USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 451 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 37 CYS SG : rot -110:sc= -0.856 USER MOD Set 1.2: A 39 HIS : no HE2:sc= -1.81 K(o=-3.3,f=-3.9) USER MOD Set 1.3: A 62 CYS SG : rot 151:sc= 0.501 USER MOD Set 1.4: A 65 CYS SG : rot -47:sc= -1.12 USER MOD Set 2.1: A 22 CYS SG : rot 70:sc= 1.39 USER MOD Set 2.2: A 25 CYS SG : rot -65:sc= -0.553 USER MOD Set 2.3: A 42 CYS SG : rot 76:sc= 1.16 USER MOD Set 2.4: A 45 CYS SG : rot 129:sc= -0.892 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00311 USER MOD Single : A 6 SER OG : rot 32:sc= 0.0398 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 29:sc= 0.346 USER MOD Single : A 11 SER OG : rot 43:sc= 0.711 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 32:sc= 0.292 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0588 K(o=-0.059,f=-1.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 24.461 7.145 -21.027 1.00 0.00 N ATOM 31 CA GLY A 4 23.571 6.380 -20.174 1.00 0.00 C ATOM 32 C GLY A 4 22.585 5.545 -20.967 1.00 0.00 C ATOM 33 O GLY A 4 22.141 5.950 -22.041 1.00 0.00 O ATOM 0 HA2 GLY A 4 24.161 5.727 -19.531 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.024 7.060 -19.521 1.00 0.00 H new ATOM 37 N SER A 5 22.241 4.375 -20.436 1.00 0.00 N ATOM 38 CA SER A 5 21.305 3.479 -21.105 1.00 0.00 C ATOM 39 C SER A 5 20.723 2.469 -20.120 1.00 0.00 C ATOM 40 O SER A 5 21.130 2.411 -18.959 1.00 0.00 O ATOM 41 CB SER A 5 22.001 2.745 -22.253 1.00 0.00 C ATOM 42 OG SER A 5 21.056 2.228 -23.174 1.00 0.00 O ATOM 0 H SER A 5 22.596 4.026 -19.546 1.00 0.00 H new ATOM 0 HA SER A 5 20.490 4.080 -21.508 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.679 3.426 -22.767 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.608 1.932 -21.854 1.00 0.00 H new ATOM 0 HG SER A 5 21.525 1.765 -23.899 1.00 0.00 H new ATOM 48 N SER A 6 19.767 1.675 -20.591 1.00 0.00 N ATOM 49 CA SER A 6 19.125 0.670 -19.753 1.00 0.00 C ATOM 50 C SER A 6 19.341 -0.730 -20.320 1.00 0.00 C ATOM 51 O SER A 6 19.174 -0.959 -21.517 1.00 0.00 O ATOM 52 CB SER A 6 17.628 0.958 -19.631 1.00 0.00 C ATOM 53 OG SER A 6 17.003 0.956 -20.903 1.00 0.00 O ATOM 0 H SER A 6 19.420 1.709 -21.550 1.00 0.00 H new ATOM 0 HA SER A 6 19.578 0.715 -18.763 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.161 0.209 -18.992 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.478 1.925 -19.150 1.00 0.00 H new ATOM 0 HG SER A 6 17.459 0.317 -21.490 1.00 0.00 H new ATOM 59 N GLY A 7 19.715 -1.663 -19.450 1.00 0.00 N ATOM 60 CA GLY A 7 19.948 -3.029 -19.882 1.00 0.00 C ATOM 61 C GLY A 7 18.821 -3.962 -19.486 1.00 0.00 C ATOM 62 O GLY A 7 17.817 -3.530 -18.921 1.00 0.00 O ATOM 0 H GLY A 7 19.861 -1.498 -18.454 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.068 -3.049 -20.965 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.882 -3.389 -19.451 1.00 0.00 H new ATOM 66 N MET A 8 18.986 -5.247 -19.785 1.00 0.00 N ATOM 67 CA MET A 8 17.974 -6.244 -19.457 1.00 0.00 C ATOM 68 C MET A 8 18.480 -7.651 -19.757 1.00 0.00 C ATOM 69 O MET A 8 19.302 -7.848 -20.650 1.00 0.00 O ATOM 70 CB MET A 8 16.689 -5.974 -20.242 1.00 0.00 C ATOM 71 CG MET A 8 16.823 -6.229 -21.735 1.00 0.00 C ATOM 72 SD MET A 8 15.556 -5.385 -22.701 1.00 0.00 S ATOM 73 CE MET A 8 16.304 -3.770 -22.902 1.00 0.00 C ATOM 0 H MET A 8 19.811 -5.622 -20.254 1.00 0.00 H new ATOM 0 HA MET A 8 17.762 -6.173 -18.390 1.00 0.00 H new ATOM 0 HB2 MET A 8 15.892 -6.602 -19.845 1.00 0.00 H new ATOM 0 HB3 MET A 8 16.388 -4.938 -20.084 1.00 0.00 H new ATOM 0 HG2 MET A 8 17.807 -5.901 -22.069 1.00 0.00 H new ATOM 0 HG3 MET A 8 16.764 -7.301 -21.923 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.638 -3.130 -23.481 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.475 -3.324 -21.922 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.255 -3.872 -23.425 1.00 0.00 H new ATOM 83 N ALA A 9 17.983 -8.626 -19.003 1.00 0.00 N ATOM 84 CA ALA A 9 18.384 -10.015 -19.189 1.00 0.00 C ATOM 85 C ALA A 9 17.566 -10.947 -18.300 1.00 0.00 C ATOM 86 O ALA A 9 17.608 -10.845 -17.074 1.00 0.00 O ATOM 87 CB ALA A 9 19.869 -10.179 -18.902 1.00 0.00 C ATOM 0 H ALA A 9 17.302 -8.480 -18.258 1.00 0.00 H new ATOM 0 HA ALA A 9 18.193 -10.286 -20.228 1.00 0.00 H new ATOM 0 HB1 ALA A 9 20.154 -11.221 -19.045 1.00 0.00 H new ATOM 0 HB2 ALA A 9 20.443 -9.549 -19.582 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.075 -9.884 -17.873 1.00 0.00 H new ATOM 93 N SER A 10 16.822 -11.853 -18.926 1.00 0.00 N ATOM 94 CA SER A 10 15.991 -12.799 -18.192 1.00 0.00 C ATOM 95 C SER A 10 15.776 -14.075 -19.001 1.00 0.00 C ATOM 96 O SER A 10 16.240 -14.190 -20.135 1.00 0.00 O ATOM 97 CB SER A 10 14.641 -12.166 -17.849 1.00 0.00 C ATOM 98 OG SER A 10 14.713 -11.440 -16.634 1.00 0.00 O ATOM 0 H SER A 10 16.778 -11.952 -19.940 1.00 0.00 H new ATOM 0 HA SER A 10 16.508 -13.058 -17.268 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.332 -11.501 -18.656 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.881 -12.943 -17.767 1.00 0.00 H new ATOM 0 HG SER A 10 15.624 -11.102 -16.509 1.00 0.00 H new ATOM 104 N SER A 11 15.069 -15.032 -18.408 1.00 0.00 N ATOM 105 CA SER A 11 14.795 -16.302 -19.070 1.00 0.00 C ATOM 106 C SER A 11 13.522 -16.215 -19.907 1.00 0.00 C ATOM 107 O SER A 11 12.415 -16.179 -19.370 1.00 0.00 O ATOM 108 CB SER A 11 14.665 -17.423 -18.037 1.00 0.00 C ATOM 109 OG SER A 11 13.627 -17.145 -17.112 1.00 0.00 O ATOM 0 H SER A 11 14.676 -14.952 -17.470 1.00 0.00 H new ATOM 0 HA SER A 11 15.631 -16.525 -19.733 1.00 0.00 H new ATOM 0 HB2 SER A 11 14.462 -18.367 -18.543 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.609 -17.543 -17.505 1.00 0.00 H new ATOM 0 HG SER A 11 12.846 -16.797 -17.591 1.00 0.00 H new ATOM 115 N VAL A 12 13.689 -16.181 -21.225 1.00 0.00 N ATOM 116 CA VAL A 12 12.555 -16.099 -22.137 1.00 0.00 C ATOM 117 C VAL A 12 12.378 -17.399 -22.913 1.00 0.00 C ATOM 118 O VAL A 12 12.138 -17.387 -24.121 1.00 0.00 O ATOM 119 CB VAL A 12 12.719 -14.937 -23.135 1.00 0.00 C ATOM 120 CG1 VAL A 12 11.385 -14.593 -23.779 1.00 0.00 C ATOM 121 CG2 VAL A 12 13.316 -13.721 -22.442 1.00 0.00 C ATOM 0 H VAL A 12 14.599 -16.209 -21.685 1.00 0.00 H new ATOM 0 HA VAL A 12 11.670 -15.921 -21.525 1.00 0.00 H new ATOM 0 HB VAL A 12 13.404 -15.251 -23.923 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.521 -13.770 -24.481 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.002 -15.464 -24.311 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.674 -14.298 -23.007 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.425 -12.909 -23.161 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.658 -13.403 -21.633 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.294 -13.978 -22.034 1.00 0.00 H new ATOM 131 N LEU A 13 12.499 -18.521 -22.212 1.00 0.00 N ATOM 132 CA LEU A 13 12.352 -19.832 -22.835 1.00 0.00 C ATOM 133 C LEU A 13 11.071 -20.516 -22.369 1.00 0.00 C ATOM 134 O LEU A 13 11.004 -21.742 -22.291 1.00 0.00 O ATOM 135 CB LEU A 13 13.561 -20.712 -22.508 1.00 0.00 C ATOM 136 CG LEU A 13 13.600 -21.302 -21.098 1.00 0.00 C ATOM 137 CD1 LEU A 13 14.288 -22.658 -21.107 1.00 0.00 C ATOM 138 CD2 LEU A 13 14.304 -20.351 -20.142 1.00 0.00 C ATOM 0 H LEU A 13 12.698 -18.549 -21.212 1.00 0.00 H new ATOM 0 HA LEU A 13 12.294 -19.690 -23.914 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.592 -21.533 -23.225 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.465 -20.123 -22.659 1.00 0.00 H new ATOM 0 HG LEU A 13 12.575 -21.439 -20.753 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.307 -23.063 -20.095 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.742 -23.339 -21.760 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.309 -22.546 -21.472 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.323 -20.787 -19.143 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.325 -20.182 -20.483 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.769 -19.402 -20.114 1.00 0.00 H new ATOM 150 N GLU A 14 10.056 -19.714 -22.063 1.00 0.00 N ATOM 151 CA GLU A 14 8.776 -20.243 -21.606 1.00 0.00 C ATOM 152 C GLU A 14 7.637 -19.289 -21.954 1.00 0.00 C ATOM 153 O GLU A 14 7.857 -18.098 -22.171 1.00 0.00 O ATOM 154 CB GLU A 14 8.809 -20.487 -20.096 1.00 0.00 C ATOM 155 CG GLU A 14 8.877 -19.210 -19.275 1.00 0.00 C ATOM 156 CD GLU A 14 10.236 -18.542 -19.347 1.00 0.00 C ATOM 157 OE1 GLU A 14 11.224 -19.158 -18.895 1.00 0.00 O ATOM 158 OE2 GLU A 14 10.312 -17.404 -19.855 1.00 0.00 O ATOM 0 H GLU A 14 10.095 -18.697 -22.123 1.00 0.00 H new ATOM 0 HA GLU A 14 8.601 -21.191 -22.116 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.920 -21.048 -19.807 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.671 -21.110 -19.856 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.115 -18.515 -19.628 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.643 -19.438 -18.235 1.00 0.00 H new ATOM 165 N MET A 15 6.421 -19.822 -22.004 1.00 0.00 N ATOM 166 CA MET A 15 5.247 -19.017 -22.325 1.00 0.00 C ATOM 167 C MET A 15 5.320 -17.654 -21.644 1.00 0.00 C ATOM 168 O MET A 15 5.360 -17.565 -20.416 1.00 0.00 O ATOM 169 CB MET A 15 3.971 -19.746 -21.899 1.00 0.00 C ATOM 170 CG MET A 15 3.580 -20.881 -22.830 1.00 0.00 C ATOM 171 SD MET A 15 2.892 -20.295 -24.390 1.00 0.00 S ATOM 172 CE MET A 15 1.610 -21.513 -24.673 1.00 0.00 C ATOM 0 H MET A 15 6.222 -20.807 -21.827 1.00 0.00 H new ATOM 0 HA MET A 15 5.226 -18.863 -23.404 1.00 0.00 H new ATOM 0 HB2 MET A 15 4.108 -20.143 -20.893 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.152 -19.029 -21.850 1.00 0.00 H new ATOM 0 HG2 MET A 15 4.456 -21.497 -23.033 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.850 -21.519 -22.332 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.092 -21.286 -25.605 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.058 -22.504 -24.739 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.899 -21.491 -23.847 1.00 0.00 H new ATOM 182 N ILE A 16 5.337 -16.596 -22.447 1.00 0.00 N ATOM 183 CA ILE A 16 5.404 -15.239 -21.921 1.00 0.00 C ATOM 184 C ILE A 16 4.040 -14.560 -21.976 1.00 0.00 C ATOM 185 O ILE A 16 3.734 -13.832 -22.921 1.00 0.00 O ATOM 186 CB ILE A 16 6.423 -14.383 -22.698 1.00 0.00 C ATOM 187 CG1 ILE A 16 7.801 -15.048 -22.677 1.00 0.00 C ATOM 188 CG2 ILE A 16 6.495 -12.982 -22.111 1.00 0.00 C ATOM 189 CD1 ILE A 16 8.430 -15.089 -21.302 1.00 0.00 C ATOM 0 H ILE A 16 5.305 -16.653 -23.465 1.00 0.00 H new ATOM 0 HA ILE A 16 5.726 -15.319 -20.883 1.00 0.00 H new ATOM 0 HB ILE A 16 6.094 -14.304 -23.734 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.710 -16.066 -23.057 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.465 -14.512 -23.356 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.219 -12.390 -22.671 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.514 -12.510 -22.174 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.803 -13.040 -21.067 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.404 -15.574 -21.362 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.553 -14.073 -20.928 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.787 -15.650 -20.624 1.00 0.00 H new ATOM 201 N LYS A 17 3.224 -14.800 -20.956 1.00 0.00 N ATOM 202 CA LYS A 17 1.892 -14.210 -20.885 1.00 0.00 C ATOM 203 C LYS A 17 1.975 -12.713 -20.603 1.00 0.00 C ATOM 204 O LYS A 17 2.603 -12.289 -19.633 1.00 0.00 O ATOM 205 CB LYS A 17 1.064 -14.900 -19.798 1.00 0.00 C ATOM 206 CG LYS A 17 -0.435 -14.762 -19.997 1.00 0.00 C ATOM 207 CD LYS A 17 -0.919 -15.590 -21.177 1.00 0.00 C ATOM 208 CE LYS A 17 -1.238 -17.018 -20.762 1.00 0.00 C ATOM 209 NZ LYS A 17 -1.026 -17.980 -21.879 1.00 0.00 N ATOM 0 H LYS A 17 3.462 -15.400 -20.166 1.00 0.00 H new ATOM 0 HA LYS A 17 1.406 -14.354 -21.850 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.323 -15.959 -19.773 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.333 -14.483 -18.828 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.954 -15.078 -19.092 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.687 -13.714 -20.159 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.808 -15.128 -21.607 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.156 -15.598 -21.955 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.611 -17.299 -19.916 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.273 -17.076 -20.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.254 -18.942 -21.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.643 -17.727 -22.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.033 -17.944 -22.185 1.00 0.00 H new ATOM 269 N THR A 21 1.082 -11.400 -16.158 1.00 0.00 N ATOM 270 CA THR A 21 2.381 -10.902 -15.724 1.00 0.00 C ATOM 271 C THR A 21 2.460 -9.386 -15.855 1.00 0.00 C ATOM 272 O THR A 21 1.992 -8.812 -16.839 1.00 0.00 O ATOM 273 CB THR A 21 3.526 -11.537 -16.536 1.00 0.00 C ATOM 274 OG1 THR A 21 3.283 -12.937 -16.713 1.00 0.00 O ATOM 275 CG2 THR A 21 4.862 -11.333 -15.837 1.00 0.00 C ATOM 0 HA THR A 21 2.492 -11.179 -14.676 1.00 0.00 H new ATOM 0 HB THR A 21 3.565 -11.050 -17.510 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.317 -13.098 -16.759 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.656 -11.790 -16.428 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.057 -10.266 -15.730 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.831 -11.797 -14.851 1.00 0.00 H new ATOM 283 N CYS A 22 3.056 -8.740 -14.858 1.00 0.00 N ATOM 284 CA CYS A 22 3.197 -7.289 -14.862 1.00 0.00 C ATOM 285 C CYS A 22 3.543 -6.780 -16.258 1.00 0.00 C ATOM 286 O CYS A 22 4.571 -7.131 -16.838 1.00 0.00 O ATOM 287 CB CYS A 22 4.278 -6.859 -13.868 1.00 0.00 C ATOM 288 SG CYS A 22 4.242 -5.085 -13.453 1.00 0.00 S ATOM 0 H CYS A 22 3.449 -9.199 -14.037 1.00 0.00 H new ATOM 0 HA CYS A 22 2.243 -6.855 -14.562 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.165 -7.438 -12.952 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.256 -7.105 -14.282 1.00 0.00 H new ATOM 0 HG CYS A 22 3.188 -4.828 -12.737 1.00 0.00 H new ATOM 293 N PRO A 23 2.664 -5.932 -16.813 1.00 0.00 N ATOM 294 CA PRO A 23 2.854 -5.355 -18.147 1.00 0.00 C ATOM 295 C PRO A 23 3.999 -4.349 -18.186 1.00 0.00 C ATOM 296 O PRO A 23 4.225 -3.691 -19.202 1.00 0.00 O ATOM 297 CB PRO A 23 1.520 -4.658 -18.426 1.00 0.00 C ATOM 