USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 665 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN :FLIP amide:sc= -0.258 F(o=-1.6,f=-0.88) USER MOD Set 1.2: A 48 LYS NZ :NH3+ 158:sc= -0.617 (180deg=-1.8!) USER MOD Set 2.1: A 40 THR OG1 : rot 140:sc= -2.29! USER MOD Set 2.2: A 77 ASN : amide:sc= -7.08 K(o=-9.4,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -63:sc= 0.166 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl -158:sc= -0.207 (180deg=-0.785) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.46) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0143) USER MOD Single : A 36 HIS : no HE2:sc= -4.12! C(o=-4.1!,f=-4.5!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0461 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.402 K(o=-0.4,f=-2.2) USER MOD Single : A 63 SER OG : rot -57:sc= 0.0274 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 75:sc= 0.0533 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc=-0.000486 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.32) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 135:sc= -0.79 (180deg=-2.55!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.045 -18.702 -1.527 1.00 0.00 N ATOM 2 CA GLY A 1 -35.761 -18.052 -1.716 1.00 0.00 C ATOM 3 C GLY A 1 -34.613 -19.041 -1.772 1.00 0.00 C ATOM 4 O GLY A 1 -33.729 -19.025 -0.916 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.796 -17.984 -1.495 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.223 -19.355 -2.317 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.037 -19.234 -0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.783 -17.473 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.590 -17.348 -0.902 1.00 0.00 H new ATOM 8 N SER A 2 -34.628 -19.905 -2.781 1.00 0.00 N ATOM 9 CA SER A 2 -33.583 -20.910 -2.942 1.00 0.00 C ATOM 10 C SER A 2 -32.359 -20.314 -3.632 1.00 0.00 C ATOM 11 O SER A 2 -32.483 -19.489 -4.537 1.00 0.00 O ATOM 12 CB SER A 2 -34.109 -22.098 -3.749 1.00 0.00 C ATOM 13 OG SER A 2 -35.266 -22.652 -3.146 1.00 0.00 O ATOM 0 H SER A 2 -35.352 -19.930 -3.499 1.00 0.00 H new ATOM 0 HA SER A 2 -33.289 -21.255 -1.951 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.342 -21.777 -4.764 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.334 -22.861 -3.826 1.00 0.00 H new ATOM 0 HG SER A 2 -35.584 -23.409 -3.682 1.00 0.00 H new ATOM 19 N SER A 3 -31.177 -20.740 -3.197 1.00 0.00 N ATOM 20 CA SER A 3 -29.929 -20.247 -3.769 1.00 0.00 C ATOM 21 C SER A 3 -28.813 -21.274 -3.604 1.00 0.00 C ATOM 22 O SER A 3 -28.929 -22.213 -2.818 1.00 0.00 O ATOM 23 CB SER A 3 -29.526 -18.928 -3.106 1.00 0.00 C ATOM 24 OG SER A 3 -28.659 -18.182 -3.941 1.00 0.00 O ATOM 0 H SER A 3 -31.057 -21.425 -2.451 1.00 0.00 H new ATOM 0 HA SER A 3 -30.088 -20.077 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.418 -18.341 -2.885 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.034 -19.131 -2.155 1.00 0.00 H new ATOM 0 HG SER A 3 -28.417 -17.343 -3.496 1.00 0.00 H new ATOM 30 N GLY A 4 -27.731 -21.088 -4.354 1.00 0.00 N ATOM 31 CA GLY A 4 -26.609 -22.005 -4.278 1.00 0.00 C ATOM 32 C GLY A 4 -25.540 -21.700 -5.308 1.00 0.00 C ATOM 33 O GLY A 4 -25.664 -20.748 -6.079 1.00 0.00 O ATOM 0 H GLY A 4 -27.612 -20.319 -5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.172 -21.958 -3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.967 -23.025 -4.421 1.00 0.00 H new ATOM 37 N SER A 5 -24.485 -22.509 -5.322 1.00 0.00 N ATOM 38 CA SER A 5 -23.387 -22.318 -6.261 1.00 0.00 C ATOM 39 C SER A 5 -22.946 -20.857 -6.291 1.00 0.00 C ATOM 40 O SER A 5 -22.687 -20.297 -7.356 1.00 0.00 O ATOM 41 CB SER A 5 -23.804 -22.765 -7.664 1.00 0.00 C ATOM 42 OG SER A 5 -22.678 -22.887 -8.516 1.00 0.00 O ATOM 0 H SER A 5 -24.368 -23.303 -4.693 1.00 0.00 H new ATOM 0 HA SER A 5 -22.547 -22.927 -5.928 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.324 -23.721 -7.605 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.506 -22.045 -8.085 1.00 0.00 H new ATOM 0 HG SER A 5 -22.250 -22.012 -8.620 1.00 0.00 H new ATOM 48 N SER A 6 -22.863 -20.247 -5.114 1.00 0.00 N ATOM 49 CA SER A 6 -22.457 -18.850 -5.004 1.00 0.00 C ATOM 50 C SER A 6 -21.077 -18.636 -5.617 1.00 0.00 C ATOM 51 O SER A 6 -20.890 -17.763 -6.464 1.00 0.00 O ATOM 52 CB SER A 6 -22.449 -18.414 -3.537 1.00 0.00 C ATOM 53 OG SER A 6 -23.730 -18.573 -2.951 1.00 0.00 O ATOM 0 H SER A 6 -23.071 -20.697 -4.223 1.00 0.00 H new ATOM 0 HA SER A 6 -23.177 -18.243 -5.553 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.717 -19.002 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.140 -17.371 -3.466 1.00 0.00 H new ATOM 0 HG SER A 6 -23.698 -18.289 -2.013 1.00 0.00 H new ATOM 59 N GLY A 7 -20.111 -19.440 -5.183 1.00 0.00 N ATOM 60 CA GLY A 7 -18.760 -19.323 -5.699 1.00 0.00 C ATOM 61 C GLY A 7 -17.756 -20.111 -4.880 1.00 0.00 C ATOM 62 O GLY A 7 -17.539 -19.820 -3.705 1.00 0.00 O ATOM 0 H GLY A 7 -20.240 -20.170 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.737 -19.673 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.469 -18.273 -5.712 1.00 0.00 H new ATOM 66 N ASN A 8 -17.144 -21.113 -5.503 1.00 0.00 N ATOM 67 CA ASN A 8 -16.160 -21.947 -4.823 1.00 0.00 C ATOM 68 C ASN A 8 -14.883 -21.161 -4.541 1.00 0.00 C ATOM 69 O ASN A 8 -14.486 -20.993 -3.387 1.00 0.00 O ATOM 70 CB ASN A 8 -15.836 -23.182 -5.667 1.00 0.00 C ATOM 71 CG ASN A 8 -16.980 -24.178 -5.697 1.00 0.00 C ATOM 72 OD1 ASN A 8 -17.822 -24.146 -6.594 1.00 0.00 O ATOM 73 ND2 ASN A 8 -17.014 -25.068 -4.712 1.00 0.00 N ATOM 0 H ASN A 8 -17.312 -21.367 -6.477 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.587 -22.267 -3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.601 -22.872 -6.685 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.945 -23.668 -5.268 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.760 -25.763 -4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.294 -25.057 -3.989 1.00 0.00 H new ATOM 80 N LEU A 9 -14.243 -20.682 -5.602 1.00 0.00 N ATOM 81 CA LEU A 9 -13.011 -19.913 -5.470 1.00 0.00 C ATOM 82 C LEU A 9 -13.245 -18.446 -5.818 1.00 0.00 C ATOM 83 O LEU A 9 -14.342 -18.061 -6.223 1.00 0.00 O ATOM 84 CB LEU A 9 -11.923 -20.496 -6.373 1.00 0.00 C ATOM 85 CG LEU A 9 -12.039 -20.167 -7.862 1.00 0.00 C ATOM 86 CD1 LEU A 9 -10.676 -20.239 -8.533 1.00 0.00 C ATOM 87 CD2 LEU A 9 -13.020 -21.110 -8.542 1.00 0.00 C ATOM 0 H LEU A 9 -14.557 -20.813 -6.564 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.684 -19.973 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.955 -20.142 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.927 -21.580 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.416 -19.149 -7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.779 -20.002 -9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.001 -19.522 -8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.270 -21.245 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.090 -20.861 -9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.672 -22.137 -8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.002 -21.008 -8.080 1.00 0.00 H new ATOM 99 N ASP A 10 -12.206 -17.633 -5.660 1.00 0.00 N ATOM 100 CA ASP A 10 -12.297 -16.209 -5.961 1.00 0.00 C ATOM 101 C ASP A 10 -11.400 -15.845 -7.140 1.00 0.00 C ATOM 102 O ASP A 10 -10.182 -15.740 -6.997 1.00 0.00 O ATOM 103 CB ASP A 10 -11.909 -15.382 -4.734 1.00 0.00 C ATOM 104 