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+ 176:sc= -0.727 (180deg=-0.844) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -75:sc= 1.05 USER MOD Single : A 9 ASN : amide:sc= -0.88 K(o=-0.88,f=-0.21) USER MOD Single : A 10 GLN : amide:sc= -2.95! C(o=-3!,f=-2.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -154:sc= 0.845 USER MOD Single : A 25 HIS : no HD1:sc= -8.97! C(o=-9!,f=-6.7!) USER MOD Single : A 27 THR OG1 : rot 142:sc= -1.18 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.2! X(o=-2.2!,f=-1.7) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.099) 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= -1.05 X(o=-1,f=-1) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.468 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 14.189 -7.200 11.126 1.00 0.00 N ATOM 2 CA GLU A 1 15.029 -7.633 12.230 1.00 0.00 C ATOM 3 C GLU A 1 14.165 -8.130 13.390 1.00 0.00 C ATOM 4 O GLU A 1 14.499 -7.913 14.554 1.00 0.00 O ATOM 5 CB GLU A 1 15.961 -6.508 12.683 1.00 0.00 C ATOM 6 CG GLU A 1 17.138 -6.349 11.718 1.00 0.00 C ATOM 7 CD GLU A 1 18.473 -6.479 12.454 1.00 0.00 C ATOM 8 OE1 GLU A 1 18.949 -5.437 12.954 1.00 0.00 O ATOM 9 OE2 GLU A 1 18.986 -7.618 12.501 1.00 0.00 O ATOM 0 H1 GLU A 1 14.785 -6.802 10.372 1.00 0.00 H new ATOM 0 H2 GLU A 1 13.657 -8.013 10.755 1.00 0.00 H new ATOM 0 H3 GLU A 1 13.523 -6.474 11.460 1.00 0.00 H new ATOM 0 HA GLU A 1 15.651 -8.459 11.886 1.00 0.00 H new ATOM 0 HB2 GLU A 1 15.405 -5.572 12.742 1.00 0.00 H new ATOM 0 HB3 GLU A 1 16.334 -6.721 13.685 1.00 0.00 H new ATOM 0 HG2 GLU A 1 17.075 -7.105 10.935 1.00 0.00 H new ATOM 0 HG3 GLU A 1 17.082 -5.377 11.228 1.00 0.00 H new ATOM 16 N GLU A 2 13.072 -8.789 13.033 1.00 0.00 N ATOM 17 CA GLU A 2 12.158 -9.319 14.031 1.00 0.00 C ATOM 18 C GLU A 2 10.875 -9.817 13.363 1.00 0.00 C ATOM 19 O GLU A 2 10.574 -9.442 12.231 1.00 0.00 O ATOM 20 CB GLU A 2 11.848 -8.271 15.102 1.00 0.00 C ATOM 21 CG GLU A 2 12.324 -8.737 16.479 1.00 0.00 C ATOM 22 CD GLU A 2 12.347 -7.575 17.474 1.00 0.00 C ATOM 23 OE1 GLU A 2 11.242 -7.142 17.865 1.00 0.00 O ATOM 24 OE2 GLU A 2 13.469 -7.146 17.820 1.00 0.00 O ATOM 0 H GLU A 2 12.799 -8.968 12.067 1.00 0.00 H new ATOM 0 HA GLU A 2 12.639 -10.163 14.525 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.333 -7.329 14.845 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.775 -8.080 15.129 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.666 -9.523 16.848 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.321 -9.169 16.396 1.00 0.00 H new ATOM 31 N TYR A 3 10.153 -10.655 14.093 1.00 0.00 N ATOM 32 CA TYR A 3 8.909 -11.208 13.585 1.00 0.00 C ATOM 33 C TYR A 3 7.806 -10.148 13.564 1.00 0.00 C ATOM 34 O TYR A 3 7.083 -9.980 14.544 1.00 0.00 O ATOM 35 CB TYR A 3 8.513 -12.319 14.560 1.00 0.00 C ATOM 36 CG TYR A 3 7.138 -12.930 14.282 1.00 0.00 C ATOM 37 CD1 TYR A 3 6.865 -13.481 13.047 1.00 0.00 C ATOM 38 CD2 TYR A 3 6.171 -12.930 15.267 1.00 0.00 C ATOM 39 CE1 TYR A 3 5.571 -14.056 12.785 1.00 0.00 C ATOM 40 CE2 TYR A 3 4.877 -13.505 15.005 1.00 0.00 C ATOM 41 CZ TYR A 3 4.641 -14.040 13.777 1.00 0.00 C ATOM 42 OH TYR A 3 3.419 -14.583 13.530 1.00 0.00 O ATOM 0 H TYR A 3 10.406 -10.964 15.032 1.00 0.00 H new ATOM 0 HA TYR A 3 9.038 -11.572 12.566 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.264 -13.108 14.521 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.523 -11.919 15.574 1.00 0.00 H new ATOM 0 HD1 TYR A 3 7.622 -13.481 12.277 1.00 0.00 H new ATOM 0 HD2 TYR A 3 6.385 -12.499 16.234 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.344 -14.490 11.822 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.111 -13.511 15.766 1.00 0.00 H new ATOM 0 HH TYR A 3 2.857 -14.502 14.329 1.00 0.00 H new ATOM 52 N VAL A 4 7.711 -9.461 12.435 1.00 0.00 N ATOM 53 CA VAL A 4 6.709 -8.423 12.272 1.00 0.00 C ATOM 54 C VAL A 4 6.363 -8.281 10.789 1.00 0.00 C ATOM 55 O VAL A 4 7.251 -8.117 9.954 1.00 0.00 O ATOM 56 CB VAL A 4 7.202 -7.117 12.899 1.00 0.00 C ATOM 57 CG1 VAL A 4 6.329 -5.937 12.466 1.00 0.00 C ATOM 58 CG2 VAL A 4 7.258 -7.227 14.424 1.00 0.00 C ATOM 0 H VAL A 4 8.313 -9.604 11.624 1.00 0.00 H new ATOM 0 HA VAL A 4 5.791 -8.693 12.795 1.00 0.00 H new ATOM 0 HB VAL A 4 8.215 -6.935 12.539 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.701 -5.021 12.926 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.363 -5.838 11.381 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.300 -6.110 12.783 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.612 -6.285 14.844 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.262 -7.445 14.810 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.940 -8.029 14.706 1.00 0.00 H new ATOM 68 N GLY A 5 5.070 -8.349 10.506 1.00 0.00 N ATOM 69 CA GLY A 5 4.597 -8.230 9.137 1.00 0.00 C ATOM 70 C GLY A 5 3.555 -7.116 9.012 1.00 0.00 C ATOM 71 O GLY A 5 3.056 -6.847 7.921 1.00 0.00 O ATOM 0 H GLY A 5 4.336 -8.485 11.201 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.438 -8.023 8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.163 -9.177 8.815 1.00 0.00 H new ATOM 75 N LEU A 6 3.257 -6.498 10.146 1.00 0.00 N ATOM 76 CA LEU A 6 2.284 -5.420 10.178 1.00 0.00 C ATOM 77 C LEU A 6 3.005 -4.095 10.432 1.00 0.00 C ATOM 78 O LEU A 6 4.226 -4.067 10.579 1.00 0.00 O ATOM 79 CB LEU A 6 1.180 -5.724 11.192 1.00 0.00 C ATOM 80 CG LEU A 6 1.648 -6.177 12.577 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.102 -7.638 12.551 1.00 0.00 C ATOM 82 CD2 LEU A 6 2.735 -5.248 13.119 1.00 0.00 C ATOM 0 H LEU A 6 3.673 -6.724 11.050 1.00 0.00 H new ATOM 0 HA LEU A 6 1.783 -5.331 9.214 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.568 -4.830 11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.536 -6.499 10.777 1.00 0.00 H new ATOM 0 HG LEU A 6 0.802 -6.115 13.261 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.430 -7.935 13.547 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.272 -8.271 12.238 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.928 -7.750 11.849 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.050 -5.592 14.104 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.589 -5.254 12.442 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.342 -4.235 13.197 1.00 0.00 H new ATOM 94 N SER A 7 2.219 -3.029 10.478 1.00 0.00 N ATOM 95 CA SER A 7 2.768 -1.704 10.712 1.00 0.00 C ATOM 96 C SER A 7 3.410 -1.169 9.431 1.00 0.00 C ATOM 97 O SER A 7 3.139 -1.670 8.340 1.00 0.00 O ATOM 98 CB SER A 7 3.791 -1.725 11.849 1.00 0.00 C ATOM 99 OG SER A 7 5.114 -1.957 11.373 1.00 0.00 O ATOM 0 H SER A 7 1.207 -3.056 10.357 1.00 0.00 H new ATOM 0 HA SER A 7 1.952 -1.043 11.005 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.759 -0.775 12.383 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.522 -2.502 12.565 1.00 0.00 H new ATOM 0 HG SER A 7 5.216 -2.903 11.138 1.00 0.00 H new ATOM 105 N ALA A 8 4.249 -0.159 9.604 1.00 0.00 N ATOM 106 CA ALA A 8 4.932 0.449 8.475 1.00 0.00 C ATOM 107 C ALA A 8 5.837 -0.590 7.811 1.00 0.00 C ATOM 108 O ALA A 8 5.994 -0.594 6.591 1.00 0.00 O ATOM 109 CB ALA A 8 5.708 1.680 8.950 1.00 0.00 C ATOM 0 H ALA A 8 4.472 0.254 10.510 1.00 0.00 H new ATOM 0 HA ALA A 8 4.213 0.785 7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.220 2.136 8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.016 2.400 9.386 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.441 1.381 9.699 1.00 0.00 H new ATOM 115 N ASN A 9 6.409 -1.448 8.644 1.00 0.00 N ATOM 116 CA ASN A 9 7.294 -2.491 8.153 1.00 0.00 C ATOM 117 C ASN A 9 6.771 -3.008 6.811 1.00 0.00 C ATOM 118 O ASN A 9 7.552 -3.414 5.952 1.00 0.00 O ATOM 119 CB ASN A 9 7.348 -3.670 9.126 1.00 0.00 C ATOM 120 CG ASN A 9 8.203 -4.807 8.562 1.00 0.00 C ATOM 121 OD1 ASN A 9 9.389 -4.917 8.827 1.00 0.00 O ATOM 122 ND2 ASN A 9 7.537 -5.644 7.772 1.00 0.00 N ATOM 0 H ASN A 9 6.277 -1.442 9.655 1.00 0.00 H new ATOM 0 HA ASN A 9 8.292 -2.065 8.047 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.759 -3.340 10.080 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.338 -4.032 9.321 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.019 -6.436 7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.544 -5.494 7.592 1.00 0.00 H new ATOM 129 N GLN A 10 5.454 -2.976 6.674 1.00 0.00 N ATOM 130 CA GLN A 10 4.818 -3.437 5.452 1.00 0.00 C ATOM 131 C GLN A 10 4.734 -2.297 4.435 1.00 0.00 C ATOM 132 O GLN A 10 5.092 -2.471 3.271 1.00 0.00 O ATOM 133 CB GLN A 10 3.432 -4.017 5.740 1.00 0.00 C ATOM 134 CG GLN A 10 3.033 -5.040 4.674 1.00 0.00 C ATOM 135 CD GLN A 10 2.858 -6.431 5.287 1.00 0.00 C ATOM 136 OE1 GLN A 10 3.742 -7.271 5.247 1.00 0.00 O ATOM 137 NE2 GLN A 10 1.671 -6.626 5.855 1.00 0.00 N ATOM 0 H GLN A 10 4.810 -2.638 7.389 1.00 0.00 H new ATOM 0 HA GLN A 10 5.428 -4.234 5.027 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.429 -4.490 6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.697 -3.213 5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.104 -4.729 4.197 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.795 -5.075 3.895 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.976 -5.880 5.853 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.456 -7.522 6.292 1.00 0.00 H new ATOM 146 N CYS A 11 4.260 -1.155 4.911 1.00 0.00 N ATOM 147 CA CYS A 11 4.125 0.013 4.058 1.00 0.00 C ATOM 148 C CYS A 11 5.137 1.064 4.519 1.00 0.00 C ATOM 149 O CYS A 11 4.791 2.232 4.688 1.00 0.00 O ATOM 150 CB CYS A 11 2.694 0.557 4.065 1.00 0.00 C ATOM 151 SG CYS A 11 1.401 -0.690 4.414 1.00 0.00 S ATOM 0 H CYS A 11 3.965 -1.014 5.877 1.00 0.00 H new ATOM 0 HA CYS A 11 4.334 -0.263 3.024 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.625 1.350 4.810 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.488 1.012 3.096 1.00 0.00 H new ATOM 156 N ALA A 12 6.367 0.611 4.708 1.00 0.00 N ATOM 157 CA ALA A 12 7.432 1.497 5.146 1.00 0.00 C ATOM 158 C ALA A 12 8.470 1.630 4.030 1.00 0.00 C ATOM 159 O ALA A 12 9.664 1.446 4.263 1.00 0.00 O ATOM 160 CB ALA A 12 8.038 0.965 6.446 1.00 0.00 C ATOM 0 H ALA A 12 6.650 -0.359 4.566 1.00 0.00 H new ATOM 0 HA ALA A 12 7.041 2.493 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.837 1.630 6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.266 0.918 7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.443 -0.033 6.277 1.00 0.00 H new ATOM 166 N VAL A 13 7.978 1.949 2.842 1.00 0.00 N ATOM 167 CA VAL A 13 8.848 2.109 1.690 1.00 0.00 C ATOM 168 C VAL A 13 9.289 3.570 1.587 1.00 0.00 C ATOM 169 O VAL A 13 8.556 4.473 1.989 1.00 0.00 O ATOM 170 CB VAL A 13 8.143 1.607 0.428 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.118 0.864 -0.487 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.944 0.726 0.783 1.00 0.00 C ATOM 0 H VAL A 13 6.987 2.101 2.653 1.00 0.00 H new ATOM 0 HA VAL A 13 9.748 1.506 1.805 1.00 0.00 H new ATOM 0 HB VAL A 13 7.771 2.476 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.591 0.518 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.924 1.536 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.535 0.008 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.461 0.383 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.283 -0.135 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.232 1.301 1.375 1.00 0.00 H new ATOM 182 N PRO A 14 10.517 3.763 1.034 1.00 0.00 N ATOM 183 CA PRO A 14 11.064 5.099 0.874 1.00 0.00 C ATOM 184 C PRO A 14 10.388 5.834 -0.285 1.00 0.00 C ATOM 185 O PRO A 14 10.741 6.970 -0.596 1.00 0.00 O ATOM 186 CB PRO A 14 12.554 4.891 0.657 1.00 0.00 C ATOM 187 CG PRO A 14 12.715 3.438 0.240 1.00 0.00 C ATOM 188 CD PRO A 14 11.412 2.718 0.548 1.00 0.00 C ATOM 0 HA PRO A 14 10.886 5.733 1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.934 5.563 -0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.114 5.100 1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.947 3.369 -0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.543 2.976 0.778 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.008 2.233 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.557 1.940 1.298 1.00 0.00 H new ATOM 196 N ALA A 15 9.426 5.155 -0.894 1.00 0.00 N ATOM 197 CA ALA A 15 8.697 5.728 -2.012 1.00 0.00 C ATOM 198 C ALA A 15 9.443 5.421 -3.312 1.00 0.00 C ATOM 199 O ALA A 15 8.837 5.368 -4.382 1.00 0.00 O ATOM 200 CB ALA A 15 8.514 7.230 -1.786 1.00 0.00 C ATOM 0 H ALA A 15 9.135 4.213 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 15 7.703 5.286 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.967 7.660 -2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.954 7.394 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.491 7.708 -1.707 1.00 0.00 H new ATOM 206 N LYS A 16 10.746 5.227 -3.178 1.00 0.00 N ATOM 207 CA LYS A 16 11.580 4.927 -4.329 1.00 0.00 C ATOM 208 C LYS A 16 11.618 3.412 -4.545 1.00 0.00 C ATOM 209 O LYS A 16 12.409 2.916 -5.346 1.00 0.00 O ATOM 210 CB LYS A 16 12.964 5.560 -4.168 1.00 0.00 C ATOM 211 CG LYS A 16 13.722 4.930 -2.997 1.00 0.00 C ATOM 212 CD LYS A 16 14.329 3.584 -3.398 1.00 0.00 C ATOM 213 CE LYS A 16 15.756 3.445 -2.863 1.00 0.00 C ATOM 214 NZ LYS A 16 15.768 2.635 -1.624 1.00 0.00 N ATOM 0 H LYS A 16 11.245 5.272 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 16 11.156 5.368 -5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.536 5.432 -5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.860 6.633 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.511 5.604 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.046 4.791 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.711 2.773 -3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.333 3.492 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.389 2.977 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.174 4.432 -2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.744 2.550 -1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.180 3.097 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.389 1.688 -1.825 1.00 0.00 H new ATOM 228 N ASP A 17 10.754 2.721 -3.816 1.00 0.00 N ATOM 229 CA ASP A 17 10.679 1.274 -3.918 1.00 0.00 C ATOM 230 C ASP A 17 9.212 0.849 -4.016 1.00 0.00 C ATOM 231 O ASP A 17 8.876 -0.302 -3.744 1.00 0.00 O ATOM 232 CB ASP A 17 11.284 0.603 -2.683 1.00 0.00 C ATOM 233 CG ASP A 17 12.474 -0.317 -2.965 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.280 -1.273 -3.746 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.551 -0.043 -2.393 1.00 0.00 O ATOM 0 H ASP A 17 10.100 3.136 -3.152 1.00 0.00 H new ATOM 0 HA ASP A 17 11.236 0.969 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.601 1.378 -1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.506 0.024 -2.185 1.00 0.00 H new ATOM 240 N ARG A 18 8.378 1.803 -4.405 1.00 0.00 N ATOM 241 CA ARG A 18 6.955 1.542 -4.542 1.00 0.00 C ATOM 242 C ARG A 18 6.682 0.743 -5.818 1.00 0.00 C ATOM 243 O ARG A 18 7.090 1.146 -6.906 1.00 0.00 O ATOM 244 CB ARG A 18 6.158 2.847 -4.585 1.00 0.00 C ATOM 245 CG ARG A 18 6.675 3.841 -3.543 1.00 0.00 C ATOM 246 CD ARG A 18 6.048 3.575 -2.173 1.00 0.00 C ATOM 247 NE ARG A 18 5.662 4.855 -1.537 1.00 0.00 N ATOM 248 CZ ARG A 18 5.557 5.033 -0.213 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.807 4.016 0.623 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.201 6.229 0.276 1.00 0.00 N ATOM 0 H ARG A 18 8.660 2.757 -4.629 1.00 0.00 H new ATOM 0 HA ARG A 18 6.638 0.964 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.229 3.288 -5.579 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.104 2.639 -4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.760 3.766 -3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.446 4.858 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.172 2.935 -2.282 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.755 3.042 -1.537 1.00 0.00 H new ATOM 0 HE ARG A 18 5.464 5.650 -2.144 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.078 3.105 0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.727 4.153 1.631 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.010 7.004 -0.360 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.121 6.365 1.284 1.00 0.00 H new ATOM 264 N VAL A 19 5.994 -0.376 -5.641 1.00 0.00 N ATOM 265 CA VAL A 19 5.662 -1.235 -6.765 1.00 0.00 C ATOM 266 C VAL A 19 4.347 -0.765 -7.389 1.00 0.00 C ATOM 267 O VAL A 19 3.904 -1.312 -8.398 1.00 0.00 O ATOM 268 CB VAL A 19 5.621 -2.696 -6.313 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.371 -3.630 -7.498 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.906 -3.078 -5.576 1.00 0.00 C ATOM 0 H VAL A 19 5.658 -0.707 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 19 6.430 -1.169 -7.536 1.00 0.00 H new ATOM 0 HB VAL A 19 4.789 -2.808 -5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.347 -4.662 -7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.417 -3.381 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.171 -3.513 -8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.851 -4.121 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.760 -2.941 -6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.024 -2.444 -4.697 1.00 0.00 H new ATOM 280 N ASP A 20 3.759 0.244 -6.764 1.00 0.00 N ATOM 281 CA ASP A 20 2.503 0.793 -7.245 1.00 0.00 C ATOM 282 C ASP A 20 1.598 -0.348 -7.714 1.00 0.00 C ATOM 283 O ASP A 20 1.657 -0.755 -8.874 1.00 0.00 O ATOM 284 CB ASP A 20 2.731 1.733 -8.431 1.00 0.00 C ATOM 285 CG ASP A 20 1.482 2.051 -9.254 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.773 3.005 -8.865 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.263 1.334 -10.254 1.00 0.00 O ATOM 0 H ASP A 20 4.129 0.696 -5.928 1.00 0.00 H new ATOM 0 HA ASP A 20 2.043 1.348 -6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.150 2.668 -8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.478 1.289 -9.089 1.00 0.00 H new ATOM 292 N CYS A 21 0.783 -0.833 -6.789 1.00 0.00 N ATOM 293 CA CYS A 21 -0.133 -1.919 -7.093 1.00 0.00 C ATOM 294 C CYS A 21 -1.184 -1.400 -8.076 1.00 0.00 C ATOM 295 O CYS A 21 -1.886 -2.185 -8.712 1.00 0.00 O ATOM 296 CB CYS A 21 -0.770 -2.493 -5.826 1.00 0.00 C ATOM 297 SG CYS A 21 -0.666 -1.409 -4.356 1.00 0.00 S ATOM 0 H CYS A 21 0.738 -0.494 -5.828 1.00 0.00 H new ATOM 0 HA CYS A 21 0.415 -2.743 -7.550 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.819 -2.707 -6.029 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.290 -3.444 -5.594 1.00 0.00 H new ATOM 302 N GLY A 22 -1.260 -0.081 -8.170 1.00 0.00 N ATOM 303 CA GLY A 22 -2.214 0.552 -9.064 1.00 0.00 C ATOM 304 C GLY A 22 -3.642 0.410 -8.533 1.00 0.00 C ATOM 305 O GLY A 22 -4.246 -0.656 -8.643 1.00 0.00 O ATOM 0 H GLY A 22 -0.676 0.567 -7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.967 1.608 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.144 0.102 -10.054 1.00 0.00 H new ATOM 309 N TYR A 23 -4.141 1.499 -7.968 1.00 0.00 N ATOM 310 CA TYR A 23 -5.486 1.509 -7.420 1.00 0.00 C ATOM 311 C TYR A 23 -6.177 2.848 -7.685 1.00 0.00 C ATOM 312 O TYR A 23 -5.532 3.895 -7.682 1.00 0.00 O ATOM 313 CB TYR A 23 -5.328 1.322 -5.909 1.00 0.00 C ATOM 314 CG TYR A 23 -5.246 -0.141 -5.469 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.389 -0.914 -5.426 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.030 -0.689 -5.115 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.313 -2.291 -5.012 1.00 0.00 C ATOM 318 CE2 TYR A 23 -3.954 -2.066 -4.700 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.099 -2.799 -4.669 1.00 0.00 C ATOM 320 OH TYR A 23 -5.027 -4.099 -4.278 1.00 0.00 O ATOM 0 H TYR A 23 -3.637 2.381 -7.878 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.092 0.727 -7.878 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.427 1.840 -5.581 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.170 1.796 -5.404 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.341 -0.486 -5.703 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.135 -0.085 -5.149 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.200 -2.906 -4.975 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.009 -2.507 -4.420 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.251 -4.222 -3.693 1.00 0.00 H new ATOM 330 N PRO A 24 -7.515 2.769 -7.916 1.00 0.00 N ATOM 331 CA PRO A 24 -8.301 3.962 -8.183 1.00 0.00 C ATOM 332 C PRO A 24 -8.534 4.763 -6.901 1.00 0.00 C ATOM 333 O PRO A 24 -7.815 5.721 -6.624 1.00 0.00 O ATOM 334 CB PRO A 24 -9.589 3.452 -8.808 1.00 0.00 C ATOM 335 CG PRO A 24 -9.676 1.979 -8.444 1.00 0.00 C ATOM 336 CD PRO A 24 -8.313 1.546 -7.928 1.00 0.00 C ATOM 0 HA PRO A 24 -7.797 4.657 -8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.451 4.000 -8.427 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.578 3.587 -9.890 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.441 1.818 -7.684 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.961 1.387 -9.314 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.387 1.112 -6.931 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.868 0.789 -8.573 1.00 0.00 H new ATOM 344 N HIS A 25 -9.543 4.341 -6.153 1.00 0.00 N ATOM 345 CA HIS A 25 -9.880 5.007 -4.906 1.00 0.00 C ATOM 346 C HIS A 25 -8.967 4.500 -3.789 1.00 0.00 C ATOM 347 O HIS A 25 -9.343 3.606 -3.032 1.00 0.00 O ATOM 348 CB HIS A 25 -11.366 4.834 -4.582 1.00 0.00 C ATOM 349 CG HIS A 25 -11.732 3.449 -4.104 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.859 3.193 -3.343 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.110 2.249 -4.288 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.903 1.894 -3.086 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.818 1.311 -3.671 1.00 0.00 N ATOM 0 H HIS A 25 -10.138 3.546 -6.386 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.712 6.079 -5.006 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.647 5.558 -3.817 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.951 5.067 -5.472 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.197 2.089 -4.842 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.665 1.386 -2.513 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.588 0.318 -3.640 1.00 0.00 H new ATOM 362 N VAL A 26 -7.783 5.091 -3.722 1.00 0.00 N ATOM 363 CA VAL A 26 -6.812 4.710 -2.710 1.00 0.00 C ATOM 364 C VAL A 26 -6.982 5.608 -1.483 1.00 0.00 C ATOM 365 O VAL A 26 -7.188 6.813 -1.615 1.00 0.00 O ATOM 366 CB VAL A 26 -5.400 4.759 -3.295 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.213 3.683 -4.367 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.084 6.149 -3.852 1.00 0.00 C ATOM 0 H VAL A 26 -7.474 5.831 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.980 3.683 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.696 4.554 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.201 3.740 -4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.375 2.699 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.930 3.843 -5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.074 6.156 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.796 6.396 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.156 6.886 -3.053 1.00 0.00 H new ATOM 378 N THR A 27 -6.889 4.986 -0.317 1.00 0.00 N ATOM 379 CA THR A 27 -7.030 5.714 0.933 1.00 0.00 C ATOM 380 C THR A 27 -6.252 5.013 2.049 1.00 0.00 C ATOM 381 O THR A 27 -5.779 3.892 1.871 1.00 0.00 O ATOM 382 CB THR A 27 -8.524 5.856 1.231 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.875 4.620 1.846 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.374 5.895 -0.041 1.00 0.00 C ATOM 0 H THR A 27 -6.718 3.986 -0.211 1.00 0.00 H new ATOM 0 HA THR A 27 -6.602 6.714 0.859 1.00 0.00 H new ATOM 0 HB THR A 27 -8.694 6.765 1.809 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.520 4.784 2.566 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.426 5.997 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.072 6.744 -0.654 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.230 4.972 -0.603 1.00 0.00 H new ATOM 392 N PRO A 28 -6.142 5.721 3.204 1.00 0.00 N ATOM 393 CA PRO A 28 -5.429 5.179 4.349 1.00 0.00 C ATOM 394 C PRO A 28 -6.257 4.100 5.049 1.00 0.00 C ATOM 395 O PRO A 28 -6.271 4.022 6.277 1.00 0.00 O ATOM 396 CB PRO A 28 -5.143 6.379 5.238 1.00 0.00 C ATOM 397 CG PRO A 28 -6.104 7.468 4.791 1.00 0.00 C ATOM 398 CD PRO A 28 -6.689 7.052 3.451 1.00 0.00 C ATOM 0 HA PRO A 28 -4.502 4.678 4.069 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.295 6.132 6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.108 6.705 5.133 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.896 7.604 5.528 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.585 8.422 4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.778 7.032 3.484 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.406 7.749 2.662 1.00 0.00 H new ATOM 406 N LYS A 29 -6.927 3.294 4.239 1.00 0.00 N ATOM 407 CA LYS A 29 -7.756 2.223 4.765 1.00 0.00 C ATOM 408 C LYS A 29 -8.360 1.433 3.603 1.00 0.00 C ATOM 409 O LYS A 29 -8.386 0.204 3.630 1.00 0.00 O ATOM 410 CB LYS A 29 -8.797 2.780 5.738 1.00 0.00 C ATOM 411 CG LYS A 29 -9.203 1.725 6.770 1.00 0.00 C ATOM 412 CD LYS A 29 -10.292 0.806 6.214 1.00 0.00 C ATOM 413 CE LYS A 29 -11.686 1.346 6.543 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.727 0.375 6.138 1.00 0.00 N ATOM 0 H LYS A 29 -6.913 3.361 3.221 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.153 1.525 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.393 3.655 6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.676 3.111 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.332 1.133 7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.563 2.215 7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.179 0.715 5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.177 -0.194 6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.762 1.545 7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.846 2.294 6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.666 0.757 6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.664 0.205 5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.583 -0.521 6.647 1.00 0.00 H new ATOM 428 N GLU A 30 -8.832 2.172 2.609 1.00 0.00 N ATOM 429 CA GLU A 30 -9.435 1.556 1.439 1.00 0.00 C ATOM 430 C GLU A 30 -8.356 0.925 0.556 1.00 0.00 C ATOM 431 O GLU A 30 -8.534 -0.180 0.047 1.00 0.00 O ATOM 432 CB GLU A 30 -10.264 2.572 0.651 1.00 0.00 C ATOM 433 CG GLU A 30 -11.033 1.890 -0.482 1.00 0.00 C ATOM 434 CD GLU A 30 -12.529 2.197 -0.392 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.881 3.376 -0.617 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.287 