOM 0 HA CYS A 11 4.359 -0.278 2.909 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.775 1.353 4.742 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.552 0.996 3.041 1.00 0.00 H new ATOM 156 N ALA A 12 6.380 0.243 4.819 1.00 0.00 N ATOM 157 CA ALA A 12 7.491 1.000 5.371 1.00 0.00 C ATOM 158 C ALA A 12 8.479 1.336 4.253 1.00 0.00 C ATOM 159 O ALA A 12 9.691 1.242 4.442 1.00 0.00 O ATOM 160 CB ALA A 12 8.140 0.201 6.503 1.00 0.00 C ATOM 0 H ALA A 12 6.570 -0.749 4.675 1.00 0.00 H new ATOM 0 HA ALA A 12 7.141 1.941 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.973 0.768 6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.404 0.014 7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.506 -0.749 6.114 1.00 0.00 H new ATOM 166 N VAL A 13 7.925 1.722 3.113 1.00 0.00 N ATOM 167 CA VAL A 13 8.743 2.074 1.964 1.00 0.00 C ATOM 168 C VAL A 13 8.946 3.590 1.933 1.00 0.00 C ATOM 169 O VAL A 13 8.106 4.343 2.423 1.00 0.00 O ATOM 170 CB VAL A 13 8.107 1.529 0.684 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.157 0.868 -0.211 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.970 0.557 1.006 1.00 0.00 C ATOM 0 H VAL A 13 6.919 1.799 2.960 1.00 0.00 H new ATOM 0 HA VAL A 13 9.729 1.616 2.042 1.00 0.00 H new ATOM 0 HB VAL A 13 7.682 2.371 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.679 0.489 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.917 1.601 -0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.625 0.043 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.536 0.185 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.360 -0.280 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.203 1.073 1.584 1.00 0.00 H new ATOM 182 N PRO A 14 10.097 4.003 1.337 1.00 0.00 N ATOM 183 CA PRO A 14 10.421 5.415 1.236 1.00 0.00 C ATOM 184 C PRO A 14 9.577 6.096 0.157 1.00 0.00 C ATOM 185 O PRO A 14 8.857 7.053 0.439 1.00 0.00 O ATOM 186 CB PRO A 14 11.911 5.456 0.937 1.00 0.00 C ATOM 187 CG PRO A 14 12.272 4.072 0.424 1.00 0.00 C ATOM 188 CD PRO A 14 11.115 3.140 0.746 1.00 0.00 C ATOM 0 HA PRO A 14 10.196 5.964 2.150 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.139 6.220 0.194 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.482 5.702 1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.453 4.098 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.190 3.718 0.894 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.743 2.646 -0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.420 2.355 1.439 1.00 0.00 H new ATOM 196 N ALA A 15 9.693 5.576 -1.056 1.00 0.00 N ATOM 197 CA ALA A 15 8.949 6.122 -2.179 1.00 0.00 C ATOM 198 C ALA A 15 9.617 5.689 -3.486 1.00 0.00 C ATOM 199 O ALA A 15 8.968 5.631 -4.529 1.00 0.00 O ATOM 200 CB ALA A 15 8.864 7.643 -2.044 1.00 0.00 C ATOM 0 H ALA A 15 10.291 4.782 -1.286 1.00 0.00 H new ATOM 0 HA ALA A 15 7.929 5.738 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.306 8.052 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.356 7.898 -1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.869 8.064 -2.036 1.00 0.00 H new ATOM 206 N LYS A 16 10.906 5.398 -3.387 1.00 0.00 N ATOM 207 CA LYS A 16 11.668 4.972 -4.548 1.00 0.00 C ATOM 208 C LYS A 16 11.657 3.445 -4.629 1.00 0.00 C ATOM 209 O LYS A 16 12.347 2.858 -5.461 1.00 0.00 O ATOM 210 CB LYS A 16 13.074 5.576 -4.516 1.00 0.00 C ATOM 211 CG LYS A 16 13.888 5.009 -3.351 1.00 0.00 C ATOM 212 CD LYS A 16 14.478 3.643 -3.708 1.00 0.00 C ATOM 213 CE LYS A 16 15.939 3.545 -3.265 1.00 0.00 C ATOM 214 NZ LYS A 16 16.162 2.308 -2.484 1.00 0.00 N ATOM 0 H LYS A 16 11.442 5.449 -2.520 1.00 0.00 H new ATOM 0 HA LYS A 16 11.206 5.343 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.585 5.368 -5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.006 6.660 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.691 5.700 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.253 4.916 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.896 2.855 -3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.409 3.483 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.591 3.553 -4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.202 4.415 -2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.159 2.257 -2.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.553 2.315 -1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.931 1.481 -3.070 1.00 0.00 H new ATOM 228 N ASP A 17 10.864 2.844 -3.754 1.00 0.00 N ATOM 229 CA ASP A 17 10.753 1.395 -3.716 1.00 0.00 C ATOM 230 C ASP A 17 9.284 0.996 -3.872 1.00 0.00 C ATOM 231 O ASP A 17 8.927 -0.163 -3.665 1.00 0.00 O ATOM 232 CB ASP A 17 11.255 0.839 -2.382 1.00 0.00 C ATOM 233 CG ASP A 17 12.585 0.087 -2.455 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.942 -0.328 -3.579 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.215 -0.058 -1.385 1.00 0.00 O ATOM 0 H ASP A 17 10.292 3.334 -3.066 1.00 0.00 H new ATOM 0 HA ASP A 17 11.358 0.989 -4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.360 1.664 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.497 0.168 -1.977 1.00 0.00 H new ATOM 240 N ARG A 18 8.472 1.979 -4.234 1.00 0.00 N ATOM 241 CA ARG A 18 7.050 1.745 -4.420 1.00 0.00 C ATOM 242 C ARG A 18 6.798 1.041 -5.755 1.00 0.00 C ATOM 243 O ARG A 18 7.083 1.594 -6.815 1.00 0.00 O ATOM 244 CB ARG A 18 6.267 3.059 -4.387 1.00 0.00 C ATOM 245 CG ARG A 18 6.791 3.982 -3.286 1.00 0.00 C ATOM 246 CD ARG A 18 6.583 3.360 -1.904 1.00 0.00 C ATOM 247 NE ARG A 18 6.823 4.373 -0.852 1.00 0.00 N ATOM 248 CZ ARG A 18 6.063 5.461 -0.669 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.009 5.684 -1.466 1.00 0.00 N ATOM 250 NH2 ARG A 18 6.356 6.326 0.312 1.00 0.00 N ATOM 0 H ARG A 18 8.772 2.939 -4.403 1.00 0.00 H new ATOM 0 HA ARG A 18 6.708 1.111 -3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.346 3.558 -5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.210 2.852 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.851 4.178 -3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.278 4.943 -3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.569 2.970 -1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.261 2.517 -1.770 1.00 0.00 H new ATOM 0 HE ARG A 18 7.617 4.234 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.785 5.025 -2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.430 6.512 -1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.158 6.156 0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.777 7.154 0.451 1.00 0.00 H new ATOM 264 N VAL A 19 6.265 -0.168 -5.658 1.00 0.00 N ATOM 265 CA VAL A 19 5.971 -0.953 -6.845 1.00 0.00 C ATOM 266 C VAL A 19 4.634 -0.499 -7.434 1.00 0.00 C ATOM 267 O VAL A 19 4.263 -0.910 -8.532 1.00 0.00 O ATOM 268 CB VAL A 19 5.999 -2.445 -6.506 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.790 -3.296 -7.760 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.301 -2.822 -5.797 1.00 0.00 C ATOM 0 H VAL A 19 6.029 -0.623 -4.776 1.00 0.00 H new ATOM 0 HA VAL A 19 6.733 -0.792 -7.607 1.00 0.00 H new ATOM 0 HB VAL A 19 5.175 -2.649 -5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.814 -4.352 -7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.824 -3.057 -8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.582 -3.086 -8.478 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.295 -3.888 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.147 -2.595 -6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.390 -2.252 -4.872 1.00 0.00 H new ATOM 280 N ASP A 20 3.947 0.345 -6.677 1.00 0.00 N ATOM 281 CA ASP A 20 2.660 0.860 -7.110 1.00 0.00 C ATOM 282 C ASP A 20 1.701 -0.309 -7.346 1.00 0.00 C ATOM 283 O ASP A 20 1.928 -1.135 -8.228 1.00 0.00 O ATOM 284 CB ASP A 20 2.790 1.636 -8.422 1.00 0.00 C ATOM 285 CG ASP A 20 1.472 1.890 -9.157 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.443 1.996 -8.456 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.524 1.971 -10.403 1.00 0.00 O ATOM 0 H ASP A 20 4.258 0.684 -5.767 1.00 0.00 H new ATOM 0 HA ASP A 20 2.285 1.526 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.263 2.596 -8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.459 1.088 -9.086 1.00 0.00 H new ATOM 292 N CYS A 21 0.648 -0.341 -6.541 1.00 0.00 N ATOM 293 CA CYS A 21 -0.346 -1.395 -6.651 1.00 0.00 C ATOM 294 C CYS A 21 -1.355 -0.993 -7.729 1.00 0.00 C ATOM 295 O CYS A 21 -2.052 -1.843 -8.279 1.00 0.00 O ATOM 296 CB CYS A 21 -1.025 -1.673 -5.309 1.00 0.00 C ATOM 297 SG CYS A 21 -1.337 -3.442 -4.959 1.00 0.00 S ATOM 0 H CYS A 21 0.462 0.346 -5.810 1.00 0.00 H new ATOM 0 HA CYS A 21 0.139 -2.328 -6.939 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.404 -1.263 -4.512 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.974 -1.138 -5.280 1.00 0.00 H new ATOM 302 N GLY A 22 -1.400 0.304 -7.998 1.00 0.00 N ATOM 303 CA GLY A 22 -2.312 0.829 -9.000 1.00 0.00 C ATOM 304 C GLY A 22 -3.767 0.662 -8.558 1.00 0.00 C ATOM 305 O GLY A 22 -4.375 -0.382 -8.792 1.00 0.00 O ATOM 0 H GLY A 22 -0.820 1.006 -7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.100 1.884 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.154 0.313 -9.947 1.00 0.00 H new ATOM 309 N TYR A 23 -4.284 1.706 -7.928 1.00 0.00 N ATOM 310 CA TYR A 23 -5.656 1.688 -7.451 1.00 0.00 C ATOM 311 C TYR A 23 -6.333 3.042 -7.678 1.00 0.00 C ATOM 312 O TYR A 23 -5.676 4.081 -7.650 1.00 0.00 O ATOM 313 CB TYR A 23 -5.577 1.417 -5.947 1.00 0.00 C ATOM 314 CG TYR A 23 -5.626 -0.067 -5.579 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.779 -0.794 -5.797 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.518 -0.678 -5.030 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.825 -2.191 -5.451 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.564 -2.075 -4.683 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.715 -2.763 -4.911 1.00 0.00 C ATOM 320 OH TYR A 23 -5.758 -4.082 -4.584 1.00 0.00 O ATOM 0 H TYR A 23 -3.777 2.570 -7.737 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.237 0.933 -7.982 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.654 1.847 -5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.401 1.931 -5.452 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.646 -0.315 -6.227 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.616 -0.109 -4.860 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.720 -2.772 -5.616 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.704 -2.565 -4.251 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.894 -4.175 -3.618 1.00 0.00 H new ATOM 330 N PRO A 24 -7.673 2.984 -7.904 1.00 0.00 N ATOM 331 CA PRO A 24 -8.446 4.192 -8.136 1.00 0.00 C ATOM 332 C PRO A 24 -8.664 4.962 -6.832 1.00 0.00 C ATOM 333 O PRO A 24 -8.025 5.986 -6.597 1.00 0.00 O ATOM 334 CB PRO A 24 -9.743 3.714 -8.767 1.00 0.00 C ATOM 335 CG PRO A 24 -9.845 2.233 -8.441 1.00 0.00 C ATOM 336 CD PRO A 24 -8.485 1.771 -7.944 