298 CG PRO A 23 0.964 -4.352 -17.078 1.00 0.00 C ATOM 299 CD PRO A 23 1.418 -5.470 -16.180 1.00 0.00 C ATOM 0 HA PRO A 23 3.117 -6.113 -18.885 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.663 -3.749 -19.011 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.848 -5.301 -18.995 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.325 -3.389 -16.716 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.124 -4.293 -17.109 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.590 -5.122 -15.161 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.676 -6.267 -16.124 1.00 0.00 H new ATOM 307 N ILE A 24 4.719 -4.235 -17.074 1.00 0.00 N ATOM 308 CA ILE A 24 5.841 -3.310 -16.983 1.00 0.00 C ATOM 309 C ILE A 24 7.163 -4.060 -16.860 1.00 0.00 C ATOM 310 O ILE A 24 7.992 -4.033 -17.770 1.00 0.00 O ATOM 311 CB ILE A 24 5.690 -2.358 -15.782 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.470 -1.453 -15.970 1.00 0.00 C ATOM 313 CG2 ILE A 24 6.951 -1.526 -15.603 1.00 0.00 C ATOM 314 CD1 ILE A 24 3.824 -1.032 -14.669 1.00 0.00 C ATOM 0 H ILE A 24 4.545 -4.772 -16.224 1.00 0.00 H new ATOM 0 HA ILE A 24 5.842 -2.724 -17.902 1.00 0.00 H new ATOM 0 HB ILE A 24 5.541 -2.954 -14.882 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.770 -0.562 -16.522 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.732 -1.973 -16.581 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.828 -0.858 -14.750 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.801 -2.186 -15.428 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.129 -0.937 -16.503 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.966 -0.393 -14.879 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.493 -1.916 -14.124 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.547 -0.483 -14.065 1.00 0.00 H new ATOM 326 N CYS A 25 7.353 -4.730 -15.729 1.00 0.00 N ATOM 327 CA CYS A 25 8.574 -5.490 -15.485 1.00 0.00 C ATOM 328 C CYS A 25 8.490 -6.873 -16.124 1.00 0.00 C ATOM 329 O CYS A 25 9.510 -7.492 -16.427 1.00 0.00 O ATOM 330 CB CYS A 25 8.824 -5.624 -13.982 1.00 0.00 C ATOM 331 SG CYS A 25 7.494 -6.481 -13.080 1.00 0.00 S ATOM 0 H CYS A 25 6.677 -4.763 -14.966 1.00 0.00 H new ATOM 0 HA CYS A 25 9.406 -4.950 -15.938 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.759 -6.162 -13.827 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.955 -4.629 -13.556 1.00 0.00 H new ATOM 0 HG CYS A 25 6.405 -5.774 -13.138 1.00 0.00 H new ATOM 336 N LEU A 26 7.267 -7.352 -16.325 1.00 0.00 N ATOM 337 CA LEU A 26 7.049 -8.663 -16.928 1.00 0.00 C ATOM 338 C LEU A 26 7.554 -9.774 -16.014 1.00 0.00 C ATOM 339 O LEU A 26 8.205 -10.715 -16.468 1.00 0.00 O ATOM 340 CB LEU A 26 7.749 -8.744 -18.286 1.00 0.00 C ATOM 341 CG LEU A 26 7.486 -7.586 -19.248 1.00 0.00 C ATOM 342 CD1 LEU A 26 8.447 -7.641 -20.426 1.00 0.00 C ATOM 343 CD2 LEU A 26 6.044 -7.612 -19.732 1.00 0.00 C ATOM 0 H LEU A 26 6.412 -6.853 -16.080 1.00 0.00 H new ATOM 0 HA LEU A 26 5.977 -8.796 -17.071 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.823 -8.810 -18.115 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.446 -9.671 -18.773 1.00 0.00 H new ATOM 0 HG LEU A 26 7.652 -6.650 -18.714 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.244 -6.809 -21.100 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.472 -7.572 -20.063 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.314 -8.581 -20.961 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.875 -6.780 -20.416 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.851 -8.552 -20.249 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.372 -7.522 -18.878 1.00 0.00 H new ATOM 355 N GLU A 27 7.249 -9.658 -14.726 1.00 0.00 N ATOM 356 CA GLU A 27 7.672 -10.655 -13.749 1.00 0.00 C ATOM 357 C GLU A 27 6.571 -10.914 -12.724 1.00 0.00 C ATOM 358 O GLU A 27 5.580 -10.185 -12.664 1.00 0.00 O ATOM 359 CB GLU A 27 8.947 -10.195 -13.038 1.00 0.00 C ATOM 360 CG GLU A 27 10.216 -10.465 -13.829 1.00 0.00 C ATOM 361 CD GLU A 27 10.777 -11.851 -13.578 1.00 0.00 C ATOM 362 OE1 GLU A 27 10.137 -12.835 -14.004 1.00 0.00 O ATOM 363 OE2 GLU A 27 11.855 -11.951 -12.955 1.00 0.00 O ATOM 0 H GLU A 27 6.711 -8.885 -14.335 1.00 0.00 H new ATOM 0 HA GLU A 27 7.875 -11.584 -14.281 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.875 -9.126 -12.836 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.016 -10.697 -12.073 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.008 -10.349 -14.893 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.968 -9.720 -13.568 1.00 0.00 H new ATOM 370 N LEU A 28 6.752 -11.957 -11.922 1.00 0.00 N ATOM 371 CA LEU A 28 5.774 -12.314 -10.900 1.00 0.00 C ATOM 372 C LEU A 28 5.365 -11.091 -10.086 1.00 0.00 C ATOM 373 O LEU A 28 6.197 -10.463 -9.429 1.00 0.00 O ATOM 374 CB LEU A 28 6.345 -13.390 -9.974 1.00 0.00 C ATOM 375 CG LEU A 28 6.273 -14.827 -10.489 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.979 -15.774 -9.532 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.824 -15.250 -10.689 1.00 0.00 C ATOM 0 H LEU A 28 7.566 -12.570 -11.959 1.00 0.00 H new ATOM 0 HA LEU A 28 4.889 -12.706 -11.401 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.389 -13.150 -9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.816 -13.340 -9.022 1.00 0.00 H new ATOM 0 HG LEU A 28 6.781 -14.873 -11.452 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.917 -16.792 -9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.026 -15.484 -9.439 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.501 -15.725 -8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.792 -16.276 -11.056 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.292 -15.187 -9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.349 -14.590 -11.415 1.00 0.00 H new ATOM 389 N LEU A 29 4.080 -10.759 -10.132 1.00 0.00 N ATOM 390 CA LEU A 29 3.559 -9.612 -9.396 1.00 0.00 C ATOM 391 C LEU A 29 3.735 -9.803 -7.893 1.00 0.00 C ATOM 392 O LEU A 29 3.244 -10.775 -7.318 1.00 0.00 O ATOM 393 CB LEU A 29 2.080 -9.398 -9.726 1.00 0.00 C ATOM 394 CG LEU A 29 1.757 -9.085 -11.187 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.379 -9.615 -11.553 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.840 -7.588 -11.443 1.00 0.00 C ATOM 0 H LEU A 29 3.379 -11.268 -10.671 1.00 0.00 H new ATOM 0 HA LEU A 29 4.123 -8.730 -9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.531 -10.294 -9.437 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.705 -8.581 -9.109 1.00 0.00 H new ATOM 0 HG LEU A 29 2.495 -9.582 -11.817 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.165 -9.383 -12.596 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.354 -10.695 -11.409 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.372 -9.147 -10.916 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.607 -7.384 -12.488 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.125 -7.069 -10.804 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.847 -7.236 -11.221 1.00 0.00 H new ATOM 408 N LYS A 30 4.435 -8.868 -7.261 1.00 0.00 N ATOM 409 CA LYS A 30 4.674 -8.930 -5.824 1.00 0.00 C ATOM 410 C LYS A 30 3.757 -7.965 -5.079 1.00 0.00 C ATOM 