1.247 -0.099 1.00 0.00 O ATOM 0 H GLU A 30 -8.809 3.192 2.590 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.109 0.768 1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.963 3.073 1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.609 3.341 0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.646 2.228 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.876 0.812 -0.436 1.00 0.00 H new ATOM 443 N CYS A 31 -7.261 1.655 0.403 1.00 0.00 N ATOM 444 CA CYS A 31 -6.154 1.180 -0.410 1.00 0.00 C ATOM 445 C CYS A 31 -5.524 -0.024 0.293 1.00 0.00 C ATOM 446 O CYS A 31 -5.058 -0.955 -0.362 1.00 0.00 O ATOM 447 CB CYS A 31 -5.130 2.287 -0.672 1.00 0.00 C ATOM 448 SG CYS A 31 -3.428 1.697 -0.995 1.00 0.00 S ATOM 0 H CYS A 31 -7.117 2.571 0.828 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.523 0.876 -1.390 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.463 2.876 -1.526 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.111 2.956 0.189 1.00 0.00 H new ATOM 453 N ASN A 32 -5.531 0.033 1.616 1.00 0.00 N ATOM 454 CA ASN A 32 -4.967 -1.042 2.415 1.00 0.00 C ATOM 455 C ASN A 32 -6.031 -2.119 2.638 1.00 0.00 C ATOM 456 O ASN A 32 -5.748 -3.165 3.219 1.00 0.00 O ATOM 457 CB ASN A 32 -4.515 -0.533 3.785 1.00 0.00 C ATOM 458 CG ASN A 32 -5.271 -1.241 4.910 1.00 0.00 C ATOM 459 OD1 ASN A 32 -4.721 -2.026 5.664 1.00 0.00 O ATOM 460 ND2 ASN A 32 -6.560 -0.921 4.981 1.00 0.00 N ATOM 0 H ASN A 32 -5.918 0.807 2.156 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.107 -1.444 1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.444 -0.697 3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.682 0.542 3.851 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.151 -1.341 5.699 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.958 -0.256 4.318 1.00 0.00 H new ATOM 467 N ASN A 33 -7.233 -1.825 2.165 1.00 0.00 N ATOM 468 CA ASN A 33 -8.341 -2.754 2.306 1.00 0.00 C ATOM 469 C ASN A 33 -8.509 -3.541 1.005 1.00 0.00 C ATOM 470 O ASN A 33 -8.776 -4.741 1.031 1.00 0.00 O ATOM 471 CB ASN A 33 -9.650 -2.013 2.583 1.00 0.00 C ATOM 472 CG ASN A 33 -10.847 -2.962 2.497 1.00 0.00 C ATOM 473 OD1 ASN A 33 -11.490 -3.100 1.470 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.108 -3.607 3.631 1.00 0.00 N ATOM 0 H ASN A 33 -7.464 -0.956 1.683 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.120 -3.418 3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.612 -1.559 3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.772 -1.202 1.865 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.887 -4.264 3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.529 -3.445 4.455 1.00 0.00 H new ATOM 481 N ARG A 34 -8.347 -2.832 -0.103 1.00 0.00 N ATOM 482 CA ARG A 34 -8.478 -3.450 -1.412 1.00 0.00 C ATOM 483 C ARG A 34 -7.485 -4.604 -1.556 1.00 0.00 C ATOM 484 O ARG A 34 -7.692 -5.510 -2.363 1.00 0.00 O ATOM 485 CB ARG A 34 -8.232 -2.432 -2.528 1.00 0.00 C ATOM 486 CG ARG A 34 -9.175 -2.674 -3.708 1.00 0.00 C ATOM 487 CD ARG A 34 -10.633 -2.718 -3.245 1.00 0.00 C ATOM 488 NE ARG A 34 -11.516 -2.175 -4.300 1.00 0.00 N ATOM 489 CZ ARG A 34 -12.842 -2.029 -4.169 1.00 0.00 C ATOM 490 NH1 ARG A 34 -13.445 -2.385 -3.027 1.00 0.00 N ATOM 491 NH2 ARG A 34 -13.564 -1.527 -5.180 1.00 0.00 N ATOM 0 H ARG A 34 -8.126 -1.836 -0.121 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.496 -3.830 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.377 -1.423 -2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.198 -2.499 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.048 -1.883 -4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.917 -3.613 -4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.919 -3.744 -3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.750 -2.140 -2.329 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.089 -1.894 -5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.895 -2.767 -2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.454 -2.274 -2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.105 -1.256 -6.049 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.573 -1.416 -5.080 1.00 0.00 H new ATOM 505 N GLY A 35 -6.426 -4.535 -0.762 1.00 0.00 N ATOM 506 CA GLY A 35 -5.400 -5.564 -0.791 1.00 0.00 C ATOM 507 C GLY A 35 -4.059 -4.987 -1.248 1.00 0.00 C ATOM 508 O GLY A 35 -3.620 -5.240 -2.369 1.00 0.00 O ATOM 0 H GLY A 35 -6.256 -3.782 -0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.292 -6.003 0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.703 -6.366 -1.464 1.00 0.00 H new ATOM 512 N CYS A 36 -3.445 -4.224 -0.356 1.00 0.00 N ATOM 513 CA CYS A 36 -2.162 -3.609 -0.654 1.00 0.00 C ATOM 514 C CYS A 36 -1.808 -2.657 0.490 1.00 0.00 C ATOM 515 O CYS A 36 -2.276 -2.831 1.614 1.00 0.00 O ATOM 516 CB CYS A 36 -2.178 -2.894 -2.007 1.00 0.00 C ATOM 517 SG CYS A 36 -0.754 -3.275 -3.092 1.00 0.00 S ATOM 0 H CYS A 36 -3.812 -4.017 0.573 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.396 -4.380 -0.734 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.097 -3.158 -2.531 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.207 -1.818 -1.834 1.00 0.00 H new ATOM 522 N CYS A 37 -0.985 -1.672 0.165 1.00 0.00 N ATOM 523 CA CYS A 37 -0.563 -0.692 1.151 1.00 0.00 C ATOM 524 C CYS A 37 -0.882 0.703 0.610 1.00 0.00 C ATOM 525 O CYS A 37 -0.860 0.923 -0.600 1.00 0.00 O ATOM 526 CB CYS A 37 0.919 -0.844 1.501 1.00 0.00 C ATOM 527 SG CYS A 37 1.269 -2.008 2.869 1.00 0.00 S ATOM 0 H CYS A 37 -0.598 -1.531 -0.768 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.107 -0.852 2.082 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.455 -1.178 0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.318 0.135 1.765 1.00 0.00 H new ATOM 532 N PHE A 38 -1.170 1.609 1.533 1.00 0.00 N ATOM 533 CA PHE A 38 -1.493 2.977 1.163 1.00 0.00 C ATOM 534 C PHE A 38 -0.440 3.951 1.694 1.00 0.00 C ATOM 535 O PHE A 38 0.458 3.557 2.437 1.00 0.00 O ATOM 536 CB PHE A 38 -2.844 3.306 1.802 1.00 0.00 C ATOM 537 CG PHE A 38 -3.259 4.772 1.660 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.896 5.191 0.534 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.990 5.655 2.659 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.282 6.552 0.402 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.376 7.015 2.526 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.013 7.435 1.401 1.00 0.00 C ATOM 0 H PHE A 38 -1.186 1.423 2.536 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.523 3.072 0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.611 2.677 1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.805 3.051 