1.00 0.00 C ATOM 0 HA PRO A 24 -7.936 4.898 -8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.597 4.261 -8.367 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.736 3.877 -9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.608 2.061 -7.682 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.141 1.667 -9.324 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.559 1.311 -6.958 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.052 1.026 -8.611 1.00 0.00 H new ATOM 344 N HIS A 25 -9.570 4.439 -6.017 1.00 0.00 N ATOM 345 CA HIS A 25 -9.880 5.065 -4.743 1.00 0.00 C ATOM 346 C HIS A 25 -8.946 4.518 -3.662 1.00 0.00 C ATOM 347 O HIS A 25 -9.300 3.581 -2.948 1.00 0.00 O ATOM 348 CB HIS A 25 -11.359 4.885 -4.396 1.00 0.00 C ATOM 349 CG HIS A 25 -11.743 3.463 -4.062 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.967 3.127 -3.509 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.054 2.296 -4.210 1.00 0.00 C ATOM 352 CE1 HIS A 25 -13.001 1.814 -3.335 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.814 1.301 -3.770 1.00 0.00 N ATOM 0 H HIS A 25 -10.099 3.589 -6.215 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.711 6.140 -4.810 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.603 5.525 -3.548 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.963 5.226 -5.237 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.058 2.198 -4.617 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.824 1.249 -2.922 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.554 0.315 -3.759 1.00 0.00 H new ATOM 362 N VAL A 26 -7.772 5.126 -3.576 1.00 0.00 N ATOM 363 CA VAL A 26 -6.785 4.711 -2.594 1.00 0.00 C ATOM 364 C VAL A 26 -6.898 5.603 -1.355 1.00 0.00 C ATOM 365 O VAL A 26 -7.032 6.820 -1.472 1.00 0.00 O ATOM 366 CB VAL A 26 -5.388 4.728 -3.217 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.267 3.676 -4.321 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.041 6.121 -3.746 1.00 0.00 C ATOM 0 H VAL A 26 -7.482 5.903 -4.170 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.972 3.686 -2.275 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.670 4.478 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.264 3.709 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.451 2.686 -3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.000 3.882 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.043 6.106 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.766 6.413 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.067 6.838 -2.926 1.00 0.00 H new ATOM 378 N THR A 27 -6.840 4.962 -0.197 1.00 0.00 N ATOM 379 CA THR A 27 -6.935 5.682 1.062 1.00 0.00 C ATOM 380 C THR A 27 -6.178 4.934 2.162 1.00 0.00 C ATOM 381 O THR A 27 -5.734 3.806 1.958 1.00 0.00 O ATOM 382 CB THR A 27 -8.417 5.890 1.378 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.805 4.685 2.032 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.285 5.926 0.118 1.00 0.00 C ATOM 0 H THR A 27 -6.728 3.952 -0.104 1.00 0.00 H new ATOM 0 HA THR A 27 -6.462 6.662 0.994 1.00 0.00 H new ATOM 0 HB THR A 27 -8.543 6.820 1.932 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.753 4.735 2.274 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.328 6.076 0.399 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.961 6.745 -0.524 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.186 4.983 -0.419 1.00 0.00 H new ATOM 392 N PRO A 28 -6.051 5.612 3.334 1.00 0.00 N ATOM 393 CA PRO A 28 -5.356 5.024 4.467 1.00 0.00 C ATOM 394 C PRO A 28 -6.214 3.950 5.139 1.00 0.00 C ATOM 395 O PRO A 28 -6.236 3.847 6.365 1.00 0.00 O ATOM 396 CB PRO A 28 -5.040 6.193 5.385 1.00 0.00 C ATOM 397 CG PRO A 28 -5.971 7.318 4.962 1.00 0.00 C ATOM 398 CD PRO A 28 -6.564 6.950 3.612 1.00 0.00 C ATOM 0 HA PRO A 28 -4.442 4.505 4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.201 5.924 6.429 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.996 6.493 5.290 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.761 7.458 5.700 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.426 8.260 4.896 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.654 6.958 3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.262 7.658 2.840 1.00 0.00 H new ATOM 406 N LYS A 29 -6.899 3.179 4.308 1.00 0.00 N ATOM 407 CA LYS A 29 -7.756 2.117 4.808 1.00 0.00 C ATOM 408 C LYS A 29 -8.366 1.361 3.625 1.00 0.00 C ATOM 409 O LYS A 29 -8.387 0.131 3.615 1.00 0.00 O ATOM 410 CB LYS A 29 -8.796 2.680 5.779 1.00 0.00 C ATOM 411 CG LYS A 29 -9.230 1.619 6.793 1.00 0.00 C ATOM 412 CD LYS A 29 -10.530 0.942 6.355 1.00 0.00 C ATOM 413 CE LYS A 29 -11.590 1.027 7.455 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.359 -0.235 7.532 1.00 0.00 N ATOM 0 H LYS A 29 -6.878 3.268 3.292 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.174 1.396 5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.381 3.541 6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.664 3.034 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.445 0.871 6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.367 2.080 7.771 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.904 1.417 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.336 -0.103 6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.112 1.228 8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.265 1.859 7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.074 -0.160 