411 O LYS A 30 3.901 -6.748 -5.189 1.00 0.00 O ATOM 412 CB LYS A 30 6.136 -8.602 -5.514 1.00 0.00 C ATOM 413 CG LYS A 30 6.476 -8.679 -4.036 1.00 0.00 C ATOM 414 CD LYS A 30 7.979 -8.676 -3.808 1.00 0.00 C ATOM 415 CE LYS A 30 8.595 -10.027 -4.137 1.00 0.00 C ATOM 416 NZ LYS A 30 10.032 -9.905 -4.507 1.00 0.00 N ATOM 0 H LYS A 30 4.847 -8.057 -7.722 1.00 0.00 H new ATOM 0 HA LYS A 30 4.457 -9.944 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.778 -9.291 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.360 -7.599 -5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.026 -7.834 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.044 -9.584 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.440 -7.905 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.190 -8.422 -2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.496 -10.690 -3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.046 -10.486 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.416 -10.847 -4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.125 -9.292 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.561 -9.490 -3.713 1.00 0.00 H new ATOM 430 N GLU A 31 2.816 -8.518 -4.319 1.00 0.00 N ATOM 431 CA GLU A 31 1.876 -7.705 -3.556 1.00 0.00 C ATOM 432 C GLU A 31 1.315 -6.573 -4.412 1.00 0.00 C ATOM 433 O GLU A 31 1.358 -5.400 -4.040 1.00 0.00 O ATOM 434 CB GLU A 31 2.559 -7.129 -2.313 1.00 0.00 C ATOM 435 CG GLU A 31 2.672 -8.119 -1.166 1.00 0.00 C ATOM 436 CD GLU A 31 3.393 -9.392 -1.563 1.00 0.00 C ATOM 437 OE1 GLU A 31 4.629 -9.344 -1.740 1.00 0.00 O ATOM 438 OE2 GLU A 31 2.722 -10.437 -1.696 1.00 0.00 O ATOM 0 H GLU A 31 2.685 -9.524 -4.216 1.00 0.00 H new ATOM 0 HA GLU A 31 1.050 -8.345 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.557 -6.785 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.001 -6.256 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.201 -7.650 -0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.674 -8.368 -0.807 1.00 0.00 H new ATOM 445 N PRO A 32 0.775 -6.932 -5.586 1.00 0.00 N ATOM 446 CA PRO A 32 0.195 -5.963 -6.520 1.00 0.00 C ATOM 447 C PRO A 32 -1.104 -5.360 -5.996 1.00 0.00 C ATOM 448 O PRO A 32 -1.686 -5.856 -5.032 1.00 0.00 O ATOM 449 CB PRO A 32 -0.071 -6.796 -7.776 1.00 0.00 C ATOM 450 CG PRO A 32 -0.225 -8.192 -7.280 1.00 0.00 C ATOM 451 CD PRO A 32 0.690 -8.312 -6.093 1.00 0.00 C ATOM 0 HA PRO A 32 0.856 -5.113 -6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.970 -6.458 -8.292 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.753 -6.717 -8.485 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.258 -8.394 -6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.042 -8.913 -8.053 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.287 -8.992 -5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.669 -8.696 -6.378 1.00 0.00 H new ATOM 459 N VAL A 33 -1.554 -4.286 -6.638 1.00 0.00 N ATOM 460 CA VAL A 33 -2.785 -3.616 -6.238 1.00 0.00 C ATOM 461 C VAL A 33 -3.675 -3.334 -7.444 1.00 0.00 C ATOM 462 O VAL A 33 -3.241 -2.717 -8.417 1.00 0.00 O ATOM 463 CB VAL A 33 -2.492 -2.291 -5.509 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.673 -2.543 -4.253 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.777 -1.321 -6.437 1.00 0.00 C ATOM 0 H VAL A 33 -1.084 -3.862 -7.438 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.304 -4.290 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.439 -1.842 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.476 -1.596 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.227 -3.200 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.728 -3.014 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.577 -0.390 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.835 -1.760 -6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.405 -1.117 -7.304 1.00 0.00 H new ATOM 475 N SER A 34 -4.921 -3.791 -7.372 1.00 0.00 N ATOM 476 CA SER A 34 -5.872 -3.591 -8.460 1.00 0.00 C ATOM 477 C SER A 34 -6.268 -2.122 -8.571 1.00 0.00 C ATOM 478 O SER A 34 -6.150 -1.361 -7.611 1.00 0.00 O ATOM 479 CB SER A 34 -7.117 -4.452 -8.242 1.00 0.00 C ATOM 480 OG SER A 34 -6.912 -5.773 -8.712 1.00 0.00 O ATOM 0 H SER A 34 -5.296 -4.302 -6.573 1.00 0.00 H new ATOM 0 HA SER A 34 -5.391 -3.891 -9.391 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.366 -4.475 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.966 -4.006 -8.759 1.00 0.00 H new ATOM 0 HG SER A 34 -7.722 -6.304 -8.560 1.00 0.00 H new ATOM 486 N ALA A 35 -6.740 -1.730 -9.751 1.00 0.00 N ATOM 487 CA ALA A 35 -7.156 -0.354 -9.989 1.00 0.00 C ATOM 488 C ALA A 35 -8.547 -0.301 -10.611 1.00 0.00 C ATOM 489 O ALA A 35 -9.143 -1.335 -10.912 1.00 0.00 O ATOM 490 CB ALA A 35 -6.149 0.355 -10.882 1.00 0.00 C ATOM 0 H ALA A 35 -6.843 -2.347 -10.557 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.197 0.159 -9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.473 1.382 -11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.172 0.357 -10.398 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.080 -0.166 -11.837 1.00 0.00 H new ATOM 496 N ASP A 36 -9.059 0.910 -10.801 1.00 0.00 N ATOM 497 CA ASP A 36 -10.381 1.098 -11.388 1.00 0.00 C ATOM 498 C ASP A 36 -10.500 0.346 -12.709 1.00 0.00 C ATOM 499 O ASP A 36 -11.562 -0.180 -13.043 1.00 0.00 O ATOM 500 CB ASP A 36 -10.659 2.586 -11.606 1.00 0.00 C ATOM 501 CG ASP A 36 -12.046 2.840 -12.163 1.00 0.00 C ATOM 502 OD1 ASP A 36 -13.031 2.593 -11.436 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.146 3.286 -13.325 1.00 0.00 O ATOM 0 H ASP A 36 -8.579 1.776 -10.557 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.120 0.697 -10.695 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.548 3.116 -10.660 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.915 2.995 -12.290 1.00 0.00 H new ATOM 508 N CYS A 37 -9.404 0.300 -13.459 1.00 0.00 N ATOM 509 CA CYS A 37 -9.385 -0.386 -14.746 1.00 0.00 C ATOM 510 C CYS A 37 -9.000 -1.852 -14.575 1.00 0.00 C ATOM 511 O CYS A 37 -8.264 -2.410 -15.387 1.00 0.00 O ATOM 512 CB CYS A 37 -8.406 0.302 -15.699 1.00 0.00 C ATOM 513 SG CYS A 37 -6.747 0.569 -14.997 1.00 0.00 S ATOM 0 H CYS A 37 -8.517 0.730 -13.198 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.388 -0.339 -15.170 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.313 -0.299 -16.604 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.822 1.265 -15.997 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.562 1.839 -14.792 1.00 0.00 H new ATOM 518 N ASN A 38 -9.503 -2.471 -13.511 1.00 0.00 N ATOM 519 CA ASN A 38 -9.212 -3.872 -13.233 1.00 0.00 C ATOM 520 C ASN A 38 -7.783 -4.221 -13.637 1.00 0.00 C ATOM 521 O ASN A 38 -7.523 -5.300 -14.171 1.00 0.00 O ATOM 522 CB ASN A 38 -10.199 -4.777 -13.974 1.00 0.00 C ATOM 523 CG ASN A 38 -11.529 -4.892 -13.255 1.00 0.00 C ATOM 524 OD1 ASN A 38 -12.073 -3.901 -12.769 1.00 0.00 O ATOM 525 ND2 ASN A 38 -12.059 -6.108 -13.184 1.00 0.00 N ATOM 0 H ASN A 38 -10.114 -2.024 -12.828 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.317 -4.033 -12.160 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.364 -4.385 -14.978 