2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.108 4.490 -0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.483 5.322 3.553 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.789 6.885 -0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.163 7.716 3.319 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.305 8.470 1.300 1.00 0.00 H new ATOM 552 N ASP A 39 -0.584 5.206 1.292 1.00 0.00 N ATOM 553 CA ASP A 39 0.343 6.240 1.718 1.00 0.00 C ATOM 554 C ASP A 39 -0.105 7.587 1.148 1.00 0.00 C ATOM 555 O ASP A 39 -0.571 7.660 0.012 1.00 0.00 O ATOM 556 CB ASP A 39 1.757 5.956 1.206 1.00 0.00 C ATOM 557 CG ASP A 39 2.756 7.099 1.398 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.237 7.246 2.542 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.014 7.801 0.397 1.00 0.00 O ATOM 0 H ASP A 39 -1.329 5.530 0.675 1.00 0.00 H new ATOM 0 HA ASP A 39 0.351 6.258 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.140 5.070 1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.701 5.717 0.144 1.00 0.00 H new ATOM 564 N SER A 40 0.053 8.620 1.963 1.00 0.00 N ATOM 565 CA SER A 40 -0.329 9.961 1.554 1.00 0.00 C ATOM 566 C SER A 40 0.795 10.947 1.875 1.00 0.00 C ATOM 567 O SER A 40 0.585 12.159 1.867 1.00 0.00 O ATOM 568 CB SER A 40 -1.628 10.396 2.236 1.00 0.00 C ATOM 569 OG SER A 40 -1.472 10.524 3.647 1.00 0.00 O ATOM 0 H SER A 40 0.440 8.555 2.904 1.00 0.00 H new ATOM 0 HA SER A 40 -0.500 9.954 0.478 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.955 11.349 1.819 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.411 9.669 2.022 1.00 0.00 H new ATOM 0 HG SER A 40 -2.322 10.805 4.046 1.00 0.00 H new ATOM 575 N ARG A 41 1.966 10.390 2.151 1.00 0.00 N ATOM 576 CA ARG A 41 3.124 11.206 2.475 1.00 0.00 C ATOM 577 C ARG A 41 3.474 12.121 1.300 1.00 0.00 C ATOM 578 O ARG A 41 3.660 13.324 1.480 1.00 0.00 O ATOM 579 CB ARG A 41 4.335 10.333 2.812 1.00 0.00 C ATOM 580 CG ARG A 41 5.200 10.988 3.891 1.00 0.00 C ATOM 581 CD ARG A 41 6.687 10.865 3.552 1.00 0.00 C ATOM 582 NE ARG A 41 7.248 12.199 3.244 1.00 0.00 N ATOM 583 CZ ARG A 41 7.595 13.100 4.173 1.00 0.00 C ATOM 584 NH1 ARG A 41 7.440 12.816 5.474 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.097 14.286 3.802 1.00 0.00 N ATOM 0 H ARG A 41 2.137 9.384 2.157 1.00 0.00 H new ATOM 0 HA ARG A 41 2.872 11.810 3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.998 9.355 3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.930 10.168 1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.931 12.040 3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.003 10.518 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.224 10.420 4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.820 10.200 2.699 1.00 0.00 H new ATOM 0 HE ARG A 41 7.379 12.448 2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.058 11.914 5.757 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.704 13.502 6.181 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.215 14.503 2.812 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.361 14.972 4.509 1.00 0.00 H new ATOM 599 N ILE A 42 3.554 11.517 0.124 1.00 0.00 N ATOM 600 CA ILE A 42 3.878 12.263 -1.080 1.00 0.00 C ATOM 601 C ILE A 42 3.055 11.719 -2.249 1.00 0.00 C ATOM 602 O ILE A 42 2.960 10.506 -2.435 1.00 0.00 O ATOM 603 CB ILE A 42 5.388 12.246 -1.330 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.046 11.054 -0.632 1.00 0.00 C ATOM 605 CG2 ILE A 42 6.026 13.574 -0.921 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.500 9.731 -1.172 1.00 0.00 C ATOM 0 H ILE A 42 3.400 10.519 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 42 3.609 13.313 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 42 5.556 12.125 -2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.125 11.093 -0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.868 11.113 0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.099 13.535 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.585 14.384 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.850 13.751 0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.985 8.901 -0.659 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.424 9.685 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.701 9.664 -2.241 1.00 0.00 H new ATOM 618 N PRO A 43 2.465 12.666 -3.027 1.00 0.00 N ATOM 619 CA PRO A 43 1.653 12.294 -4.173 1.00 0.00 C ATOM 620 C PRO A 43 2.529 11.832 -5.339 1.00 0.00 C ATOM 621 O PRO A 43 2.157 10.922 -6.078 1.00 0.00 O ATOM 622 CB PRO A 43 0.839 13.535 -4.497 1.00 0.00 C ATOM 623 CG PRO A 43 1.556 14.693 -3.822 1.00 0.00 C ATOM 624 CD PRO A 43 2.556 14.110 -2.837 1.00 0.00 C ATOM 0 HA PRO A 43 0.999 11.447 -3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.775 13.690 -5.574 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.182 13.440 -4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.065 15.311 -4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.842 15.336 -3.306 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.565 14.473 -3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.312 14.391 -1.812 1.00 0.00 H new ATOM 632 N GLY A 44 3.677 12.481 -5.468 1.00 0.00 N ATOM 633 CA GLY A 44 4.609 12.149 -6.532 1.00 0.00 C ATOM 634 C GLY A 44 4.687 10.635 -6.739 1.00 0.00 C ATOM 635 O GLY A 44 4.628 10.155 -7.871 1.00 0.00 O ATOM 0 H GLY A 44 3.983 13.235 -4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.296 12.631 -7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.598 12.538 -6.289 1.00 0.00 H new ATOM 639 N VAL A 45 4.819 9.924 -5.629 1.00 0.00 N ATOM 640 CA VAL A 45 4.906 8.474 -5.675 1.00 0.00 C ATOM 641 C VAL A 45 3.495 7.882 -5.660 1.00 0.00 C ATOM 642 O VAL A 45 2.519 8.601 -5.452 1.00 0.00 O ATOM 643 CB VAL A 45 5.780 7.966 -4.526 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.852 8.993 -4.157 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.927 7.601 -3.309 1.00 0.00 C ATOM 0 H VAL A 45 4.868 10.325 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 45 5.385 8.149 -6.599 1.00 0.00 H new ATOM 0 HB VAL A 45 6.286 7.062 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.459 8.607 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.488 9.182 -5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.374 9.923 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.572 7.243 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.381 8.481 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.219 6.818 -3.582 1.00 0.00 H new ATOM 655 N PRO A 46 3.431 6.543 -5.889 1.00 0.00 N ATOM 656 CA PRO A 46 2.156 5.846 -5.904 1.00 0.00 C ATOM 657 C PRO A 46 1.614 5.664 -4.485 