8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.830 -0.410 6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.714 -1.022 7.745 1.00 0.00 H new ATOM 428 N GLU A 30 -8.846 2.128 2.658 1.00 0.00 N ATOM 429 CA GLU A 30 -9.454 1.546 1.473 1.00 0.00 C ATOM 430 C GLU A 30 -8.381 0.925 0.577 1.00 0.00 C ATOM 431 O GLU A 30 -8.598 -0.130 -0.018 1.00 0.00 O ATOM 432 CB GLU A 30 -10.272 2.589 0.708 1.00 0.00 C ATOM 433 CG GLU A 30 -10.862 1.992 -0.571 1.00 0.00 C ATOM 434 CD GLU A 30 -12.353 2.313 -0.689 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.667 3.517 -0.811 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.146 1.347 -0.655 1.00 0.00 O ATOM 0 H GLU A 30 -8.826 3.148 2.670 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.137 0.757 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.075 2.964 1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.639 3.441 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.332 2.385 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.718 0.912 -0.572 1.00 0.00 H new ATOM 443 N CYS A 31 -7.247 1.606 0.507 1.00 0.00 N ATOM 444 CA CYS A 31 -6.140 1.135 -0.308 1.00 0.00 C ATOM 445 C CYS A 31 -5.486 -0.049 0.409 1.00 0.00 C ATOM 446 O CYS A 31 -4.905 -0.923 -0.232 1.00 0.00 O ATOM 447 CB CYS A 31 -5.135 2.251 -0.598 1.00 0.00 C ATOM 448 SG CYS A 31 -3.437 1.679 -0.969 1.00 0.00 S ATOM 0 H CYS A 31 -7.071 2.481 1.001 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.513 0.811 -1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.498 2.837 -1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.098 2.920 0.262 1.00 0.00 H new ATOM 453 N ASN A 32 -5.604 -0.039 1.728 1.00 0.00 N ATOM 454 CA ASN A 32 -5.032 -1.101 2.539 1.00 0.00 C ATOM 455 C ASN A 32 -6.094 -2.174 2.788 1.00 0.00 C ATOM 456 O ASN A 32 -5.823 -3.179 3.443 1.00 0.00 O ATOM 457 CB ASN A 32 -4.569 -0.569 3.897 1.00 0.00 C ATOM 458 CG ASN A 32 -3.873 0.785 3.747 1.00 0.00 C ATOM 459 OD1 ASN A 32 -4.443 1.756 3.276 1.00 0.00 O ATOM 460 ND2 ASN A 32 -2.613 0.796 4.172 1.00 0.00 N ATOM 0 H ASN A 32 -6.087 0.688 2.256 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.177 -1.512 2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.425 -0.470 4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.887 -1.283 4.358 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.063 1.653 4.114 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.197 -0.052 4.556 1.00 0.00 H new ATOM 467 N ASN A 33 -7.279 -1.924 2.253 1.00 0.00 N ATOM 468 CA ASN A 33 -8.383 -2.856 2.410 1.00 0.00 C ATOM 469 C ASN A 33 -8.543 -3.670 1.124 1.00 0.00 C ATOM 470 O ASN A 33 -8.774 -4.877 1.174 1.00 0.00 O ATOM 471 CB ASN A 33 -9.697 -2.116 2.668 1.00 0.00 C ATOM 472 CG ASN A 33 -10.883 -3.083 2.652 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.860 -4.144 3.254 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.917 -2.658 1.931 1.00 0.00 N ATOM 0 H ASN A 33 -7.500 -1.089 1.710 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.161 -3.502 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.650 -1.609 3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.840 -1.347 1.909 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.757 -3.231 1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.870 -1.759 1.452 1.00 0.00 H new ATOM 481 N ARG A 34 -8.415 -2.976 0.002 1.00 0.00 N ATOM 482 CA ARG A 34 -8.543 -3.619 -1.294 1.00 0.00 C ATOM 483 C ARG A 34 -7.551 -4.778 -1.412 1.00 0.00 C ATOM 484 O ARG A 34 -7.808 -5.750 -2.121 1.00 0.00 O ATOM 485 CB ARG A 34 -8.292 -2.625 -2.430 1.00 0.00 C ATOM 486 CG ARG A 34 -9.221 -2.899 -3.614 1.00 0.00 C ATOM 487 CD ARG A 34 -8.948 -4.279 -4.216 1.00 0.00 C ATOM 488 NE ARG A 34 -9.458 -4.335 -5.605 1.00 0.00 N ATOM 489 CZ ARG A 34 -9.032 -5.209 -6.527 1.00 0.00 C ATOM 490 NH1 ARG A 34 -8.086 -6.106 -6.214 1.00 0.00 N ATOM 491 NH2 ARG A 34 -9.551 -5.187 -7.762 1.00 0.00 N ATOM 0 H ARG A 34 -8.224 -1.975 -0.036 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.562 -3.998 -1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.447 -1.608 -2.069 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.254 -2.693 -2.755 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.259 -2.839 -3.288 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.082 -2.132 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.878 -4.485 -4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.427 -5.050 -3.612 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.179 -3.666 -5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.691 -6.123 -5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.762 -6.771 -6.916 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.271 -4.505 -8.001 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.226 -5.852 -8.464 1.00 0.00 H new ATOM 505 N GLY A 35 -6.439 -4.638 -0.706 1.00 0.00 N ATOM 506 CA GLY A 35 -5.408 -5.661 -0.722 1.00 0.00 C ATOM 507 C GLY A 35 -4.067 -5.081 -1.179 1.00 0.00 C ATOM 508 O GLY A 35 -3.640 -5.313 -2.309 1.00 0.00 O ATOM 0 H GLY A 35 -6.229 -3.831 -0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.302 -6.091 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.704 -6.471 -1.389 1.00 0.00 H new ATOM 512 N CYS A 36 -3.442 -4.338 -0.278 1.00 0.00 N ATOM 513 CA CYS A 36 -2.160 -3.723 -0.575 1.00 0.00 C ATOM 514 C CYS A 36 -1.827 -2.739 0.549 1.00 0.00 C ATOM 515 O CYS A 36 -2.366 -2.843 1.649 1.00 0.00 O ATOM 516 CB CYS A 36 -2.161 -3.045 -1.946 