CG ASP A 10 -12.362 -16.022 -3.437 1.00 0.00 C ATOM 105 OD1 ASP A 10 -13.576 -16.277 -3.293 1.00 0.00 O ATOM 106 OD2 ASP A 10 -11.502 -16.270 -2.566 1.00 0.00 O ATOM 0 H ASP A 10 -11.291 -17.936 -5.325 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.329 -15.984 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.827 -15.254 -4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.347 -14.387 -4.817 1.00 0.00 H new ATOM 111 N ALA A 11 -12.011 -15.654 -8.305 1.00 0.00 N ATOM 112 CA ALA A 11 -11.269 -15.300 -9.508 1.00 0.00 C ATOM 113 C ALA A 11 -10.476 -14.013 -9.306 1.00 0.00 C ATOM 114 O ALA A 11 -9.247 -14.009 -9.388 1.00 0.00 O ATOM 115 CB ALA A 11 -12.216 -15.159 -10.690 1.00 0.00 C ATOM 0 H ALA A 11 -13.018 -15.739 -8.441 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.561 -16.102 -9.717 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.648 -14.894 -11.582 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.733 -16.104 -10.856 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.946 -14.378 -10.480 1.00 0.00 H new ATOM 121 N LEU A 12 -11.186 -12.922 -9.042 1.00 0.00 N ATOM 122 CA LEU A 12 -10.549 -11.627 -8.829 1.00 0.00 C ATOM 123 C LEU A 12 -9.381 -11.749 -7.855 1.00 0.00 C ATOM 124 O LEU A 12 -9.503 -12.367 -6.798 1.00 0.00 O ATOM 125 CB LEU A 12 -11.567 -10.617 -8.297 1.00 0.00 C ATOM 126 CG LEU A 12 -12.440 -9.929 -9.347 1.00 0.00 C ATOM 127 CD1 LEU A 12 -11.613 -8.959 -10.177 1.00 0.00 C ATOM 128 CD2 LEU A 12 -13.113 -10.960 -10.241 1.00 0.00 C ATOM 0 H LEU A 12 -12.203 -12.908 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.165 -11.277 -9.787 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.219 -11.127 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.030 -9.849 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.216 -9.363 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.251 -8.479 -10.919 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.180 -8.200 -9.525 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.814 -9.502 -10.682 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.730 -10.452 -10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.352 -11.554 -10.748 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.739 -11.614 -9.634 1.00 0.00 H new ATOM 140 N ARG A 13 -8.250 -11.154 -8.219 1.00 0.00 N ATOM 141 CA ARG A 13 -7.060 -11.195 -7.378 1.00 0.00 C ATOM 142 C ARG A 13 -6.558 -9.786 -7.076 1.00 0.00 C ATOM 143 O ARG A 13 -5.353 -9.543 -7.033 1.00 0.00 O ATOM 144 CB ARG A 13 -5.955 -12.006 -8.059 1.00 0.00 C ATOM 145 CG ARG A 13 -5.361 -11.321 -9.278 1.00 0.00 C ATOM 146 CD ARG A 13 -6.119 -11.684 -10.546 1.00 0.00 C ATOM 147 NE ARG A 13 -5.330 -11.426 -11.748 1.00 0.00 N ATOM 148 CZ ARG A 13 -5.864 -11.216 -12.946 1.00 0.00 C ATOM 149 NH1 ARG A 13 -7.181 -11.232 -13.101 1.00 0.00 N ATOM 150 NH2 ARG A 13 -5.081 -10.987 -13.992 1.00 0.00 N ATOM 0 H ARG A 13 -8.133 -10.638 -9.091 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.328 -11.676 -6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.161 -12.199 -7.338 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.357 -12.974 -8.357 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.383 -10.240 -9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.315 -11.607 -9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.396 -12.738 -10.514 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.046 -11.112 -10.591 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.314 -11.406 -11.663 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.787 -11.406 -12.299 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.588 -11.070 -14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.068 -10.972 -13.877 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.492 -10.826 -14.911 1.00 0.00 H new ATOM 164 N GLU A 14 -7.492 -8.863 -6.869 1.00 0.00 N ATOM 165 CA GLU A 14 -7.144 -7.478 -6.572 1.00 0.00 C ATOM 166 C GLU A 14 -6.649 -7.337 -5.136 1.00 0.00 C ATOM 167 O GLU A 14 -6.673 -8.295 -4.362 1.00 0.00 O ATOM 168 CB GLU A 14 -8.351 -6.566 -6.800 1.00 0.00 C ATOM 169 CG GLU A 14 -9.499 -6.823 -5.837 1.00 0.00 C ATOM 170 CD GLU A 14 -10.836 -6.367 -6.388 1.00 0.00 C ATOM 171 OE1 GLU A 14 -10.862 -5.358 -7.123 1.00 0.00 O ATOM 172 OE2 GLU A 14 -11.856 -7.021 -6.085 1.00 0.00 O ATOM 0 H GLU A 14 -8.494 -9.049 -6.901 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.340 -7.180 -7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.034 -5.527 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.708 -6.698 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.548 -7.888 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.302 -6.307 -4.897 1.00 0.00 H new ATOM 179 N VAL A 15 -6.201 -6.136 -4.786 1.00 0.00 N ATOM 180 CA VAL A 15 -5.700 -5.868 -3.443 1.00 0.00 C ATOM 181 C VAL A 15 -6.309 -4.591 -2.874 1.00 0.00 C ATOM 182 O VAL A 15 -5.619 -3.786 -2.249 1.00 0.00 O ATOM 183 CB VAL A 15 -4.165 -5.741 -3.431 1.00 0.00 C ATOM 184 CG1 VAL A 15 -3.520 -7.005 -3.979 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.726 -4.521 -4.225 1.00 0.00 C ATOM 0 H VAL A 15 -6.175 -5.333 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.992 -6.715 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.836 -5.612 -2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.436 -6.897 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.809 -7.857 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.853 -7.168 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.639 -4.446 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.065 -4.617 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.159 -3.624 -3.783 1.00 0.00 H new ATOM 195 N LEU A 16 -7.607 -4.413 -3.094 1.00 0.00 N ATOM 196 CA LEU A 16 -8.311 -3.234 -2.603 1.00 0.00 C ATOM 197 C LEU A 16 -7.995 -2.984 -1.132 1.00 0.00 C ATOM 198 O LEU A 16 -8.138 -1.866 -0.638 1.00 0.00 O ATOM 199 CB LEU A 16 -9.820 -3.401 -2.790 1.00 0.00 C ATOM 200 CG LEU A 16 -10.335 -3.289 -4.226 1.00 0.00 C ATOM 201 CD1 LEU A 16 -11.769 -3.787 -4.319 1.00 0.00 C ATOM 202 CD2 LEU A 16 -10.235 -1.852 -4.717 1.00 0.00 C ATOM 0 H LEU A 16 -8.193 -5.070 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.972 -2.374 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.109 -4.376 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.326 -2.650 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.712 -3.915 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.118 -3.700 -5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.813 -4.831 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.405 -3.188 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.606 -1.791 -5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.833 -1.206 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.194 -1.529 -4.688 1.00 0.00 H new ATOM 214 N GLU A 17 -7.562 -4.032 -0.438 1.00 0.00 N ATOM 215 CA GLU A 17 -7.224 -3.925 0.976 1.00 0.00 C ATOM 216 C GLU A 17 -5.733 -4.161 1.198 1.00 0.00 C ATOM 217 O GLU A 17 -5.077 -4.847 0.413 1.00 0.00 O ATOM 218 CB GLU A 17 -8.038 -4.929 1.795 1.00 0.00 C ATOM 219 CG GLU A 17 -9.351 -4.367 2.314 1.00 0.00 C ATOM 220 CD GLU A 17 -10.426 -5.428 2.449 1.00 0.00 C ATOM 221 OE1 GLU A 17 -10.488 -6.324 1.582 1.00 0.00 O ATOM 222 OE2 GLU A 17 -11.206 -5.362 3.423 1.00 0.00 O ATOM 0 H GLU A 17 -7.437 -4.964 -0.832 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.468 -2.915 1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.245 -5.805 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.438 -5.268 2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.184 -3.899 3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.700 -3.585 1.639 1.00 0.00 H new ATOM 229 N CYS A 18 -5.203 -3.588 2.273 1.00 0.00 N ATOM 230 CA CYS A 18 -3.790 -3.734 2.600 1.00 0.00 C ATOM 231 C CYS A 18 -3.450 -5.189 2.910 1.00 0.00 C ATOM 232 O CYS A 18 -4.177 -5.884 3.621 1.00 0.00 O ATOM 233 CB CYS A 18 -3.427 -2.848 3.794 1.00 0.00 C ATOM 234 SG CYS A 18 -1.673 -2.936 4.279 1.00 0.00 S ATOM 0 H CYS A 18 -5.731 -3.018 2.933 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.208 -3.421 1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.675 -1.814 3.554 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.043 -3.134 4.646 1.00 0.00 H new ATOM 239 N PRO A 19 -2.320 -5.662 2.366 1.00 0.00 N ATOM 240 CA PRO A 19 -1.858 -7.038 2.570 1.00 0.00 C ATOM 241 C PRO A 19 -1.388 -7.285 4.000 1.00 0.00 C ATOM 242 O PRO A 19 -0.973 -8.392 4.344 1.00 0.00 O ATOM 243 CB PRO A 19 -0.687 -7.168 1.593 1.00 0.00 C ATOM 244 CG PRO A 19 -0.194 -5.775 1.404 1.00 0.00 C ATOM 245 CD PRO A 19 -1.405 -4.890 1.508 1.00 0.00 C ATOM 0 HA PRO A 19 -2.653 -7.764 2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.094 -7.813 1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.007 -7.606 0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.545 -5.516 2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.291 -5.661 0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.160 -3.924 1.949 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.843 -4.692 0.530 1.00 0.00 H new ATOM 253 N ILE A 20 -1.456 -6.248 4.828 1.00 0.00 N ATOM 254 CA ILE A 20 -1.039 -6.354 6.221 1.00 0.00 C ATOM 255 C ILE A 20 -2.233 -6.234 7.162 1.00 0.00 C ATOM 256 O ILE A 20 -2.689 -7.224 7.734 1.00 0.00 O ATOM 257 CB ILE A 20 -0.003 -5.273 6.582 1.00 0.00 C ATOM 258 CG1 ILE A 20 1.189 -5.339 5.626 1.00 0.00 C ATOM 259 CG2 ILE A 20 0.456 -5.440 8.023 1.00 0.00 C ATOM 260 CD1 ILE A 20 2.202 -4.238 5.847 1.00 0.00 C ATOM 0 H ILE A 20 -1.796 -5.325 4.558 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.583 -7.337 6.341 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.471 -4.294 6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.683 -6.304 5.740 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.825 -5.286 4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.188 -4.669 8.263 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.401 -5.348 8.691 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.910 -6.423 8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.019 -4.347 5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.723 -3.269 5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.594 -4.303 6.862 1.00 0.00 H new ATOM 272 N CYS A 21 -2.736 -5.014 7.318 1.00 0.00 N ATOM 273 CA CYS A 21 -3.877 -4.762 8.189 1.00 0.00 C ATOM 274 C CYS A 21 -5.169 -5.268 7.553 1.00 0.00 C ATOM 275 O CYS A 21 -6.118 -5.625 8.250 1.00 0.00 O ATOM 276 CB CYS A 21 -3.996 -3.267 8.490 1.00 0.00 C ATOM 277 SG CYS A 21 -3.904 -2.201 7.016 1.00 0.00 S ATOM 0 H CYS A 21 -2.371 -4.184 6.852 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.716 -5.302 9.122 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.943 -3.084 8.999 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.203 -2.982 9.181 1.00 0.00 H new ATOM 282 N MET A 22 -5.196 -5.296 6.224 1.00 0.00 N ATOM 283 CA MET A 22 -6.370 -5.759 5.494 1.00 0.00 C ATOM 284 C MET A 22 -7.534 -4.787 5.663 1.00 0.00 C ATOM 285 O MET A 22 -8.666 -5.199 5.914 1.00 0.00 O ATOM 286 CB MET A 22 -6.780 -7.152 5.976 1.00 0.00 C ATOM 287 CG MET A 22 -5.644 -8.162 5.950 1.00 0.00 C ATOM 288 SD MET A 22 -5.020 -8.463 4.285 1.00 0.00 S ATOM 289 CE MET A 22 -6.503 -9.045 3.467 1.00 0.00 C ATOM 0 H MET A 22 -4.419 -5.004 5.632 1.00 0.00 H new ATOM 0 HA MET A 22 -6.112 -5.809 4.436 1.00 0.00 H new ATOM 0 HB2 MET A 22 -7.166 -7.077 6.993 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.595 -7.518 5.352 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.830 -7.803 6.580 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.989 -9.102 6.380 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.229 -9.627 2.587 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.075 -9.671 4.152 1.00 0.00 H new ATOM 0 HE3 MET A 22 -7.109 -8.192 3.163 1.00 0.00 H new ATOM 299 N GLU A 23 -7.247 -3.497 5.523 1.00 0.00 N ATOM 300 CA GLU A 23 -8.271 -2.468 5.662 1.00 0.00 C ATOM 301 C GLU A 23 -8.471 -1.719 4.347 1.00 0.00 C ATOM 302 O GLU A 23 -7.507 -1.358 3.673 1.00 0.00 O ATOM 303 CB GLU A 23 -7.889 -1.483 6.769 1.00 0.00 C ATOM 304 CG GLU A 23 -8.415 -1.874 8.140 1.00 0.00 C ATOM 305 CD GLU A 23 -8.614 -0.679 9.051 1.00 0.00 C ATOM 306 OE1 GLU A 23 -9.562 0.098 8.812 1.00 0.00 O ATOM 307 OE2 GLU A 23 -7.822 -0.521 10.004 1.00 0.00 O ATOM 0 H GLU A 23 -6.315 -3.140 5.314 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.208 -2.957 5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.803 -1.404 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.270 -0.495 6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.363 -2.400 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.719 -2.570 8.607 1.00 0.00 H new ATOM 314 N SER A 24 -9.731 -1.491 3.989 1.00 0.00 N ATOM 315 CA SER A 24 -10.059 -0.790 2.754 1.00 0.00 C ATOM 316 C SER A 24 -9.257 0.503 2.633 1.00 0.00 C ATOM 317 O SER A 24 -9.211 1.308 3.563 1.00 0.00 O ATOM 318 CB SER A 24 -11.556 -0.481 2.700 1.00 0.00 C ATOM 319 OG SER A 24 -12.309 -1.651 2.432 1.00 0.00 O ATOM 0 H SER A 24 -10.541 -1.782 4.537 1.00 0.00 H new ATOM 0 HA SER A 24 -9.798 -1.439 1.918 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.876 -0.048 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.749 0.264 1.928 1.00 0.00 H new ATOM 0 HG SER A 24 -13.263 -1.427 2.404 1.00 0.00 H new ATOM 325 N PHE A 25 -8.625 0.693 1.479 1.00 0.00 N ATOM 326 CA PHE A 25 -7.823 1.887 1.236 1.00 0.00 C ATOM 327 C PHE A 25 -8.711 3.119 1.089 1.00 0.00 C ATOM 328 O PHE A 25 -9.393 3.291 0.078 1.00 0.00 O ATOM 329 CB PHE A 25 -6.971 1.706 -0.022 1.00 0.00 C ATOM 330 CG PHE A 25 -5.790 0.799 0.178 1.00 0.00 C ATOM 331 CD1 PHE A 25 -4.851 1.070 1.160 1.00 0.00 C ATOM 332 CD2 PHE A 25 -5.620 -0.324 -0.615 1.00 0.00 C ATOM 333 CE1 PHE A 25 -3.763 0.238 1.346 1.00 0.00 C ATOM 334 CE2 PHE A 25 -4.535 -1.161 -0.433 1.00 0.00 C ATOM 335 CZ PHE A 25 -3.606 -0.880 0.550 1.00 0.00 C ATOM 0 H PHE A 25 -8.653 0.037 0.699 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.167 2.035 2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.596 1.305 -0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.617 2.682 -0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.970 1.941 1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.344 -0.548 -1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.036 0.462 2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.414 -2.033 -1.058 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.758 -1.533 0.696 1.00 0.00 H new ATOM 345 N THR A 26 -8.700 3.974 2.107 1.00 0.00 N ATOM 346 CA THR A 26 -9.505 5.189 2.094 1.00 0.00 C ATOM 347 C THR A 26 -8.623 6.432 2.064 1.00 0.00 C ATOM 348 O THR A 26 -7.540 6.450 2.647 1.00 0.00 O ATOM 349 CB THR A 26 -10.433 5.261 3.321 1.00 0.00 C ATOM 