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.763 -5.770 -14.087 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.952 -6.248 -12.712 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.573 -6.901 -13.601 1.00 0.00 H new ATOM 532 N HIS A 39 -6.859 -3.302 -13.377 1.00 0.00 N ATOM 533 CA HIS A 39 -5.455 -3.513 -13.712 1.00 0.00 C ATOM 534 C HIS A 39 -4.577 -3.403 -12.469 1.00 0.00 C ATOM 535 O HIS A 39 -4.556 -2.369 -11.801 1.00 0.00 O ATOM 536 CB HIS A 39 -5.002 -2.498 -14.762 1.00 0.00 C ATOM 537 CG HIS A 39 -5.606 -2.724 -16.114 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.642 -1.754 -17.094 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.200 -3.817 -16.647 1.00 0.00 C ATOM 540 CE1 HIS A 39 -6.232 -2.241 -18.170 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.580 -3.492 -17.925 1.00 0.00 N ATOM 0 H HIS A 39 -7.057 -2.404 -12.935 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.351 -4.518 -14.120 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.260 -1.495 -14.421 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.916 -2.536 -14.847 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -5.271 -0.808 -17.002 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.348 -4.768 -16.157 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.401 -1.708 -19.094 1.00 0.00 H new ATOM 549 N SER A 40 -3.854 -4.476 -12.164 1.00 0.00 N ATOM 550 CA SER A 40 -2.978 -4.502 -10.999 1.00 0.00 C ATOM 551 C SER A 40 -1.513 -4.532 -11.422 1.00 0.00 C ATOM 552 O SER A 40 -1.174 -5.036 -12.492 1.00 0.00 O ATOM 553 CB SER A 40 -3.294 -5.717 -10.124 1.00 0.00 C ATOM 554 OG SER A 40 -3.406 -6.893 -10.907 1.00 0.00 O ATOM 0 H SER A 40 -3.858 -5.339 -12.708 1.00 0.00 H new ATOM 0 HA SER A 40 -3.153 -3.593 -10.423 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.510 -5.846 -9.378 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.224 -5.547 -9.582 1.00 0.00 H new ATOM 0 HG SER A 40 -3.606 -7.656 -10.325 1.00 0.00 H new ATOM 560 N PHE A 41 -0.647 -3.988 -10.572 1.00 0.00 N ATOM 561 CA PHE A 41 0.782 -3.951 -10.857 1.00 0.00 C ATOM 562 C PHE A 41 1.596 -4.055 -9.570 1.00 0.00 C ATOM 563 O PHE A 41 1.094 -3.779 -8.480 1.00 0.00 O ATOM 564 CB PHE A 41 1.143 -2.662 -11.599 1.00 0.00 C ATOM 565 CG PHE A 41 0.119 -2.250 -12.617 1.00 0.00 C ATOM 566 CD1 PHE A 41 -0.973 -1.481 -12.250 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.249 -2.633 -13.943 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.917 -1.100 -13.185 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.691 -2.254 -14.882 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.776 -1.488 -14.503 1.00 0.00 C ATOM 0 H PHE A 41 -0.911 -3.567 -9.681 1.00 0.00 H new ATOM 0 HA PHE A 41 1.023 -4.806 -11.489 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.267 -1.858 -10.874 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.104 -2.795 -12.095 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.088 -1.175 -11.221 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.094 -3.234 -14.245 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.763 -0.500 -12.885 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.577 -2.557 -15.912 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.513 -1.193 -15.236 1.00 0.00 H new ATOM 580 N CYS A 42 2.855 -4.457 -9.704 1.00 0.00 N ATOM 581 CA CYS A 42 3.740 -4.600 -8.554 1.00 0.00 C ATOM 582 C CYS A 42 3.638 -3.385 -7.636 1.00 0.00 C ATOM 583 O CYS A 42 3.811 -2.247 -8.074 1.00 0.00 O ATOM 584 CB CYS A 42 5.187 -4.784 -9.017 1.00 0.00 C ATOM 585 SG CYS A 42 5.421 -6.150 -10.199 1.00 0.00 S ATOM 0 H CYS A 42 3.286 -4.690 -10.599 1.00 0.00 H new ATOM 0 HA CYS A 42 3.430 -5.483 -7.995 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.531 -3.857 -9.476 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.817 -4.960 -8.145 1.00 0.00 H new ATOM 0 HG CYS A 42 5.000 -5.785 -11.373 1.00 0.00 H new ATOM 590 N ARG A 43 3.358 -3.636 -6.362 1.00 0.00 N ATOM 591 CA ARG A 43 3.232 -2.563 -5.382 1.00 0.00 C ATOM 592 C ARG A 43 4.204 -1.428 -5.691 1.00 0.00 C ATOM 593 O ARG A 43 3.859 -0.253 -5.570 1.00 0.00 O ATOM 594 CB ARG A 43 3.489 -3.099 -3.972 1.00 0.00 C ATOM 595 CG ARG A 43 2.793 -2.302 -2.881 1.00 0.00 C ATOM 596 CD ARG A 43 2.475 -3.170 -1.674 1.00 0.00 C ATOM 597 NE ARG A 43 3.676 -3.520 -0.920 1.00 0.00 N ATOM 598 CZ ARG A 43 4.211 -2.742 0.014 1.00 0.00 C ATOM 599 NH1 ARG A 43 3.653 -1.576 0.309 1.00 0.00 N ATOM 600 NH2 ARG A 43 5.305 -3.130 0.657 1.00 0.00 N ATOM 0 H ARG A 43 3.214 -4.572 -5.984 1.00 0.00 H new ATOM 0 HA ARG A 43 2.216 -2.173 -5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.157 -4.136 -3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.562 -3.098 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.428 -1.470 -2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.872 -1.872 -3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.778 -2.643 -1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.976 -4.081 -2.004 1.00 0.00 H new ATOM 0 HE ARG A 43 4.129 -4.411 -1.122 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.811 -1.275 -0.182 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.066 -0.980 1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.736 -4.027 0.434 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.715 -2.531 1.374 1.00 0.00 H new ATOM 614 N ALA A 44 5.419 -1.788 -6.090 1.00 0.00 N ATOM 615 CA ALA A 44 6.440 -0.800 -6.418 1.00 0.00 C ATOM 616 C ALA A 44 6.197 -0.198 -7.798 1.00 0.00 C ATOM 617 O ALA A 44 6.041 1.016 -7.938 1.00 0.00 O ATOM 618 CB ALA A 44 7.824 -1.429 -6.350 1.00 0.00 C ATOM 0 H ALA A 44 5.721 -2.757 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 44 6.382 0.004 -5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.577 -0.680 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.004 -1.805 -5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.885 -2.253 -7.061 1.00 0.00 H new ATOM 624 N CYS A 45 6.168 -1.052 -8.814 1.00 0.00 N ATOM 625 CA CYS A 45 5.945 -0.605 -10.184 1.00 0.00 C ATOM 626 C CYS A 45 4.904 0.509 -10.230 1.00 0.00 C ATOM 627 O CYS A 45 5.208 1.642 -10.606 1.00 0.00 O ATOM 628 CB CYS A 45 5.494 -1.776 -11.059 1.00 0.00 C ATOM 629 SG CYS A 45 6.836 -2.917 -11.524 1.00 0.00 S ATOM 0 H CYS A 45 6.296 -2.059 -8.715 1.00 0.00 H new ATOM 0 HA CYS A 45 6.887 -0.215 -10.569 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.723 -2.336 -10.529 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.036 -1.382 -11.966 1.00 0.00 H new ATOM 0 HG CYS A 45 6.479 -4.138 -11.256 1.00 0.00 H new ATOM 634 N ILE A 46 3.676 0.180 -9.844 1.00 0.00 N ATOM 635 CA ILE A 46 2.590 1.152 -9.840 1.00 0.00 C ATOM 636 C ILE A 46 3.031 2.466 -9.204 1.00 0.00 C ATOM 637 O ILE A 46 2.629 3.546 -9.638 1.00 0.00 O ATOM 638 CB ILE A 46 1.358 0.617 -9.086 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.224 1.644 -9.125 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.723 0.277 -7.649 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.614 1.572 -10.382 1.00 0.00 C ATOM 0 H ILE A 46 3.408 -0.753 -9.530 1.00 0.00 H new ATOM 0 HA ILE A 46 2.320 1.328 -10.881 1.00 0.00 H new