1.00 0.00 C ATOM 517 SG CYS A 36 -0.861 -3.630 -3.093 1.00 0.00 S ATOM 0 H CYS A 36 -3.800 -4.148 0.658 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.388 -4.491 -0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.134 -3.201 -2.412 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.044 -1.971 -1.804 1.00 0.00 H new ATOM 522 N CYS A 37 -0.941 -1.807 0.232 1.00 0.00 N ATOM 523 CA CYS A 37 -0.530 -0.805 1.201 1.00 0.00 C ATOM 524 C CYS A 37 -0.876 0.576 0.641 1.00 0.00 C ATOM 525 O CYS A 37 -0.933 0.760 -0.574 1.00 0.00 O ATOM 526 CB CYS A 37 0.956 -0.926 1.545 1.00 0.00 C ATOM 527 SG CYS A 37 1.332 -2.043 2.945 1.00 0.00 S ATOM 0 H CYS A 37 -0.496 -1.724 -0.682 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.066 -0.960 2.137 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.491 -1.279 0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.343 0.066 1.776 1.00 0.00 H new ATOM 532 N PHE A 38 -1.097 1.511 1.553 1.00 0.00 N ATOM 533 CA PHE A 38 -1.435 2.870 1.165 1.00 0.00 C ATOM 534 C PHE A 38 -0.372 3.859 1.647 1.00 0.00 C ATOM 535 O PHE A 38 0.544 3.484 2.377 1.00 0.00 O ATOM 536 CB PHE A 38 -2.769 3.207 1.833 1.00 0.00 C ATOM 537 CG PHE A 38 -3.199 4.666 1.665 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.786 5.073 0.508 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.993 5.556 2.673 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.184 6.427 0.352 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.392 6.910 2.517 1.00 0.00 C ATOM 542 CZ PHE A 38 -3.979 7.317 1.359 1.00 0.00 C ATOM 0 H PHE A 38 -1.049 1.354 2.560 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.494 2.943 0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.544 2.561 1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.698 2.980 2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.949 4.366 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.526 5.233 3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.650 6.750 -0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.229 7.617 3.317 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.282 8.347 1.240 1.00 0.00 H new ATOM 552 N ASP A 39 -0.530 5.103 1.219 1.00 0.00 N ATOM 553 CA ASP A 39 0.405 6.149 1.598 1.00 0.00 C ATOM 554 C ASP A 39 -0.013 7.464 0.939 1.00 0.00 C ATOM 555 O ASP A 39 -0.467 7.473 -0.205 1.00 0.00 O ATOM 556 CB ASP A 39 1.823 5.815 1.131 1.00 0.00 C ATOM 557 CG ASP A 39 2.881 6.868 1.471 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.460 6.754 2.573 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.085 7.762 0.623 1.00 0.00 O ATOM 0 H ASP A 39 -1.291 5.410 0.614 1.00 0.00 H new ATOM 0 HA ASP A 39 0.394 6.234 2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.121 4.865 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.809 5.671 0.051 1.00 0.00 H new ATOM 564 N SER A 40 0.155 8.544 1.688 1.00 0.00 N ATOM 565 CA SER A 40 -0.200 9.863 1.190 1.00 0.00 C ATOM 566 C SER A 40 0.908 10.864 1.526 1.00 0.00 C ATOM 567 O SER A 40 0.686 12.073 1.494 1.00 0.00 O ATOM 568 CB SER A 40 -1.534 10.331 1.774 1.00 0.00 C ATOM 569 OG SER A 40 -1.462 10.522 3.184 1.00 0.00 O ATOM 0 H SER A 40 0.532 8.533 2.636 1.00 0.00 H new ATOM 0 HA SER A 40 -0.310 9.802 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.831 11.265 1.296 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.307 9.597 1.547 1.00 0.00 H new ATOM 0 HG SER A 40 -2.333 10.822 3.518 1.00 0.00 H new ATOM 575 N ARG A 41 2.076 10.322 1.839 1.00 0.00 N ATOM 576 CA ARG A 41 3.218 11.153 2.180 1.00 0.00 C ATOM 577 C ARG A 41 3.574 12.072 1.009 1.00 0.00 C ATOM 578 O ARG A 41 3.859 13.252 1.207 1.00 0.00 O ATOM 579 CB ARG A 41 4.435 10.297 2.536 1.00 0.00 C ATOM 580 CG ARG A 41 5.241 10.935 3.669 1.00 0.00 C ATOM 581 CD ARG A 41 6.335 9.987 4.164 1.00 0.00 C ATOM 582 NE ARG A 41 6.932 10.511 5.413 1.00 0.00 N ATOM 583 CZ ARG A 41 7.862 11.475 5.455 1.00 0.00 C ATOM 584 NH1 ARG A 41 8.307 12.025 4.317 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.346 11.888 6.634 1.00 0.00 N ATOM 0 H ARG A 41 2.256 9.318 1.864 1.00 0.00 H new ATOM 0 HA ARG A 41 2.944 11.754 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.109 9.300 2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.069 10.176 1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.691 11.865 3.321 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.576 11.191 4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.917 8.996 4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.106 9.878 3.401 1.00 0.00 H new ATOM 0 HE ARG A 41 6.616 10.113 6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.938 11.710 3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.015 12.759 4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.007 11.469 7.500 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.054 12.622 6.666 1.00 0.00 H new ATOM 599 N ILE A 42 3.546 11.496 -0.184 1.00 0.00 N ATOM 600 CA ILE A 42 3.863 12.249 -1.386 1.00 0.00 C ATOM 601 C ILE A 42 3.095 11.657 -2.569 1.00 0.00 C ATOM 602 O ILE A 42 3.066 10.441 -2.750 1.00 0.00 O ATOM 603 CB ILE A 42 5.376 12.304 -1.600 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.071 11.128 -0.911 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.946 13.650 -1.149 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.571 9.793 -1.467 1.00 0.00 C ATOM 0 H ILE A 42 3.309 10.517 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 42 3.542 