350 OG1 THR A 26 -11.122 6.516 3.340 1.00 0.00 O ATOM 351 CG2 THR A 26 -9.642 5.091 4.609 1.00 0.00 C ATOM 0 H THR A 26 -8.142 3.847 2.951 1.00 0.00 H new ATOM 0 HA THR A 26 -10.113 5.156 1.190 1.00 0.00 H new ATOM 0 HB THR A 26 -11.158 4.450 3.249 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.711 6.554 4.122 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.319 5.146 5.462 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.142 4.122 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.897 5.883 4.686 1.00 0.00 H new ATOM 359 N GLU A 27 -9.095 7.470 1.381 1.00 0.00 N ATOM 360 CA GLU A 27 -8.348 8.718 1.276 1.00 0.00 C ATOM 361 C GLU A 27 -8.633 9.625 2.470 1.00 0.00 C ATOM 362 O GLU A 27 -8.822 10.831 2.314 1.00 0.00 O ATOM 363 CB GLU A 27 -8.702 9.442 -0.025 1.00 0.00 C ATOM 364 CG GLU A 27 -8.206 8.731 -1.272 1.00 0.00 C ATOM 365 CD GLU A 27 -8.539 9.485 -2.545 1.00 0.00 C ATOM 366 OE1 GLU A 27 -8.498 10.733 -2.523 1.00 0.00 O ATOM 367 OE2 GLU A 27 -8.843 8.827 -3.562 1.00 0.00 O ATOM 0 H GLU A 27 -9.990 7.472 0.892 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.285 8.476 1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.785 9.552 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.280 10.447 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.126 8.598 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.647 7.735 -1.318 1.00 0.00 H new ATOM 374 N GLU A 28 -8.662 9.034 3.660 1.00 0.00 N ATOM 375 CA GLU A 28 -8.925 9.788 4.880 1.00 0.00 C ATOM 376 C GLU A 28 -7.914 9.434 5.967 1.00 0.00 C ATOM 377 O GLU A 28 -7.344 10.316 6.609 1.00 0.00 O ATOM 378 CB GLU A 28 -10.345 9.514 5.379 1.00 0.00 C ATOM 379 CG GLU A 28 -10.655 10.163 6.718 1.00 0.00 C ATOM 380 CD GLU A 28 -11.878 9.565 7.386 1.00 0.00 C ATOM 381 OE1 GLU A 28 -12.136 8.360 7.182 1.00 0.00 O ATOM 382 OE2 GLU A 28 -12.578 10.302 8.112 1.00 0.00 O ATOM 0 H GLU A 28 -8.507 8.036 3.805 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.827 10.849 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.058 9.873 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.490 8.437 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.795 10.054 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.811 11.232 6.572 1.00 0.00 H new ATOM 389 N GLN A 29 -7.700 8.138 6.168 1.00 0.00 N ATOM 390 CA GLN A 29 -6.760 7.667 7.179 1.00 0.00 C ATOM 391 C GLN A 29 -5.751 6.697 6.573 1.00 0.00 C ATOM 392 O GLN A 29 -4.544 6.939 6.607 1.00 0.00 O ATOM 393 CB GLN A 29 -7.510 6.991 8.328 1.00 0.00 C ATOM 394 CG GLN A 29 -6.702 6.900 9.612 1.00 0.00 C ATOM 395 CD GLN A 29 -6.575 8.236 10.317 1.00 0.00 C ATOM 396 OE1 GLN A 29 -7.543 8.990 10.422 1.00 0.00 O ATOM 397 NE2 GLN A 29 -5.378 8.538 10.805 1.00 0.00 N ATOM 0 H GLN A 29 -8.164 7.396 5.645 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.219 8.530 7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.429 7.543 8.525 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.801 5.987 8.020 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.174 6.182 10.283 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.707 6.517 9.384 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.603 7.884 10.696 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.233 9.424 11.289 1.00 0.00 H new ATOM 406 N LEU A 30 -6.253 5.598 6.020 1.00 0.00 N ATOM 407 CA LEU A 30 -5.396 4.590 5.407 1.00 0.00 C ATOM 408 C LEU A 30 -5.215 4.862 3.917 1.00 0.00 C ATOM 409 O LEU A 30 -6.082 4.537 3.107 1.00 0.00 O ATOM 410 CB LEU A 30 -5.987 3.194 5.614 1.00 0.00 C ATOM 411 CG LEU A 30 -6.391 2.842 7.046 1.00 0.00 C ATOM 412 CD1 LEU A 30 -7.352 1.664 7.055 1.00 0.00 C ATOM 413 CD2 LEU A 30 -5.161 2.536 7.887 1.00 0.00 C ATOM 0 H LEU A 30 -7.249 5.383 5.984 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.419 4.639 5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.865 3.094 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.259 2.459 5.272 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.899 3.702 7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.628 1.428 8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.247 1.920 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.870 0.798 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.468 2.288 8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.624 1.692 7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.508 3.409 7.908 1.00 0.00 H new ATOM 425 N ARG A 31 -4.081 5.459 3.563 1.00 0.00 N ATOM 426 CA ARG A 31 -3.786 5.774 2.171 1.00 0.00 C ATOM 427 C ARG A 31 -2.852 4.731 1.564 1.00 0.00 C ATOM 428 O ARG A 31 -1.811 4.391 2.127 1.00 0.00 O ATOM 429 CB ARG A 31 -3.155 7.163 2.062 1.00 0.00 C ATOM 430 CG ARG A 31 -4.163 8.298 2.145 1.00 0.00 C ATOM 431 CD ARG A 31 -3.499 9.649 1.934 1.00 0.00 C ATOM 432 NE ARG A 31 -2.992 10.211 3.183 1.00 0.00 N ATOM 433 CZ ARG A 31 -2.361 11.377 3.262 1.00 0.00 C ATOM 434 NH1 ARG A 31 -2.161 12.101 2.170 1.00 0.00 N ATOM 435 NH2 ARG A 31 -1.929 11.820 4.436 1.00 0.00 N ATOM 0 H ARG A 31 -3.352 5.734 4.221 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.724 5.764 1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.420 7.282 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.616 7.235 1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.940 8.152 1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.653 8.280 3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.678 9.543 1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.216 10.340 1.490 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.130 9.679 4.042 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.492 11.763 1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.676 12.996 2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.082 11.265 5.278 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.444 12.716 4.496 1.00 0.00 H new ATOM 449 N PRO A 32 -3.230 4.210 0.387 1.00 0.00 N ATOM 450 CA PRO A 32 -2.441 3.199 -0.322 1.00 0.00 C ATOM 451 C PRO A 32 -1.140 3.765 -0.880 1.00 0.00 C ATOM 452 O PRO A 32 -1.153 4.659 -1.727 1.00 0.00 O ATOM 453 CB PRO A 32 -3.366 2.761 -1.461 1.00 0.00 C ATOM 454 CG PRO A 32 -4.265 3.927 -1.688 1.00 0.00 C ATOM 455 CD PRO A 32 -4.458 4.569 -0.342 1.00 0.00 C ATOM 0 HA PRO A 32 -2.137 2.385 0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.799 2.517 -2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.933 1.870 -1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.823 4.629 -2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.219 3.608 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.574 5.650 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.348 4.190 0.160 1.00 0.00 H new ATOM 463 N LYS A 33 -0.018 3.239 -0.402 1.00 0.00 N ATOM 464 CA LYS A 33 1.293 3.691 -0.854 1.00 0.00 C ATOM 465 C LYS A 33 2.042 2.566 -1.561 1.00 0.00 C ATOM 466 O LYS A 33 2.117 1.444 -1.057 1.00 0.00 O ATOM 467 CB LYS A 33 2.116 4.201 0.331 1.00 0.00 C ATOM 468 CG LYS A 33 1.357 5.159 1.232 1.00 0.00 C ATOM 469 CD LYS A 33 0.942 6.416 0.487 1.00 0.00 C ATOM 470 CE LYS A 33 1.950 7.538 0.683 1.00 0.00 C ATOM 471 NZ LYS A 33 1.660 8.704 -0.197 1.00 0.00 N ATOM 0 H LYS A 33 0.010 2.499 0.299 1.00 0.00 H new ATOM 0 HA LYS A 33 1.145 4.506 -1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.452 3.349 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.009 4.700 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.472 