ATOM 0 HB ILE A 46 1.016 -0.293 -9.578 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.421 1.494 -8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.648 2.644 -9.037 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.842 -0.100 -7.129 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.502 -0.485 -7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.087 1.172 -7.144 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.398 2.328 -10.340 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.018 1.752 -11.252 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.067 0.584 -10.461 1.00 0.00 H new ATOM 653 N THR A 47 3.863 2.367 -8.171 1.00 0.00 N ATOM 654 CA THR A 47 4.360 3.546 -7.474 1.00 0.00 C ATOM 655 C THR A 47 5.349 4.320 -8.339 1.00 0.00 C ATOM 656 O THR A 47 5.086 5.456 -8.736 1.00 0.00 O ATOM 657 CB THR A 47 5.043 3.168 -6.147 1.00 0.00 C ATOM 658 OG1 THR A 47 4.136 2.427 -5.323 1.00 0.00 O ATOM 659 CG2 THR A 47 5.509 4.412 -5.404 1.00 0.00 C ATOM 0 H THR A 47 4.206 1.481 -7.799 1.00 0.00 H new ATOM 0 HA THR A 47 3.496 4.176 -7.263 1.00 0.00 H new ATOM 0 HB THR A 47 5.913 2.552 -6.375 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.200 1.474 -5.541 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.988 4.120 -4.470 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.221 4.959 -6.022 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.652 5.049 -5.188 1.00 0.00 H new ATOM 667 N LEU A 48 6.486 3.698 -8.629 1.00 0.00 N ATOM 668 CA LEU A 48 7.515 4.329 -9.449 1.00 0.00 C ATOM 669 C LEU A 48 6.933 4.822 -10.769 1.00 0.00 C ATOM 670 O LEU A 48 7.044 6.000 -11.106 1.00 0.00 O ATOM 671 CB LEU A 48 8.655 3.345 -9.717 1.00 0.00 C ATOM 672 CG LEU A 48 9.604 3.082 -8.547 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.318 1.751 -8.727 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.611 4.215 -8.412 1.00 0.00 C ATOM 0 H LEU A 48 6.719 2.758 -8.309 1.00 0.00 H new ATOM 0 HA LEU A 48 7.905 5.188 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.222 2.394 -10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.241 3.719 -10.557 1.00 0.00 H new ATOM 0 HG LEU A 48 9.015 3.034 -7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.989 1.581 -7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.583 0.947 -8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.894 1.769 -9.652 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.278 4.011 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.194 4.295 -9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.083 5.152 -8.235 1.00 0.00 H new ATOM 686 N ASN A 49 6.311 3.912 -11.512 1.00 0.00 N ATOM 687 CA ASN A 49 5.709 4.255 -12.796 1.00 0.00 C ATOM 688 C ASN A 49 4.973 5.589 -12.713 1.00 0.00 C ATOM 689 O ASN A 49 5.159 6.466 -13.556 1.00 0.00 O ATOM 690 CB ASN A 49 4.744 3.155 -13.241 1.00 0.00 C ATOM 691 CG ASN A 49 4.339 3.294 -14.696 1.00 0.00 C ATOM 692 OD1 ASN A 49 3.493 4.120 -15.040 1.00 0.00 O ATOM 693 ND2 ASN A 49 4.943 2.485 -15.558 1.00 0.00 N ATOM 0 H ASN A 49 6.211 2.932 -11.247 1.00 0.00 H new ATOM 0 HA ASN A 49 6.509 4.346 -13.531 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.211 2.182 -13.088 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.852 3.182 -12.614 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.712 2.533 -16.550 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.638 1.816 -15.228 1.00 0.00 H new ATOM 700 N TYR A 50 4.138 5.734 -11.690 1.00 0.00 N ATOM 701 CA TYR A 50 3.372 6.960 -11.497 1.00 0.00 C ATOM 702 C TYR A 50 4.298 8.162 -11.340 1.00 0.00 C ATOM 703 O TYR A 50 4.160 9.161 -12.045 1.00 0.00 O ATOM 704 CB TYR A 50 2.470 6.834 -10.268 1.00 0.00 C ATOM 705 CG TYR A 50 1.955 8.160 -9.756 1.00 0.00 C ATOM 706 CD1 TYR A 50 2.682 8.898 -8.829 1.00 0.00 C ATOM 707 CD2 TYR A 50 0.743 8.676 -10.198 1.00 0.00 C ATOM 708 CE1 TYR A 50 2.216 10.110 -8.357 1.00 0.00 C ATOM 709 CE2 TYR A 50 0.270 9.888 -9.733 1.00 0.00 C ATOM 710 CZ TYR A 50 1.010 10.601 -8.813 1.00 0.00 C ATOM 711 OH TYR A 50 0.542 11.808 -8.346 1.00 0.00 O ATOM 0 H TYR A 50 3.974 5.018 -10.982 1.00 0.00 H new ATOM 0 HA TYR A 50 2.753 7.114 -12.381 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.622 6.195 -10.514 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.023 6.337 -9.471 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.627 8.517 -8.472 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.160 8.120 -10.918 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.792 10.670 -7.635 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.674 10.275 -10.088 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.319 12.010 -8.767 1.00 0.00 H new ATOM 721 N GLU A 51 5.243 8.056 -10.411 1.00 0.00 N ATOM 722 CA GLU A 51 6.193 9.134 -10.161 1.00 0.00 C ATOM 723 C GLU A 51 6.528 9.874 -11.453 1.00 0.00 C ATOM 724 O GLU A 51 6.616 11.102 -11.472 1.00 0.00 O ATOM 725 CB GLU A 51 7.472 8.581 -9.531 1.00 0.00 C ATOM 726 CG GLU A 51 7.258 7.968 -8.157 1.00 0.00 C ATOM 727 CD GLU A 51 8.546 7.462 -7.536 1.00 0.00 C ATOM 728 OE1 GLU A 51 9.547 8.210 -7.555 1.00 0.00 O ATOM 729 OE2 GLU A 51 8.555 6.320 -7.033 1.00 0.00 O ATOM 0 H GLU A 51 5.371 7.235 -9.819 1.00 0.00 H new ATOM 0 HA GLU A 51 5.731 9.838 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.897 7.827 -10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.204 9.384 -9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.809 8.711 -7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.550 7.144 -8.238 1.00 0.00 H new ATOM 861 N ASN A 61 -1.387 8.066 -15.050 1.00 0.00 N ATOM 862 CA ASN A 61 -1.899 7.356 -16.217 1.00 0.00 C ATOM 863 C ASN A 61 -1.501 5.884 -16.175 1.00 0.00 C ATOM 864 O ASN A 61 -0.412 5.536 -15.717 1.00 0.00 O ATOM 865 CB ASN A 61 -1.377 8.001 -17.502 1.00 0.00 C ATOM 866 CG ASN A 61 -2.056 9.324 -17.802 1.00 0.00 C ATOM 867 OD1 ASN A 61 -1.495 10.392 -17.555 1.00 0.00 O ATOM 868 ND2 ASN A 61 -3.269 9.258 -18.338 1.00 0.00 N ATOM 0 HA ASN A 61 -2.987 7.421 -16.203 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.302 8.159 -17.415 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.533 7.318 -18.337 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.775 10.115 -18.562 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.695 8.350 -18.526 1.00 0.00 H new ATOM 875 N CYS A 62 -2.390 5.023 -16.658 1.00 0.00 N ATOM 876 CA CYS A 62 -2.133 3.588 -16.677 1.00 0.00 C ATOM 877 C CYS A 62 -1.240 3.211 -17.856 1.00 0.00 C ATOM 878 O CYS A 62 -1.529 3.525 -19.011 1.00 0.00 O ATOM 879 CB CYS A 62 -3.451 2.814 -16.753 1.00 0.00 C ATOM 880 SG CYS A 62 -3.294 1.040 -16.369 1.00 0.00 S ATOM 0 H CYS A 62 -3.295 5.294 -17.042 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.617 3.324 -15.754 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.164 3.263 -16.062 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.867 2.923 -17.755 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.407 0.607 -15.855 1.00 0.00 H new ATOM 885 N PRO A 63 -0.129 2.521 -17.560 1.00 0.00 N ATOM 886 CA PRO A 63 0.828 2.085 -18.581 1.00 0.00 C ATOM 887 C PRO A 63 0.264 0.984 -19.472 1.00 0.00 C ATOM 888 O PRO A 63 