13.286 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 42 5.572 12.213 -2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.149 11.204 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.887 11.171 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.024 13.662 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.483 14.452 -1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.738 13.796 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.081 8.974 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.497 9.709 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.778 9.743 -2.536 1.00 0.00 H new ATOM 618 N PRO A 43 2.475 12.569 -3.366 1.00 0.00 N ATOM 619 CA PRO A 43 1.709 12.149 -4.527 1.00 0.00 C ATOM 620 C PRO A 43 2.634 11.728 -5.671 1.00 0.00 C ATOM 621 O PRO A 43 2.282 10.863 -6.471 1.00 0.00 O ATOM 622 CB PRO A 43 0.839 13.346 -4.877 1.00 0.00 C ATOM 623 CG PRO A 43 1.481 14.542 -4.194 1.00 0.00 C ATOM 624 CD PRO A 43 2.487 14.017 -3.182 1.00 0.00 C ATOM 0 HA PRO A 43 1.095 11.270 -4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.791 13.492 -5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.184 13.200 -4.529 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.975 15.180 -4.927 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.724 15.151 -3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.480 14.431 -3.359 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.205 14.289 -2.165 1.00 0.00 H new ATOM 632 N GLY A 44 3.798 12.358 -5.711 1.00 0.00 N ATOM 633 CA GLY A 44 4.776 12.059 -6.743 1.00 0.00 C ATOM 634 C GLY A 44 4.959 10.549 -6.905 1.00 0.00 C ATOM 635 O GLY A 44 5.285 10.072 -7.990 1.00 0.00 O ATOM 0 H GLY A 44 4.086 13.075 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.455 12.494 -7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.731 12.519 -6.488 1.00 0.00 H new ATOM 639 N VAL A 45 4.740 9.838 -5.808 1.00 0.00 N ATOM 640 CA VAL A 45 4.877 8.392 -5.814 1.00 0.00 C ATOM 641 C VAL A 45 3.487 7.753 -5.791 1.00 0.00 C ATOM 642 O VAL A 45 2.485 8.443 -5.611 1.00 0.00 O ATOM 643 CB VAL A 45 5.759 7.945 -4.647 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.748 9.045 -4.255 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.910 7.518 -3.448 1.00 0.00 C ATOM 0 H VAL A 45 4.469 10.237 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 45 5.374 8.059 -6.725 1.00 0.00 H new ATOM 0 HB VAL A 45 6.333 7.079 -4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.363 8.702 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.387 9.280 -5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.199 9.938 -3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.563 7.205 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.296 8.357 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.265 6.687 -3.736 1.00 0.00 H new ATOM 655 N PRO A 46 3.470 6.406 -5.980 1.00 0.00 N ATOM 656 CA PRO A 46 2.220 5.666 -5.983 1.00 0.00 C ATOM 657 C PRO A 46 1.673 5.508 -4.563 1.00 0.00 C ATOM 658 O PRO A 46 1.971 4.525 -3.885 1.00 0.00 O ATOM 659 CB PRO A 46 2.550 4.338 -6.644 1.00 0.00 C ATOM 660 CG PRO A 46 4.062 4.198 -6.566 1.00 0.00 C ATOM 661 CD PRO A 46 4.637 5.555 -6.196 1.00 0.00 C ATOM 0 HA PRO A 46 1.428 6.180 -6.528 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.054 3.513 -6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.209 4.322 -7.679 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.338 3.451 -5.822 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.464 3.861 -7.521 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.253 5.493 -5.299 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.271 5.947 -6.992 1.00 0.00 H new ATOM 669 N TRP A 47 0.883 6.490 -4.154 1.00 0.00 N ATOM 670 CA TRP A 47 0.292 6.472 -2.827 1.00 0.00 C ATOM 671 C TRP A 47 0.082 5.011 -2.423 1.00 0.00 C ATOM 672 O TRP A 47 0.565 4.576 -1.379 1.00 0.00 O ATOM 673 CB TRP A 47 -0.998 7.293 -2.790 1.00 0.00 C ATOM 674 CG TRP A 47 -0.784 8.773 -2.465 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.296 9.525 -2.716 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.723 9.654 -1.813 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.122 10.822 -2.276 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.144 10.903 -1.709 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.019 9.405 -1.327 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.787 12.000 -1.124 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.648 10.512 -0.744 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.079 11.775 -0.632 1.00 0.00 C ATOM 0 H TRP A 47 0.638 7.303 -4.719 1.00 0.00 H new ATOM 0 HA TRP A 47 0.957 6.942 -2.102 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.496 7.212 -3.756 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.670 6.862 -2.048 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.190 9.162 -3.201 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.799 11.581 -2.353 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.492 8.437 -1.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.313 12.968 -1.