4.662 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.981 5.429 2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.844 6.195 -0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.038 6.741 0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.939 7.858 1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.953 7.166 0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.328 9.473 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.761 8.421 -1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.688 9.033 -0.028 1.00 0.00 H new ATOM 485 N LEU A 34 2.597 2.873 -2.728 1.00 0.00 N ATOM 486 CA LEU A 34 3.342 1.887 -3.504 1.00 0.00 C ATOM 487 C LEU A 34 4.835 1.973 -3.202 1.00 0.00 C ATOM 488 O LEU A 34 5.417 3.059 -3.200 1.00 0.00 O ATOM 489 CB LEU A 34 3.099 2.096 -4.999 1.00 0.00 C ATOM 490 CG LEU A 34 3.278 0.864 -5.887 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.798 -0.386 -5.167 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.534 1.042 -7.203 1.00 0.00 C ATOM 0 H LEU A 34 2.545 3.797 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 34 2.989 0.895 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.084 2.471 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.776 2.874 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 34 4.340 0.748 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.933 -1.253 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.374 -0.523 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.742 -0.280 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.673 0.156 -7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.472 1.183 -7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.924 1.915 -7.726 1.00 0.00 H new ATOM 504 N LEU A 35 5.450 0.823 -2.951 1.00 0.00 N ATOM 505 CA LEU A 35 6.876 0.767 -2.651 1.00 0.00 C ATOM 506 C LEU A 35 7.698 0.652 -3.931 1.00 0.00 C ATOM 507 O LEU A 35 7.174 0.297 -4.988 1.00 0.00 O ATOM 508 CB LEU A 35 7.178 -0.416 -1.730 1.00 0.00 C ATOM 509 CG LEU A 35 6.382 -0.471 -0.426 1.00 0.00 C ATOM 510 CD1 LEU A 35 6.686 -1.755 0.331 1.00 0.00 C ATOM 511 CD2 LEU A 35 6.687 0.744 0.437 1.00 0.00 C ATOM 0 H LEU A 35 4.983 -0.084 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 35 7.152 1.693 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.995 -1.337 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.240 -0.397 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 35 5.320 -0.460 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.111 -1.777 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.416 -2.613 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.750 -1.797 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.111 0.688 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.751 0.765 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.417 1.651 -0.104 1.00 0.00 H new ATOM 523 N HIS A 36 8.989 0.953 -3.829 1.00 0.00 N ATOM 524 CA HIS A 36 9.884 0.881 -4.978 1.00 0.00 C ATOM 525 C HIS A 36 9.999 -0.552 -5.488 1.00 0.00 C ATOM 526 O HIS A 36 10.612 -0.806 -6.525 1.00 0.00 O ATOM 527 CB HIS A 36 11.268 1.415 -4.607 1.00 0.00 C ATOM 528 CG HIS A 36 11.281 2.880 -4.296 1.00 0.00 C ATOM 529 ND1 HIS A 36 12.433 3.638 -4.291 1.00 0.00 N ATOM 530 CD2 HIS A 36 10.274 3.727 -3.978 1.00 0.00 C ATOM 531 CE1 HIS A 36 12.134 4.887 -3.983 1.00 0.00 C ATOM 532 NE2 HIS A 36 10.830 4.968 -3.789 1.00 0.00 N ATOM 0 H HIS A 36 9.438 1.249 -2.962 1.00 0.00 H new ATOM 0 HA HIS A 36 9.465 1.498 -5.773 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.641 0.865 -3.743 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.956 1.220 -5.430 1.00 0.00 H new ATOM 0 HD1 HIS A 36 13.370 3.289 -4.494 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.228 3.474 -3.889 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.836 5.703 -3.903 1.00 0.00 H new ATOM 540 N CYS A 37 9.406 -1.486 -4.752 1.00 0.00 N ATOM 541 CA CYS A 37 9.442 -2.894 -5.128 1.00 0.00 C ATOM 542 C CYS A 37 8.235 -3.259 -5.988 1.00 0.00 C ATOM 543 O CYS A 37 8.371 -3.904 -7.026 1.00 0.00 O ATOM 544 CB CYS A 37 9.478 -3.777 -3.879 1.00 0.00 C ATOM 545 SG CYS A 37 8.002 -3.628 -2.821 1.00 0.00 S ATOM 0 H CYS A 37 8.894 -1.293 -3.891 1.00 0.00 H new ATOM 0 HA CYS A 37 10.347 -3.065 -5.712 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.589 -4.817 -4.185 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.360 -3.522 -3.292 1.00 0.00 H new ATOM 550 N GLY A 38 7.052 -2.840 -5.546 1.00 0.00 N ATOM 551 CA GLY A 38 5.838 -3.131 -6.286 1.00 0.00 C ATOM 552 C GLY A 38 4.651 -3.380 -5.377 1.00 0.00 C ATOM 553 O GLY A 38 3.511 -3.089 -5.739 1.00 0.00 O ATOM 0 H GLY A 38 6.913 -2.305 -4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.613 -2.298 -6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.000 -4.007 -6.915 1.00 0.00 H new ATOM 557 N HIS A 39 4.918 -3.922 -4.193 1.00 0.00 N ATOM 558 CA HIS A 39 3.862 -4.212 -3.229 1.00 0.00 C ATOM 559 C HIS A 39 3.216 -2.924 -2.728 1.00 0.00 C ATOM 560 O HIS A 39 3.861 -1.876 -2.665 1.00 0.00 O ATOM 561 CB HIS A 39 4.422 -5.008 -2.050 1.00 0.00 C ATOM 562 CG HIS A 39 4.816 -6.408 -2.406 1.00 0.00 C ATOM 563 ND1 HIS A 39 6.040 -6.952 -2.079 1.00 0.00 N ATOM 564 CD2 HIS A 39 4.138 -7.378 -3.064 1.00 0.00 C ATOM 565 CE1 HIS A 39 6.099 -8.196 -2.521 1.00 0.00 C ATOM 566 NE2 HIS A 39 4.957 -8.479 -3.122 1.00 0.00 N ATOM 0 H HIS A 39 5.856 -4.169 -3.878 1.00 0.00 H new ATOM 0 HA HIS A 39 3.100 -4.809 -3.730 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.291 -4.486 -1.649 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.675 -5.040 -1.256 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.139 -7.300 -3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.938 -8.867 -2.410 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.722 -9.370 -3.558 1.00 0.00 H new ATOM 574 N THR A 40 1.938 -3.008 -2.371 1.00 0.00 N ATOM 575 CA THR A 40 1.204 -1.849 -1.878 1.00 0.00 C ATOM 576 C THR A 40 0.862 -2.004 -0.400 1.00 0.00 C ATOM 577 O THR A 40 0.492 -3.089 0.050 1.00 0.00 O ATOM 578 CB THR A 40 -0.096 -1.626 -2.673 1.00 0.00 C ATOM 579 OG1 THR A 40 0.204 -1.458 -4.063 1.00 0.00 O ATOM 580 CG2 THR A 40 -0.843 -0.405 -2.159 1.00 0.00 C ATOM 0 H THR A 40 1.390 -3.867 -2.414 1.00 0.00 H new ATOM 0 HA THR A 40 1.854 -0.984 -2.010 1.00 0.00 H new ATOM 0 HB THR A 40 -0.731 -2.502 -2.541 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.467 -1.928 -4.602 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.757 -0.268 -2.736 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.095 -0.548 -1.108 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.213 0.478 -2.264 1.00 0.00 H new ATOM 588 N ILE A 41 0.987 -0.914 0.349 1.00 0.00 N ATOM 589 CA ILE A 41 0.689 -0.930 1.776 1.00 0.00 C ATOM 590 C ILE A 41 0.093 0.399 2.227 1.00 0.00 C ATOM 591 O ILE A 41 0.414 1.454 1.679 1.00 0.00 O ATOM 592 CB ILE A 41 1.949 -1.225 2.611 1.00 0.00 C ATOM 593 CG1 ILE A 41 2.733 -2.387 1.997 1.00 0.00 C ATOM 594 CG2 ILE A 41 1.569 -1.537 4.051 1.00 0.00 C ATOM 595 CD1 ILE A 41 3.971 -2.762 2.783 1.00 0.00 C ATOM 0 H ILE A 41 1.292 -0.009 -0.008 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.038 -1.726 1.938 1.00 0.00 H new ATOM 0 HB ILE A 41 2.585 -0.340 2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.081 -3.257 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.024 -2.122 