0.987 0.385 -20.269 1.00 0.00 O ATOM 889 CB PRO A 63 2.007 1.557 -17.760 1.00 0.00 C ATOM 890 CG PRO A 63 1.410 1.155 -16.455 1.00 0.00 C ATOM 891 CD PRO A 63 0.278 2.112 -16.205 1.00 0.00 C ATOM 0 HA PRO A 63 1.093 2.893 -19.262 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.486 0.711 -18.254 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.771 2.323 -17.627 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.051 0.127 -16.491 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.149 1.207 -15.655 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.541 1.634 -15.667 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.598 2.965 -15.607 1.00 0.00 H new ATOM 899 N VAL A 64 -1.031 0.721 -19.332 1.00 0.00 N ATOM 900 CA VAL A 64 -1.693 -0.308 -20.126 1.00 0.00 C ATOM 901 C VAL A 64 -2.837 0.280 -20.944 1.00 0.00 C ATOM 902 O VAL A 64 -2.871 0.150 -22.168 1.00 0.00 O ATOM 903 CB VAL A 64 -2.241 -1.438 -19.235 1.00 0.00 C ATOM 904 CG1 VAL A 64 -2.977 -2.471 -20.075 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.115 -2.086 -18.444 1.00 0.00 C ATOM 0 H VAL A 64 -1.643 1.206 -18.676 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.942 -0.719 -20.801 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.950 -1.008 -18.528 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.357 -3.262 -19.428 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.809 -1.993 -20.592 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.293 -2.899 -20.807 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.520 -2.882 -17.820 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.380 -2.503 -19.132 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.637 -1.338 -17.812 1.00 0.00 H new ATOM 915 N CYS A 65 -3.774 0.928 -20.260 1.00 0.00 N ATOM 916 CA CYS A 65 -4.921 1.537 -20.922 1.00 0.00 C ATOM 917 C CYS A 65 -4.804 3.059 -20.924 1.00 0.00 C ATOM 918 O CYS A 65 -5.544 3.748 -21.626 1.00 0.00 O ATOM 919 CB CYS A 65 -6.219 1.116 -20.229 1.00 0.00 C ATOM 920 SG CYS A 65 -6.277 1.516 -18.453 1.00 0.00 S ATOM 0 H CYS A 65 -3.761 1.045 -19.247 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.939 1.190 -21.955 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.058 1.601 -20.727 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.353 0.041 -20.353 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.163 1.153 -17.890 1.00 0.00 H new ATOM 925 N ARG A 66 -3.868 3.575 -20.135 1.00 0.00 N ATOM 926 CA ARG A 66 -3.653 5.015 -20.045 1.00 0.00 C ATOM 927 C ARG A 66 -4.913 5.722 -19.554 1.00 0.00 C ATOM 928 O ARG A 66 -5.392 6.666 -20.182 1.00 0.00 O ATOM 929 CB ARG A 66 -3.238 5.576 -21.406 1.00 0.00 C ATOM 930 CG ARG A 66 -1.995 4.918 -21.982 1.00 0.00 C ATOM 931 CD ARG A 66 -0.727 5.472 -21.351 1.00 0.00 C ATOM 932 NE ARG A 66 0.444 5.260 -22.197 1.00 0.00 N ATOM 933 CZ ARG A 66 1.694 5.412 -21.774 1.00 0.00 C ATOM 934 NH1 ARG A 66 1.934 5.774 -20.521 1.00 0.00 N ATOM 935 NH2 ARG A 66 2.707 5.201 -22.605 1.00 0.00 N ATOM 0 H ARG A 66 -3.246 3.018 -19.549 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.853 5.194 -19.327 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.063 5.452 -22.108 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.060 6.647 -21.309 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.043 3.841 -21.819 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.965 5.076 -23.060 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.851 6.539 -21.165 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.566 4.996 -20.384 1.00 0.00 H new ATOM 0 HE ARG A 66 0.294 4.980 -23.166 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.158 5.936 -19.879 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.895 5.890 -20.199 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.526 4.922 -23.569 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.667 5.318 -22.279 1.00 0.00 H new ATOM 949 N VAL A 67 -5.444 5.260 -18.426 1.00 0.00 N ATOM 950 CA VAL A 67 -6.647 5.848 -17.850 1.00 0.00 C ATOM 951 C VAL A 67 -6.332 6.583 -16.552 1.00 0.00 C ATOM 952 O VAL A 67 -5.586 6.098 -15.700 1.00 0.00 O ATOM 953 CB VAL A 67 -7.719 4.777 -17.574 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.299 3.888 -16.414 1.00 0.00 C ATOM 955 CG2 VAL A 67 -9.064 5.430 -17.296 1.00 0.00 C ATOM 0 H VAL A 67 -5.059 4.480 -17.893 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.034 6.558 -18.581 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.821 4.152 -18.461 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.069 3.137 -16.234 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.359 3.393 -16.657 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.168 4.496 -15.519 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.810 4.659 -17.103 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.980 6.080 -16.425 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.368 6.020 -18.161 1.00 0.00 H new ATOM 965 N PRO A 68 -6.913 7.781 -16.394 1.00 0.00 N ATOM 966 CA PRO A 68 -6.710 8.609 -15.201 1.00 0.00 C ATOM 967 C PRO A 68 -7.374 8.014 -13.964 1.00 0.00 C ATOM 968 O PRO A 68 -8.597 8.048 -13.827 1.00 0.00 O ATOM 969 CB PRO A 68 -7.369 9.939 -15.575 1.00 0.00 C ATOM 970 CG PRO A 68 -8.387 9.581 -16.602 1.00 0.00 C ATOM 971 CD PRO A 68 -7.813 8.421 -17.368 1.00 0.00 C ATOM 0 HA PRO A 68 -5.655 8.699 -14.942 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.831 10.410 -14.707 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.639 10.645 -15.970 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.334 9.310 -16.135 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.588 10.424 -17.263 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.592 7.737 -17.705 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.274 8.753 -18.256 1.00 0.00 H new ATOM 979 N TYR A 69 -6.561 7.471 -13.065 1.00 0.00 N ATOM 980 CA TYR A 69 -7.071 6.868 -11.839 1.00 0.00 C ATOM 981 C TYR A 69 -6.533 7.594 -10.610 1.00 0.00 C ATOM 982 O TYR A 69 -5.392 8.056 -10.579 1.00 0.00 O ATOM 983 CB TYR A 69 -6.690 5.388 -11.778 1.00 0.00 C ATOM 984 CG TYR A 69 -5.197 5.146 -11.784 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.462 5.187 -10.605 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.521 4.878 -12.968 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.098 4.968 -10.605 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.158 4.655 -12.977 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.451 4.702 -11.794 1.00 0.00 C ATOM 990 OH TYR A 69 -1.092 4.482 -11.799 1.00 0.00 O ATOM 0 H TYR A 69 -5.546 7.436 -13.162 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.157 6.957 -11.845 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.117 4.948 -10.877 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.137 4.871 -12.627 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.966 5.394 -9.673 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.071 4.843 -13.897 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.542 5.005 -9.680 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.649 4.445 -13.906 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.792 