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.646 10.375 -0.354 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.630 12.579 -0.168 1.00 0.00 H new ATOM 693 N CYS A 48 -0.640 4.293 -3.271 1.00 0.00 N ATOM 694 CA CYS A 48 -0.920 2.891 -3.015 1.00 0.00 C ATOM 695 C CYS A 48 0.163 2.052 -3.697 1.00 0.00 C ATOM 696 O CYS A 48 0.255 2.031 -4.924 1.00 0.00 O ATOM 697 CB CYS A 48 -2.323 2.499 -3.482 1.00 0.00 C ATOM 698 SG CYS A 48 -3.034 1.039 -2.638 1.00 0.00 S ATOM 0 H CYS A 48 -1.039 4.657 -4.136 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.901 2.705 -1.941 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.990 3.348 -3.333 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.292 2.302 -4.554 1.00 0.00 H new ATOM 703 N PHE A 49 0.955 1.383 -2.873 1.00 0.00 N ATOM 704 CA PHE A 49 2.028 0.545 -3.382 1.00 0.00 C ATOM 705 C PHE A 49 2.063 -0.802 -2.657 1.00 0.00 C ATOM 706 O PHE A 49 1.449 -0.959 -1.602 1.00 0.00 O ATOM 707 CB PHE A 49 3.339 1.288 -3.117 1.00 0.00 C ATOM 708 CG PHE A 49 3.456 1.859 -1.702 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.592 1.022 -0.639 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.423 3.205 -1.508 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.700 1.553 0.673 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.531 3.736 -0.195 1.00 0.00 C ATOM 713 CZ PHE A 49 3.667 2.898 0.868 1.00 0.00 C ATOM 0 H PHE A 49 0.876 1.404 -1.856 1.00 0.00 H new ATOM 0 HA PHE A 49 1.877 0.351 -4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.172 0.608 -3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.435 2.102 -3.835 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.618 -0.047 -0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.315 3.870 -2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.808 0.888 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.505 4.805 -0.041 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.749 3.301 1.867 1.00 0.00 H new ATOM 723 N LYS A 50 2.787 -1.739 -3.251 1.00 0.00 N ATOM 724 CA LYS A 50 2.910 -3.067 -2.675 1.00 0.00 C ATOM 725 C LYS A 50 3.665 -2.975 -1.347 1.00 0.00 C ATOM 726 O LYS A 50 4.346 -1.985 -1.084 1.00 0.00 O ATOM 727 CB LYS A 50 3.547 -4.030 -3.679 1.00 0.00 C ATOM 728 CG LYS A 50 2.616 -4.279 -4.867 1.00 0.00 C ATOM 729 CD LYS A 50 2.691 -5.736 -5.327 1.00 0.00 C ATOM 730 CE LYS A 50 2.919 -5.823 -6.837 1.00 0.00 C ATOM 731 NZ LYS A 50 1.947 -6.752 -7.455 1.00 0.00 N ATOM 0 H LYS A 50 3.295 -1.605 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 50 1.925 -3.479 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.492 -3.619 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.775 -4.975 -3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.591 -4.034 -4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.888 -3.619 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.500 -6.245 -4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.767 -6.252 -5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.820 -4.834 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.935 -6.163 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.116 -6.799 -8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.061 -7.699 -7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.980 -6.411 -7.279 1.00 0.00 H new ATOM 745 N PRO A 51 3.514 -4.047 -0.524 1.00 0.00 N ATOM 746 CA PRO A 51 4.173 -4.096 0.769 1.00 0.00 C ATOM 747 C PRO A 51 5.668 -4.383 0.613 1.00 0.00 C ATOM 748 O PRO A 51 6.051 -5.382 0.006 1.00 0.00 O ATOM 749 CB PRO A 51 3.438 -5.178 1.544 1.00 0.00 C ATOM 750 CG PRO A 51 2.706 -6.011 0.505 1.00 0.00 C ATOM 751 CD PRO A 51 2.714 -5.237 -0.803 1.00 0.00 C ATOM 0 HA PRO A 51 4.129 -3.145 1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.135 -5.791 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.739 -4.741 2.257 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.193 -6.978 0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.683 -6.208 0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.149 -5.827 -1.610 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.703 -4.971 -1.112 1.00 0.00 H new ATOM 759 N LEU A 52 6.471 -3.489 1.171 1.00 0.00 N ATOM 760 CA LEU A 52 7.915 -3.634 1.101 1.00 0.00 C ATOM 761 C LEU A 52 8.278 -5.119 1.170 1.00 0.00 C ATOM 762 O LEU A 52 7.756 -5.851 2.010 1.00 0.00 O ATOM 763 CB LEU A 52 8.592 -2.784 2.178 1.00 0.00 C ATOM 764 CG LEU A 52 10.047 -3.135 2.493 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.716 -2.023 3.304 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.145 -4.492 3.192 1.00 0.00 C ATOM 0 H LEU A 52 6.149 -2.662 1.673 1.00 0.00 H new ATOM 0 HA LEU A 52 8.290 -3.258 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.550 -1.740 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.012 -2.868 3.097 1.00 0.00 H new ATOM 0 HG LEU A 52 10.590 -3.218 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.750 -2.298 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.696 -1.094 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.179 -1.884 4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.190 -4.717 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.583 -4.462 4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.732 -5.265 2.545 1.00 0.00 H new ATOM 778 N GLN A 53 9.172 -5.519 0.278 1.00 0.00 N ATOM 779 CA GLN A 53 9.611 -6.903 0.228 1.00 0.00 C ATOM 780 C GLN A 53 10.286 -7.294 1.544 1.00 0.00 C ATOM 781 O GLN A 53 11.512 -7.310 1.637 1.00 0.00 O ATOM 782 CB GLN A 53 10.548 -7.139 -0.959 1.00 0.00 C ATOM 783 CG GLN A 53 11.740 -6.181 -0.915 1.00 0.00 C ATOM 784 CD GLN A 53 11.618 -5.102 -1.994 1.00 0.00 C ATOM 785 OE1 GLN A 53 11.793 -5.348 -3.176 1.00 0.00 O ATOM 786 NE2 GLN A 53 11.308 -3.898 -1.522 1.00 0.00 N ATOM 0 H GLN A 53 