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.470 -1.743 4.629 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.049 -0.682 4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.916 -2.409 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.477 -3.592 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.643 -1.906 2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.685 -3.059 3.792 1.00 0.00 H new ATOM 607 N CYS A 42 -0.774 0.342 3.232 1.00 0.00 N ATOM 608 CA CYS A 42 -1.415 1.540 3.760 1.00 0.00 C ATOM 609 C CYS A 42 -0.422 2.382 4.556 1.00 0.00 C ATOM 610 O CYS A 42 0.393 1.850 5.311 1.00 0.00 O ATOM 611 CB CYS A 42 -2.604 1.161 4.645 1.00 0.00 C ATOM 612 SG CYS A 42 -2.137 0.363 6.215 1.00 0.00 S ATOM 0 H CYS A 42 -1.049 -0.523 3.698 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.773 2.131 2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.181 2.059 4.864 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.258 0.489 4.089 1.00 0.00 H new ATOM 617 N ARG A 43 -0.497 3.697 4.383 1.00 0.00 N ATOM 618 CA ARG A 43 0.395 4.612 5.084 1.00 0.00 C ATOM 619 C ARG A 43 0.592 4.176 6.533 1.00 0.00 C ATOM 620 O ARG A 43 1.683 4.306 7.087 1.00 0.00 O ATOM 621 CB ARG A 43 -0.162 6.036 5.040 1.00 0.00 C ATOM 622 CG ARG A 43 -1.335 6.261 5.981 1.00 0.00 C ATOM 623 CD ARG A 43 -0.873 6.790 7.330 1.00 0.00 C ATOM 624 NE ARG A 43 -1.919 6.687 8.344 1.00 0.00 N ATOM 625 CZ ARG A 43 -1.673 6.621 9.648 1.00 0.00 C ATOM 626 NH1 ARG A 43 -0.424 6.647 10.093 1.00 0.00 N ATOM 627 NH2 ARG A 43 -2.677 6.529 10.510 1.00 0.00 N ATOM 0 H ARG A 43 -1.167 4.153 3.763 1.00 0.00 H new ATOM 0 HA ARG A 43 1.362 4.592 4.582 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.634 6.736 5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.476 6.263 4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.033 6.967 5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.875 5.325 6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.005 6.233 7.657 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.569 7.832 7.227 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.891 6.665 8.034 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.351 6.718 9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.238 6.596 11.095 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.639 6.509 10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.487 6.478 11.511 1.00 0.00 H new ATOM 641 N GLN A 44 -0.472 3.661 7.140 1.00 0.00 N ATOM 642 CA GLN A 44 -0.417 3.207 8.525 1.00 0.00 C ATOM 643 C GLN A 44 0.721 2.211 8.726 1.00 0.00 C ATOM 644 O GLN A 44 1.639 2.452 9.511 1.00 0.00 O ATOM 645 CB GLN A 44 -1.747 2.569 8.929 1.00 0.00 C ATOM 646 CG GLN A 44 -1.645 1.674 10.154 1.00 0.00 C ATOM 647 CD GLN A 44 -3.001 1.320 10.732 1.00 0.00 C ATOM 648 OE1 GLN A 44 -3.863 0.737 9.906 1.00 0.00 O flip ATOM 649 NE2 GLN A 44 -3.272 1.567 11.907 1.00 0.00 N flip ATOM 0 H GLN A 44 -1.383 3.548 6.695 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.232 4.075 9.158 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.474 3.357 9.125 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.129 1.984 8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.118 0.758 9.887 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.049 2.175 10.917 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.580 2.016 12.507 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.189 1.323 12.281 1.00 0.00 H new ATOM 658 N CYS A 45 0.654 1.092 8.013 1.00 0.00 N ATOM 659 CA CYS A 45 1.677 0.059 8.113 1.00 0.00 C ATOM 660 C CYS A 45 3.044 0.606 7.714 1.00 0.00 C ATOM 661 O CYS A 45 4.034 0.411 8.421 1.00 0.00 O ATOM 662 CB CYS A 45 1.315 -1.135 7.227 1.00 0.00 C ATOM 663 SG CYS A 45 -0.035 -2.167 7.884 1.00 0.00 S ATOM 0 H CYS A 45 -0.099 0.878 7.359 1.00 0.00 H new ATOM 0 HA CYS A 45 1.725 -0.269 9.151 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.031 -0.769 6.241 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.201 -1.756 7.093 1.00 0.00 H new ATOM 668 N LEU A 46 3.092 1.293 6.578 1.00 0.00 N ATOM 669 CA LEU A 46 4.337 1.870 6.084 1.00 0.00 C ATOM 670 C LEU A 46 4.942 2.821 7.112 1.00 0.00 C ATOM 671 O LEU A 46 6.160 2.881 7.274 1.00 0.00 O ATOM 672 CB LEU A 46 4.092 2.612 4.769 1.00 0.00 C ATOM 673 CG LEU A 46 5.324 3.235 4.110 1.00 0.00 C ATOM 674 CD1 LEU A 46 5.954 2.261 3.127 1.00 0.00 C ATOM 675 CD2 LEU A 46 4.954 4.536 3.413 1.00 0.00 C ATOM 0 H LEU A 46 2.283 1.464 5.981 1.00 0.00 H new ATOM 0 HA LEU A 46 5.041 1.057 5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.639 1.917 4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.363 3.402 4.951 1.00 0.00 H new ATOM 0 HG LEU A 46 6.055 3.457 4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.829 2.722 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.255 1.356 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.230 2.006 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.842 4.966 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.205 4.338 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.550 5.238 4.143 1.00 0.00 H new ATOM 687 N GLU A 47 4.082 3.560 7.805 1.00 0.00 N ATOM 688 CA GLU A 47 4.532 4.507 8.819 1.00 0.00 C ATOM 689 C GLU A 47 5.199 3.781 9.984 1.00 0.00 C ATOM 690 O GLU A 47 6.323 4.101 10.369 1.00 0.00 O ATOM 691 CB GLU A 47 3.355 5.340 9.329 1.00 0.00 C ATOM 692 CG GLU A 47 3.009 6.518 8.433 1.00 0.00 C ATOM 693 CD GLU A 47 4.059 7.611 8.475 1.00 0.00 C ATOM 694 OE1 GLU A 47 5.213 7.339 8.081 1.00 0.00 O ATOM 695 OE2 GLU A 47 3.728 8.737 8.901 1.00 0.00 O ATOM 0 H GLU A 47 3.070 3.522 7.683 1.00 0.00 H new ATOM 0 HA GLU A 47 5.265 5.170 8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.480 4.697 9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.588 5.710 10.327 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.895 6.168 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.047 6.931 8.738 1.00 0.00 H new ATOM 702 N LYS A 48 4.496 2.801 10.542 1.00 0.00 N ATOM 703 CA LYS A 48 5.017 2.027 11.662 1.00 0.00 C ATOM 704 C LYS A 48 6.418 1.506 11.359 1.00 0.00 C ATOM 705 O LYS A 48 7.231 1.317 12.265 1.00 0.00 O ATOM 706 CB LYS A 48 4.084 0.857 11.979 1.00 0.00 C ATOM 707 CG LYS A 48 3.016 1.191 13.007 1.00 0.00 C ATOM 708 CD LYS A 48 1.840 1.915 12.374 1.00 0.00 C ATOM 709 CE LYS A 48 0.626 1.913 13.290 1.00 0.00 C ATOM 710 NZ LYS A 48 -0.200 3.140 13.119 1.00 0.00 N ATOM 0 H LYS A 48 3.563 2.524 10.236 1.00 0.00 H new ATOM 0 HA LYS A 48 5.073 2.684 12.530 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.601 0.529 11.059 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.677 0.018 12.343 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.667 0.274 13.482 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.447 1.812 13.792 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.124 2.943 12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.584 1.438 11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.017 1.033 13.083 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.954 1.837 14.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.168 2.956 13.