1.00 0.00 C ATOM 658 O PRO A 46 1.934 4.683 -3.815 1.00 0.00 O ATOM 659 CB PRO A 46 2.436 4.528 -6.607 1.00 0.00 C ATOM 660 CG PRO A 46 3.942 4.335 -6.545 1.00 0.00 C ATOM 661 CD PRO A 46 4.566 5.660 -6.139 1.00 0.00 C ATOM 0 HA PRO A 46 1.378 6.403 -6.427 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.916 3.705 -6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.088 4.554 -7.640 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.198 3.557 -5.826 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.326 4.013 -7.513 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.185 5.550 -5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.208 6.054 -6.927 1.00 0.00 H new ATOM 669 N TRP A 47 0.803 6.625 -4.068 1.00 0.00 N ATOM 670 CA TRP A 47 0.213 6.583 -2.740 1.00 0.00 C ATOM 671 C TRP A 47 0.010 5.115 -2.360 1.00 0.00 C ATOM 672 O TRP A 47 0.444 4.681 -1.294 1.00 0.00 O ATOM 673 CB TRP A 47 -1.080 7.399 -2.688 1.00 0.00 C ATOM 674 CG TRP A 47 -0.877 8.862 -2.291 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.211 9.623 -2.471 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.838 9.716 -1.634 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.023 10.899 -1.981 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.263 10.958 -1.456 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.150 9.448 -1.205 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.926 12.029 -0.845 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.799 10.529 -0.597 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.234 11.785 -0.409 1.00 0.00 C ATOM 0 H TRP A 47 0.540 7.437 -4.626 1.00 0.00 H new ATOM 0 HA TRP A 47 0.876 7.044 -2.008 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.560 7.362 -3.666 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.764 6.932 -1.979 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.121 9.280 -2.941 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.703 11.659 -2.000 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.620 8.484 -1.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.454 12.992 -0.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.810 10.376 -0.249 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.801 12.569 0.071 1.00 0.00 H new ATOM 693 N CYS A 48 -0.650 4.392 -3.252 1.00 0.00 N ATOM 694 CA CYS A 48 -0.916 2.982 -3.023 1.00 0.00 C ATOM 695 C CYS A 48 0.202 2.169 -3.678 1.00 0.00 C ATOM 696 O CYS A 48 0.491 2.344 -4.861 1.00 0.00 O ATOM 697 CB CYS A 48 -2.297 2.575 -3.542 1.00 0.00 C ATOM 698 SG CYS A 48 -3.008 1.087 -2.748 1.00 0.00 S ATOM 0 H CYS A 48 -1.009 4.756 -4.135 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.929 2.782 -1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.984 3.409 -3.399 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.229 2.399 -4.616 1.00 0.00 H new ATOM 703 N PHE A 49 0.802 1.297 -2.880 1.00 0.00 N ATOM 704 CA PHE A 49 1.882 0.457 -3.368 1.00 0.00 C ATOM 705 C PHE A 49 1.904 -0.887 -2.637 1.00 0.00 C ATOM 706 O PHE A 49 1.278 -1.038 -1.589 1.00 0.00 O ATOM 707 CB PHE A 49 3.189 1.200 -3.083 1.00 0.00 C ATOM 708 CG PHE A 49 3.282 1.776 -1.669 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.442 0.945 -0.604 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.206 3.120 -1.476 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.528 1.480 0.708 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.292 3.656 -0.164 1.00 0.00 C ATOM 713 CZ PHE A 49 3.452 2.824 0.900 1.00 0.00 C ATOM 0 H PHE A 49 0.560 1.155 -1.899 1.00 0.00 H new ATOM 0 HA PHE A 49 1.749 0.260 -4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.025 0.518 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.298 2.011 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.504 -0.122 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.080 3.780 -2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.654 0.820 1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.230 4.723 -0.011 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.519 3.231 1.898 1.00 0.00 H new ATOM 723 N LYS A 50 2.631 -1.829 -3.220 1.00 0.00 N ATOM 724 CA LYS A 50 2.742 -3.156 -2.638 1.00 0.00 C ATOM 725 C LYS A 50 3.480 -3.061 -1.301 1.00 0.00 C ATOM 726 O LYS A 50 4.131 -2.057 -1.017 1.00 0.00 O ATOM 727 CB LYS A 50 3.389 -4.124 -3.630 1.00 0.00 C ATOM 728 CG LYS A 50 2.533 -4.271 -4.890 1.00 0.00 C ATOM 729 CD LYS A 50 2.498 -5.725 -5.363 1.00 0.00 C ATOM 730 CE LYS A 50 2.737 -5.817 -6.871 1.00 0.00 C ATOM 731 NZ LYS A 50 1.659 -6.598 -7.520 1.00 0.00 N ATOM 0 H LYS A 50 3.149 -1.700 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 50 1.753 -3.564 -2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.382 -3.764 -3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.521 -5.098 -3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.519 -3.926 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.933 -3.637 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.258 -6.301 -4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.533 -6.168 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.778 -4.816 -7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.701 -6.287 -7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.836 -6.651 -8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.639 -7.559 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.744 -6.134 -7.351 1.00 0.00 H new ATOM 745 N PRO A 51 3.350 -4.149 -0.494 1.00 0.00 N ATOM 746 CA PRO A 51 3.997 -4.198 0.806 1.00 0.00 C ATOM 747 C PRO A 51 5.501 -4.442 0.661 1.00 0.00 C ATOM 748 O PRO A 51 5.918 -5.434 0.066 1.00 0.00 O ATOM 749 CB PRO A 51 3.285 -5.310 1.558 1.00 0.00 C ATOM 750 CG PRO A 51 2.586 -6.148 0.500 1.00 0.00 C ATOM 751 CD PRO A 51 2.587 -5.356 -0.798 1.00 0.00 C ATOM 0 HA PRO A 51 3.921 -3.256 1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.993 -5.912 2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.568 -4.903 2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.100 -7.100 0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.565 -6.377 0.807 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.048 -5.922 -1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.573 -5.114 -1.115 1.00 0.00 H new ATOM 759 N LEU A 52 6.274 -3.519 1.215 1.00 0.00 N ATOM 760 CA LEU A 52 7.722 -3.621 1.156 1.00 0.00 C ATOM 761 C LEU A 52 8.129 -5.094 1.241 1.00 0.00 C ATOM 762 O LEU A 52 7.684 -5.814 2.134 1.00 0.00 O ATOM 763 CB LEU A 52 8.366 -2.742 2.229 1.00 0.00 C ATOM 764 CG LEU A 52 9.860 -2.965 2.472 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.445 -1.856 3.347 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.118 -4.355 3.058 1.00 0.00 C ATOM 0 H LEU A 52 5.924 -2.697 1.707 1.00 0.00 H new ATOM 0 HA LEU A 52 8.092 -3.242 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.215 -1.698 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.837 -2.904 3.168 1.00 0.00 H new ATOM 0 HG LEU A 52 10.373 -2.920 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.508 -2.039 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.312 -0.894 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.933 -1.843 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.187 -4.488 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.591 -4.453 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.760 -5.115 2.364 1.00 0.00 H new ATOM 778 N GLN A 53 8.970 -5.498 0.301 1.00 0.00 N ATOM 779 CA GLN A 53 9.442 -6.871 0.259 1.00 0.00 C ATOM 780 C GLN A 53 10.255 -7.192 1.515 1.00 0.00 C ATOM 781 O GLN A 53 11.483 -7.232 1.470 1.00 0.00 O ATOM 782 CB GLN A 53 10.262 -7.131 -1.006 1.00 0.00 C ATOM 783 CG GLN A 53 11.194 -5.955 -1.307 1.00 0.00 C ATOM 784 CD GLN A 53 10.608 -5.056 -2.397 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.233 -5.500 -3.469 1.00 0.00 O ATOM 786 NE2 GLN A 53 10.550 -3.769 -2.064 1.00 0.00 N ATOM 0 H GLN A 53 9.337 -4.898 -0.438 1.00 0.00 H new ATOM 0 HA GLN A 53 8.575 -7.531 0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.848 -8.042 -0.883 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.592 -7.294 -1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.356 -5.374 -0.399 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.167 -6.330 -1.624 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.881 -3.464 -1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.174 -3.088 -2.724 1.00 0.00 H new ATOM 795 N GLU A 54 9.536 -7.412 2.606 1.00 0.00 N ATOM 796 CA GLU A 54 10.175 -7.728 3.872 1.00 0.00 C ATOM 797 C GLU A 54 11.212 -8.837 3.681 1.00 0.00 C ATOM 798 O GLU A 54 10.864 -9.964 3.332 1.00 0.00 O ATOM 799 CB GLU A 54 9.139 -8.123 4.926 1.00 0.00 C ATOM 800 CG GLU A 54 8.784 -9.607 4.817 1.00 0.00 C ATOM 801 CD GLU A 54 7.472 -9.912 5.545 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.460 -9.277 5.179 1.00 0.00 O ATOM 803 OE2 GLU A 54 7.513 -10.772 6.450 1.00 0.00 O ATOM 0 H GLU A 54 8.517 -7.378 2.639 1.00 0.00 H new ATOM 0 HA GLU A 54 10.687 -6.835 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.529 -7.911 5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.240 -7.520 4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.695 -9.887 3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.588 -10.209 5.241 1.00 0.00 H new ATOM 810 N ALA A 55 12.466 -8.478 3.918 1.00 0.00 N ATOM 811 CA ALA A 55 13.556 -9.429 3.776 1.00 0.00 C ATOM 812 C ALA A 55 14.770 -8.926 4.560 1.00 0.00 C ATOM 813 O ALA A 55 15.873 -8.850 4.022 1.00 0.00 O ATOM 814 CB ALA A 55 13.864 -9.634 2.292 1.00 0.00 C ATOM 0 H ALA A 55 12.751 -7.542 4.207 1.00 0.00 H new ATOM 0 HA ALA A 55 13.276 -10.399 4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.681 -10.347 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.978 -10.019 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.152 -8.682 1.845 1.00 0.00 H new ATOM 820 N GLU A 56 14.525 -8.596 5.820 1.00 0.00 N ATOM 821 CA GLU A 56 15.585 -8.103 6.684 1.00 0.00 C ATOM 822 C GLU A 56 16.518 -7.177 5.902 1.00 0.00 C ATOM 823 O GLU A 56 17.739 -7.268 6.030 1.00 0.00 O ATOM 824 CB GLU A 56 16.362 -9.261 7.313 1.00 0.00 C ATOM 825 CG GLU A 56 16.431 -9.112 8.834 1.00 0.00 C ATOM 826 CD GLU A 56 15.125 -9.566 9.490 1.00 0.00 C ATOM 827 OE1 GLU A 56 14.061 -9.144 8.987 1.00 0.00 O ATOM 828 OE2 GLU A 56 15.220 -10.325 10.478 1.00 0.00 O ATOM 0 H GLU A 56 13.609 -8.660 6.263 1.00 0.00 H new ATOM 0 HA GLU A 56 15.132 -7.531 7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.883 -10.206 7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.371 -9.293 6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.261 -9.701 9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.629 -8.072 9.092 1.00 0.00 H new ATOM 835 N CYS A 57 15.910 -6.307 5.110 1.00 0.00 N ATOM 836 CA CYS A 57 16.671 -5.365 4.308 1.00 0.00 C ATOM 837 C CYS A 57 16.165 -3.954 4.614 1.00 0.00 C ATOM 838 O CYS A 57 15.196 -3.785 5.353 1.00 0.00 O ATOM 839 CB CYS A 57 16.583 -5.691 2.816 1.00 0.00 C ATOM 840 SG CYS A 57 18.151 -5.492 1.892 1.00 0.00 S ATOM 0 H CYS A 57 14.898 -6.235 5.006 1.00 0.00 H new ATOM 0 HA CYS A 57 17.728 -5.435 4.566 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.239 -6.719 2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.827 -5.050 2.363 1.00 0.00 H new ATOM 0 HG CYS A 57 17.960 -5.796 0.643 1.00 0.00 H new ATOM 845 N THR A 58 16.843 -2.976 4.031 1.00 0.00 N ATOM 846 CA THR A 58 16.475 -1.585 4.232 1.00 0.00 C ATOM 847 C THR A 58 17.331 -0.674 3.351 1.00 0.00 C ATOM 848 O THR A 58 18.332 -1.112 2.787 1.00 0.00 O ATOM 849 CB THR A 58 16.596 -1.276 5.726 1.00 0.00 C ATOM 850 OG1 THR A 58 16.423 0.137 5.803 1.00 0.00 O ATOM 851 CG2 THR A 58 18.011 -1.507 6.259 1.00 0.00 C ATOM 0 H THR A 58 17.646 -3.120 3.419 1.00 0.00 H new ATOM 0 HA THR A 58 15.444 -1.400 3.930 1.00 0.00 H new ATOM 0 HB THR A 58 15.893 -1.895 6.283 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.485 0.424 6.738 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.042 -1.273 7.323 1.00 0.00 H new ATOM 0 HG22 THR A 58 18.291 -2.550 6.108 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.710 -0.863 5.726 1.00 0.00 H new ATOM 859 N PHE A 59 16.906 0.578 3.261 1.00 0.00 N ATOM 860 CA PHE A 59 17.621 1.555 2.458 1.00 0.00 C ATOM 861 C PHE A 59 19.134 1.369 2.587 1.00 0.00 C ATOM 862 O PHE A 59 19.805 1.023 1.616 1.00 0.00 O ATOM 863 CB PHE A 59 17.242 2.938 2.994 1.00 0.00 C ATOM 864 CG PHE A 59 18.264 4.031 2.674 1.00 0.00 C ATOM 865 CD1 PHE A 59 18.614 4.277 1.383 1.00 0.00 C ATOM 866 CD2 PHE A 59 18.821 4.756 3.680 1.00 0.00 C ATOM 867 CE1 PHE A 59 19.562 5.291 1.085 1.00 0.00 C ATOM 868 CE2 PHE A 59 19.769 5.771 3.382 1.00 0.00 C ATOM 869 CZ PHE A 59 20.120 6.017 2.091 1.00 0.00 C ATOM 0 H PHE A 59 16.075 0.938 3.731 1.00 0.00 H new ATOM 0 HA PHE A 59 17.356 1.439 1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 59 16.276 3.225 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.118 2.876 4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 59 18.171 3.701 0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 59 18.543 4.560 4.705 1.00 0.00 H new ATOM 0 HE1 PHE A 59 19.840 5.486 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 59 20.211 6.348 4.181 1.00 0.00 H new ATOM 0 HZ PHE A 59 20.841 6.788 1.865 1.00 0.00 H new TER 879 PHE A 59