9.604 -4.909 -0.416 1.00 0.00 H new ATOM 0 HA GLN A 53 8.735 -7.536 0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.904 -8.169 -0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.001 -7.002 -1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.798 -5.713 0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.665 -6.739 -1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.175 -3.762 -0.520 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.203 -3.111 -2.162 1.00 0.00 H new ATOM 795 N GLU A 54 9.455 -7.600 2.530 1.00 0.00 N ATOM 796 CA GLU A 54 9.955 -7.989 3.837 1.00 0.00 C ATOM 797 C GLU A 54 11.051 -9.048 3.692 1.00 0.00 C ATOM 798 O GLU A 54 10.798 -10.143 3.194 1.00 0.00 O ATOM 799 CB GLU A 54 8.821 -8.494 4.731 1.00 0.00 C ATOM 800 CG GLU A 54 8.557 -9.982 4.494 1.00 0.00 C ATOM 801 CD GLU A 54 7.196 -10.395 5.059 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.193 -10.163 4.350 1.00 0.00 O ATOM 803 OE2 GLU A 54 7.190 -10.933 6.188 1.00 0.00 O ATOM 0 H GLU A 54 8.438 -7.586 2.449 1.00 0.00 H new ATOM 0 HA GLU A 54 10.386 -7.110 4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.077 -8.329 5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.914 -7.924 4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.591 -10.195 3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.344 -10.574 4.962 1.00 0.00 H new ATOM 810 N ALA A 55 12.245 -8.682 4.136 1.00 0.00 N ATOM 811 CA ALA A 55 13.379 -9.587 4.062 1.00 0.00 C ATOM 812 C ALA A 55 14.321 -9.313 5.237 1.00 0.00 C ATOM 813 O ALA A 55 15.388 -8.728 5.059 1.00 0.00 O ATOM 814 CB ALA A 55 14.074 -9.425 2.709 1.00 0.00 C ATOM 0 H ALA A 55 12.451 -7.772 4.548 1.00 0.00 H new ATOM 0 HA ALA A 55 13.049 -10.623 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.925 -10.104 2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.371 -9.658 1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.422 -8.398 2.599 1.00 0.00 H new ATOM 820 N GLU A 56 13.892 -9.750 6.412 1.00 0.00 N ATOM 821 CA GLU A 56 14.684 -9.560 7.616 1.00 0.00 C ATOM 822 C GLU A 56 14.732 -10.855 8.429 1.00 0.00 C ATOM 823 O GLU A 56 13.692 -11.422 8.762 1.00 0.00 O ATOM 824 CB GLU A 56 14.136 -8.405 8.455 1.00 0.00 C ATOM 825 CG GLU A 56 14.666 -7.061 7.952 1.00 0.00 C ATOM 826 CD GLU A 56 13.518 -6.091 7.665 1.00 0.00 C ATOM 827 OE1 GLU A 56 12.636 -6.475 6.867 1.00 0.00 O ATOM 828 OE2 GLU A 56 13.548 -4.987 8.251 1.00 0.00 O ATOM 0 H GLU A 56 13.006 -10.235 6.556 1.00 0.00 H new ATOM 0 HA GLU A 56 15.701 -9.301 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.047 -8.408 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.418 -8.543 9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.335 -6.628 8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.253 -7.214 7.046 1.00 0.00 H new ATOM 835 N CYS A 57 15.950 -11.285 8.726 1.00 0.00 N ATOM 836 CA CYS A 57 16.147 -12.502 9.495 1.00 0.00 C ATOM 837 C CYS A 57 17.168 -12.214 10.597 1.00 0.00 C ATOM 838 O CYS A 57 18.334 -11.947 10.314 1.00 0.00 O ATOM 839 CB CYS A 57 16.582 -13.669 8.605 1.00 0.00 C ATOM 840 SG CYS A 57 17.875 -13.257 7.378 1.00 0.00 S ATOM 0 H CYS A 57 16.810 -10.812 8.448 1.00 0.00 H new ATOM 0 HA CYS A 57 15.203 -12.807 9.946 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.948 -14.476 9.240 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.708 -14.050 8.077 1.00 0.00 H new ATOM 0 HG CYS A 57 18.167 -14.316 6.683 1.00 0.00 H new ATOM 845 N THR A 58 16.691 -12.278 11.832 1.00 0.00 N ATOM 846 CA THR A 58 17.548 -12.028 12.979 1.00 0.00 C ATOM 847 C THR A 58 17.747 -13.312 13.787 1.00 0.00 C ATOM 848 O THR A 58 18.832 -13.558 14.311 1.00 0.00 O ATOM 849 CB THR A 58 16.929 -10.888 13.791 1.00 0.00 C ATOM 850 OG1 THR A 58 17.896 -10.617 14.802 1.00 0.00 O ATOM 851 CG2 THR A 58 15.689 -11.331 14.571 1.00 0.00 C ATOM 0 H THR A 58 15.723 -12.499 12.063 1.00 0.00 H new ATOM 0 HA THR A 58 18.546 -11.720 12.668 1.00 0.00 H new ATOM 0 HB THR A 58 16.664 -10.069 13.123 1.00 0.00 H new ATOM 0 HG1 THR A 58 17.576 -9.888 15.374 1.00 0.00 H new ATOM 0 HG21 THR A 58 15.289 -10.485 15.130 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.933 -11.697 13.876 1.00 0.00 H new ATOM 0 HG23 THR A 58 15.960 -12.128 15.264 1.00 0.00 H new ATOM 859 N PHE A 59 16.681 -14.096 13.862 1.00 0.00 N ATOM 860 CA PHE A 59 16.725 -15.349 14.598 1.00 0.00 C ATOM 861 C PHE A 59 17.847 -16.250 14.079 1.00 0.00 C ATOM 862 O PHE A 59 17.950 -16.489 12.876 1.00 0.00 O ATOM 863 CB PHE A 59 15.382 -16.046 14.374 1.00 0.00 C ATOM 864 CG PHE A 59 15.286 -17.431 15.016 1.00 0.00 C ATOM 865 CD1 PHE A 59 15.760 -18.521 14.355 1.00 0.00 C ATOM 866 CD2 PHE A 59 14.725 -17.573 16.247 1.00 0.00 C ATOM 867 CE1 PHE A 59 15.671 -19.807 14.951 1.00 0.00 C ATOM 868 CE2 PHE A 59 14.636 -18.859 16.842 1.00 0.00 C ATOM 869 CZ PHE A 59 15.110 -19.949 16.182 1.00 0.00 C ATOM 0 H PHE A 59 15.783 -13.888 13.426 1.00 0.00 H new ATOM 0 HA PHE A 59 16.911 -15.154 15.654 1.00 0.00 H new ATOM 0 HB2 PHE A 59 14.586 -15.416 14.772 1.00 0.00 H new ATOM 0 HB3 PHE A 59 15.208 -16.141 13.302 1.00 0.00 H new ATOM 0 HD1 PHE A 59 16.204 -18.409 13.377 1.00 0.00 H new ATOM 0 HD2 PHE A 59 14.347 -16.708 16.772 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.049 -20.672 14.427 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.191 -18.971 17.820 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.041 -20.927 16.635 1.00 0.00 H new TER 879 PHE A 59