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.214 3.917 13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.223 3.406 12.114 1.00 0.00 H new ATOM 724 N LEU A 49 6.695 1.277 10.080 1.00 0.00 N ATOM 725 CA LEU A 49 7.999 0.779 9.657 1.00 0.00 C ATOM 726 C LEU A 49 8.990 1.926 9.485 1.00 0.00 C ATOM 727 O LEU A 49 10.050 1.944 10.113 1.00 0.00 O ATOM 728 CB LEU A 49 7.870 0.002 8.346 1.00 0.00 C ATOM 729 CG LEU A 49 7.161 -1.350 8.435 1.00 0.00 C ATOM 730 CD1 LEU A 49 6.986 -1.953 7.049 1.00 0.00 C ATOM 731 CD2 LEU A 49 7.934 -2.299 9.338 1.00 0.00 C ATOM 0 H LEU A 49 6.034 1.428 9.318 1.00 0.00 H new ATOM 0 HA LEU A 49 8.374 0.111 10.433 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.334 0.624 7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.870 -0.160 7.943 1.00 0.00 H new ATOM 0 HG LEU A 49 6.173 -1.193 8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.480 -2.915 7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.389 -1.281 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.963 -2.096 6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.415 -3.256 9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.935 -2.451 8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.007 -1.871 10.338 1.00 0.00 H new ATOM 743 N LEU A 50 8.639 2.882 8.633 1.00 0.00 N ATOM 744 CA LEU A 50 9.496 4.035 8.380 1.00 0.00 C ATOM 745 C LEU A 50 9.965 4.662 9.689 1.00 0.00 C ATOM 746 O LEU A 50 11.122 5.062 9.818 1.00 0.00 O ATOM 747 CB LEU A 50 8.752 5.075 7.541 1.00 0.00 C ATOM 748 CG LEU A 50 9.616 5.938 6.621 1.00 0.00 C ATOM 749 CD1 LEU A 50 8.751 6.665 5.603 1.00 0.00 C ATOM 750 CD2 LEU A 50 10.435 6.930 7.434 1.00 0.00 C ATOM 0 H LEU A 50 7.766 2.882 8.105 1.00 0.00 H new ATOM 0 HA LEU A 50 10.371 3.692 7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.011 4.558 6.931 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.205 5.734 8.216 1.00 0.00 H new ATOM 0 HG LEU A 50 10.303 5.286 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.383 7.274 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.210 5.937 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.039 7.306 6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.044 7.536 6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.765 7.577 8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.084 6.388 8.123 1.00 0.00 H new ATOM 762 N ALA A 51 9.059 4.743 10.659 1.00 0.00 N ATOM 763 CA ALA A 51 9.381 5.317 11.959 1.00 0.00 C ATOM 764 C ALA A 51 10.616 4.655 12.561 1.00 0.00 C ATOM 765 O ALA A 51 11.648 5.299 12.750 1.00 0.00 O ATOM 766 CB ALA A 51 8.195 5.185 12.903 1.00 0.00 C ATOM 0 H ALA A 51 8.096 4.418 10.568 1.00 0.00 H new ATOM 0 HA ALA A 51 9.601 6.375 11.817 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.450 5.618 13.870 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.337 5.711 12.485 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.947 4.131 13.031 1.00 0.00 H new ATOM 772 N SER A 52 10.503 3.365 12.862 1.00 0.00 N ATOM 773 CA SER A 52 11.609 2.617 13.447 1.00 0.00 C ATOM 774 C SER A 52 12.749 2.460 12.445 1.00 0.00 C ATOM 775 O SER A 52 13.880 2.869 12.706 1.00 0.00 O ATOM 776 CB SER A 52 11.131 1.241 13.913 1.00 0.00 C ATOM 777 OG SER A 52 10.477 0.546 12.866 1.00 0.00 O ATOM 0 H SER A 52 9.657 2.817 12.710 1.00 0.00 H new ATOM 0 HA SER A 52 11.979 3.176 14.307 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.982 0.657 14.265 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.451 1.356 14.757 1.00 0.00 H new ATOM 0 HG SER A 52 10.182 -0.331 13.189 1.00 0.00 H new ATOM 783 N SER A 53 12.442 1.863 11.298 1.00 0.00 N ATOM 784 CA SER A 53 13.440 1.647 10.257 1.00 0.00 C ATOM 785 C SER A 53 14.172 2.945 9.929 1.00 0.00 C ATOM 786 O SER A 53 13.960 3.971 10.577 1.00 0.00 O ATOM 787 CB SER A 53 12.780 1.088 8.995 1.00 0.00 C ATOM 788 OG SER A 53 12.624 -0.318 9.081 1.00 0.00 O ATOM 0 H SER A 53 11.510 1.520 11.066 1.00 0.00 H new ATOM 0 HA SER A 53 14.166 0.924 10.629 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.807 1.557 8.852 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.385 1.337 8.123 1.00 0.00 H new ATOM 0 HG SER A 53 12.199 -0.651 8.263 1.00 0.00 H new ATOM 794 N ILE A 54 15.034 2.892 8.920 1.00 0.00 N ATOM 795 CA ILE A 54 15.797 4.062 8.504 1.00 0.00 C ATOM 796 C ILE A 54 15.035 4.874 7.462 1.00 0.00 C ATOM 797 O ILE A 54 13.870 4.600 7.178 1.00 0.00 O ATOM 798 CB ILE A 54 17.169 3.665 7.927 1.00 0.00 C ATOM 799 CG1 ILE A 54 17.623 2.325 8.510 1.00 0.00 C ATOM 800 CG2 ILE A 54 18.198 4.748 8.213 1.00 0.00 C ATOM 801 CD1 ILE A 54 19.026 1.934 8.104 1.00 0.00 C ATOM 0 H ILE A 54 15.222 2.051 8.375 1.00 0.00 H new ATOM 0 HA ILE A 54 15.950 4.671 9.395 1.00 0.00 H new ATOM 0 HB ILE A 54 17.074 3.557 6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 54 17.569 2.374 9.598 1.00 0.00 H new ATOM 0 HG13 ILE A 54 16.931 1.546 8.191 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.162 4.452 7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.878 5.684 7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 54 18.292 4.885 9.290 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.281 0.974 8.554 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.081 1.852 7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.729 2.693 8.447 1.00 0.00 H new ATOM 813 N ASN A 55 15.703 5.873 6.894 1.00 0.00 N ATOM 814 CA ASN A 55 15.089 6.724 5.881 1.00 0.00 C ATOM 815 C ASN A 55 14.238 5.899 4.921 1.00 0.00 C ATOM 816 O ASN A 55 13.323 6.418 4.283 1.00 0.00 O ATOM 817 CB ASN A 55 16.166 7.483 5.103 1.00 0.00 C ATOM 818 CG ASN A 55 17.075 6.556 4.320 1.00 0.00 C ATOM 819 OD1 ASN A 55 16.647 5.908 3.365 1.00 0.00 O ATOM 820 ND2 ASN A 55 18.339 6.488 4.723 1.00 0.00 N ATOM 0 H ASN A 55 16.669 6.113 7.118 1.00 0.00 H new ATOM 0 HA ASN A 55 14.442 7.441 6.387 1.00 0.00 H new ATOM 0 HB2 ASN A 55 15.689 8.184 4.418 1.00 0.00 H new ATOM 0 HB3 ASN A 55 16.764 8.073 5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 55 18.998 5.881 4.235 1.00 0.00 H new ATOM 0 HD22 ASN A 55 18.651 7.043 5.520 1.00 0.00 H new ATOM 827 N GLY A 56 14.546 4.609 4.823 1.00 0.00 N ATOM 828 CA GLY A 56 13.800 3.733 3.939 1.00 0.00 C ATOM 829 C GLY A 56 12.937 2.743 4.697 1.00 0.00 C ATOM 830 O GLY A 56 13.236 2.396 5.840 1.00 0.00 O ATOM 0 H GLY A 56 15.299 4.155 5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.169 4.334 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.495 3.189 3.300 1.00 0.00 H new ATOM 834 N VAL A 57 11.863 2.288 4.061 1.00 0.00 N ATOM 835 CA VAL A 57 10.953 1.333 4.682 1.00 0.00 C ATOM 836 C VAL A 57 11.214 -0.082 4.177 1.00 0.00 C ATOM 837 O VAL A 57 11.182 -0.339 2.974 1.00 0.00 O ATOM 838 CB VAL A 57 9.482 1.700 4.411 1.00 0.00 C ATOM 839 CG1 VAL A 57 8.551 0.675 5.039 1.00 0.00 C ATOM 840 CG2 VAL A 57 9.178 3.097 4.929 1.00 0.00 C ATOM 0 H VAL A 57 11.601 2.565 3.115 1.00 0.00 H new ATOM 0 HA VAL A 57 11.137 1.373 5.756 1.00 0.00 H new ATOM 0 HB VAL A 57 9.316 1.693 3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.516 0.951 4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.753 -0.308 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.715 0.646 6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.134 3.340 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.360 3.134 6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.821 3.819 4.427 1.00 0.00 H new ATOM 850 N ARG A 58 11.472 -0.997 5.106 1.00 0.00 N ATOM 851 CA ARG A 58 11.739 -2.387 4.755 1.00 0.00 C ATOM 852 C ARG A 58 10.437 -3.149 4.523 1.00 0.00 C ATOM 853 O ARG A 58 9.639 -3.329 5.443 1.00 0.00 O ATOM 854 CB ARG A 58 12.551 -3.067 5.859 1.00 0.00 C ATOM 855 CG ARG A 58 12.805 -4.544 5.606 1.00 