4.308 -12.716 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.375 7.698 -9.571 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.007 8.366 -8.318 1.00 0.00 C ATOM 1002 C PRO A 70 -5.969 7.580 -7.525 1.00 0.00 C ATOM 1003 O PRO A 70 -6.212 6.441 -7.123 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.330 8.432 -7.550 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.139 7.304 -8.091 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.749 7.172 -9.538 1.00 0.00 C ATOM 0 HA PRO A 70 -6.551 9.340 -8.494 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.171 8.326 -6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.830 9.388 -7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.936 6.382 -7.546 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.206 7.505 -7.991 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.790 6.135 -9.872 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.413 7.743 -10.187 1.00 0.00 H new ATOM 1014 N PHE A 71 -4.812 8.194 -7.302 1.00 0.00 N ATOM 1015 CA PHE A 71 -3.736 7.550 -6.557 1.00 0.00 C ATOM 1016 C PHE A 71 -4.140 7.326 -5.103 1.00 0.00 C ATOM 1017 O PHE A 71 -4.665 8.225 -4.448 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.465 8.400 -6.620 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.211 7.624 -6.331 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -0.652 6.802 -7.296 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -0.592 7.717 -5.095 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.502 6.088 -7.034 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.562 7.006 -4.828 1.00 0.00 C ATOM 1024 CZ PHE A 71 1.109 6.189 -5.798 1.00 0.00 C ATOM 0 H PHE A 71 -4.595 9.136 -7.626 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.540 6.580 -7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.386 8.848 -7.610 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.549 9.219 -5.906 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.123 6.718 -8.264 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.016 8.352 -4.332 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.929 5.452 -7.795 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.036 7.089 -3.861 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.010 5.630 -5.590 1.00 0.00 H new ATOM 1034 N GLY A 72 -3.892 6.118 -4.605 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.236 5.796 -3.233 1.00 0.00 C ATOM 1036 C GLY A 72 -5.415 4.847 -3.139 1.00 0.00 C ATOM 1037 O GLY A 72 -5.488 4.027 -2.225 1.00 0.00 O ATOM 0 H GLY A 72 -3.459 5.357 -5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.373 5.348 -2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.469 6.715 -2.695 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.341 4.961 -4.085 1.00 0.00 N ATOM 1042 CA ASN A 73 -7.524 4.108 -4.103 1.00 0.00 C ATOM 1043 C ASN A 73 -7.211 2.758 -4.740 1.00 0.00 C ATOM 1044 O ASN A 73 -8.018 2.212 -5.493 1.00 0.00 O ATOM 1045 CB ASN A 73 -8.661 4.792 -4.864 1.00 0.00 C ATOM 1046 CG ASN A 73 -10.025 4.260 -4.469 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -10.248 3.887 -3.317 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -10.944 4.221 -5.426 1.00 0.00 N ATOM 0 H ASN A 73 -6.295 5.635 -4.849 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.836 3.940 -3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.625 5.865 -4.677 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.515 4.650 -5.935 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.880 3.871 -5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.714 4.541 -6.367 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.034 2.224 -4.433 1.00 0.00 N ATOM 1056 CA LEU A 74 -5.613 0.936 -4.975 1.00 0.00 C ATOM 1057 C LEU A 74 -5.832 -0.180 -3.958 1.00 0.00 C ATOM 1058 O LEU A 74 -5.347 -0.110 -2.829 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.139 0.989 -5.382 1.00 0.00 C ATOM 1060 CG LEU A 74 -3.770 2.040 -6.429 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.300 2.413 -6.316 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.087 1.533 -7.829 1.00 0.00 C ATOM 0 H LEU A 74 -5.354 2.663 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.219 0.724 -5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.542 1.170 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.852 0.009 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.366 2.934 -6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.056 3.162 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.103 2.818 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.686 1.526 -6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.818 2.294 -8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.518 0.624 -8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.153 1.317 -7.905 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.563 -1.211 -4.368 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.844 -2.345 -3.495 1.00 0.00 C ATOM 1076 C LYS A 75 -5.763 -3.413 -3.626 1.00 0.00 C ATOM 1077 O LYS A 75 -5.340 -3.772 -4.726 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.211 -2.946 -3.829 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.357 -1.956 -3.704 1.00 0.00 C ATOM 1080 CD LYS A 75 -10.584 -2.425 -4.467 1.00 0.00 C ATOM 1081 CE LYS A 75 -11.538 -1.273 -4.749 1.00 0.00 C ATOM 1082 NZ LYS A 75 -12.118 -0.714 -3.497 1.00 0.00 N ATOM 0 H LYS A 75 -6.972 -1.285 -5.300 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.853 -1.985 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.188 -3.336 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.398 -3.792 -3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.610 -1.822 -2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.042 -0.983 -4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.276 -2.883 -5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.100 -3.194 -3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.009 -0.486 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.342 -1.618 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.762 0.068 -3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.645 -1.458 -2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.353 -0.361 -2.887 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.304 -3.935 -2.479 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.267 -4.971 -2.440 1.00 0.00 C ATOM 1098 C PRO A 76 -4.768 -6.312 -2.964 1.00 0.00 C ATOM 1099 O PRO A 76 -5.661 -6.924 -2.379 1.00 0.00 O ATOM 1100 CB PRO A 76 -3.924 -5.073 -0.951 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.151 -4.606 -0.247 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.762 -3.555 -1.132 1.00 0.00 C ATOM 0 HA PRO A 76 -3.415 -4.719 -3.072 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.673 -6.096 -0.672 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.063 -4.453 -0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.845 -5.431 -0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.907 -4.197 0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.850 -3.554 -1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.425 -2.555 -0.860 1.00 0.00 H new