0.00 C ATOM 856 CD ARG A 58 13.571 -5.182 6.755 1.00 0.00 C ATOM 857 NE ARG A 58 12.800 -5.180 7.995 1.00 0.00 N ATOM 858 CZ ARG A 58 13.110 -5.919 9.054 1.00 0.00 C ATOM 859 NH1 ARG A 58 14.171 -6.714 9.025 1.00 0.00 N ATOM 860 NH2 ARG A 58 12.359 -5.863 10.147 1.00 0.00 N ATOM 0 H ARG A 58 11.502 -0.801 6.107 1.00 0.00 H new ATOM 0 HA ARG A 58 12.316 -2.398 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.508 -2.555 5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.025 -2.955 6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.854 -5.060 5.470 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.368 -4.664 4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.832 -6.207 6.492 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.507 -4.645 6.909 1.00 0.00 H new ATOM 0 HE ARG A 58 11.978 -4.578 8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.752 -6.759 8.188 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.406 -7.280 9.840 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.543 -5.252 10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.598 -6.431 10.960 1.00 0.00 H new ATOM 874 N CYS A 59 10.230 -3.594 3.289 1.00 0.00 N ATOM 875 CA CYS A 59 9.026 -4.336 2.935 1.00 0.00 C ATOM 876 C CYS A 59 9.052 -5.736 3.539 1.00 0.00 C ATOM 877 O CYS A 59 9.952 -6.535 3.279 1.00 0.00 O ATOM 878 CB CYS A 59 8.887 -4.427 1.414 1.00 0.00 C ATOM 879 SG CYS A 59 7.258 -5.019 0.850 1.00 0.00 S ATOM 0 H CYS A 59 10.881 -3.454 2.516 1.00 0.00 H new ATOM 0 HA CYS A 59 8.167 -3.801 3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.073 -3.443 0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.658 -5.095 1.029 1.00 0.00 H new ATOM 884 N PRO A 60 8.041 -6.043 4.366 1.00 0.00 N ATOM 885 CA PRO A 60 7.925 -7.347 5.025 1.00 0.00 C ATOM 886 C PRO A 60 7.590 -8.464 4.043 1.00 0.00 C ATOM 887 O PRO A 60 7.389 -9.613 4.438 1.00 0.00 O ATOM 888 CB PRO A 60 6.776 -7.143 6.016 1.00 0.00 C ATOM 889 CG PRO A 60 5.962 -6.042 5.430 1.00 0.00 C ATOM 890 CD PRO A 60 6.934 -5.139 4.722 1.00 0.00 C ATOM 0 HA PRO A 60 8.861 -7.652 5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.187 -8.053 6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.149 -6.877 7.005 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.217 -6.434 4.737 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.421 -5.501 6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.488 -4.682 3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.270 -4.326 5.366 1.00 0.00 H new ATOM 898 N PHE A 61 7.530 -8.121 2.761 1.00 0.00 N ATOM 899 CA PHE A 61 7.218 -9.095 1.722 1.00 0.00 C ATOM 900 C PHE A 61 8.464 -9.446 0.913 1.00 0.00 C ATOM 901 O PHE A 61 8.896 -10.599 0.886 1.00 0.00 O ATOM 902 CB PHE A 61 6.130 -8.551 0.793 1.00 0.00 C ATOM 903 CG PHE A 61 4.868 -8.164 1.509 1.00 0.00 C ATOM 904 CD1 PHE A 61 4.173 -9.094 2.266 1.00 0.00 C ATOM 905 CD2 PHE A 61 4.378 -6.871 1.428 1.00 0.00 C ATOM 906 CE1 PHE A 61 3.011 -8.741 2.925 1.00 0.00 C ATOM 907 CE2 PHE A 61 3.217 -6.512 2.086 1.00 0.00 C ATOM 908 CZ PHE A 61 2.533 -7.448 2.836 1.00 0.00 C ATOM 0 H PHE A 61 7.693 -7.175 2.416 1.00 0.00 H new ATOM 0 HA PHE A 61 6.853 -10.001 2.206 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.518 -7.682 0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.895 -9.305 0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.544 -10.106 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.910 -6.135 0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.477 -9.476 3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.845 -5.501 2.014 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.626 -7.170 3.352 1.00 0.00 H new ATOM 918 N CYS A 62 9.037 -8.444 0.256 1.00 0.00 N ATOM 919 CA CYS A 62 10.232 -8.645 -0.554 1.00 0.00 C ATOM 920 C CYS A 62 11.483 -8.212 0.205 1.00 0.00 C ATOM 921 O CYS A 62 12.584 -8.688 -0.071 1.00 0.00 O ATOM 922 CB CYS A 62 10.123 -7.863 -1.865 1.00 0.00 C ATOM 923 SG CYS A 62 9.925 -6.065 -1.644 1.00 0.00 S ATOM 0 H CYS A 62 8.693 -7.484 0.269 1.00 0.00 H new ATOM 0 HA CYS A 62 10.313 -9.709 -0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 62 11.016 -8.049 -2.462 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.275 -8.244 -2.434 1.00 0.00 H new ATOM 928 N SER A 63 11.304 -7.309 1.163 1.00 0.00 N ATOM 929 CA SER A 63 12.418 -6.809 1.961 1.00 0.00 C ATOM 930 C SER A 63 13.267 -5.831 1.156 1.00 0.00 C ATOM 931 O SER A 63 14.495 -5.927 1.134 1.00 0.00 O ATOM 932 CB SER A 63 13.284 -7.972 2.450 1.00 0.00 C ATOM 933 OG SER A 63 14.106 -7.575 3.534 1.00 0.00 O ATOM 0 H SER A 63 10.398 -6.908 1.406 1.00 0.00 H new ATOM 0 HA SER A 63 12.008 -6.282 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.646 -8.800 2.758 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.906 -8.336 1.632 1.00 0.00 H new ATOM 0 HG SER A 63 14.657 -6.811 3.264 1.00 0.00 H new ATOM 939 N LYS A 64 12.605 -4.888 0.494 1.00 0.00 N ATOM 940 CA LYS A 64 13.296 -3.890 -0.313 1.00 0.00 C ATOM 941 C LYS A 64 13.229 -2.516 0.346 1.00 0.00 C ATOM 942 O LYS A 64 12.151 -1.939 0.493 1.00 0.00 O ATOM 943 CB LYS A 64 12.686 -3.825 -1.715 1.00 0.00 C ATOM 944 CG LYS A 64 13.191 -4.910 -2.649 1.00 0.00 C ATOM 945 CD LYS A 64 12.559 -4.798 -4.027 1.00 0.00 C ATOM 946 CE LYS A 64 13.273 -5.679 -5.040 1.00 0.00 C ATOM 947 NZ LYS A 64 14.401 -4.964 -5.700 1.00 0.00 N ATOM 0 H LYS A 64 11.589 -4.794 0.501 1.00 0.00 H new ATOM 0 HA LYS A 64 14.342 -4.185 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.602 -3.903 -1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.904 -2.851 -2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.275 -4.839 -2.738 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.969 -5.889 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.509 -5.084 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.590 -3.760 -4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.651 -6.572 -4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.562 -6.012 -5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.862 -5.598 -6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.037 -4.126 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.092 -4.668 -4.982 1.00 0.00 H new ATOM 961 N ILE A 65 14.387 -1.997 0.741 1.00 0.00 N ATOM 962 CA ILE A 65 14.459 -0.690 1.382 1.00 0.00 C ATOM 963 C ILE A 65 13.984 0.411 0.440 1.00 0.00 C ATOM 964 O ILE A 65 14.563 0.625 -0.626 1.00 0.00 O ATOM 965 CB ILE A 65 15.891 -0.369 1.847 1.00 0.00 C ATOM 966 CG1 ILE A 65 16.370 -1.416 2.855 1.00 0.00 C ATOM 967 CG2 ILE A 65 15.951 1.025 2.456 1.00 0.00 C ATOM 968 CD1 ILE A 65 15.571 -1.430 4.139 1.00 0.00 C ATOM 0 H ILE A 65 15.288 -2.462 0.628 1.00 0.00 H new ATOM 0 HA ILE A 65 13.803 -0.729 2.252 1.00 0.00 H new ATOM 0 HB ILE A 65 16.552 -0.395 0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.318 -2.402 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.418 -1.229 3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 65 16.970 1.237 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.646 1.761 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.280 1.077 3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 65 15.967 -2.196 4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.643 -0.456 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.527 -1.648 3.915 1.00 0.00 H new ATOM 980 N THR A 66 12.926 1.110 0.841 1.00 0.00 N ATOM 981 CA THR A 66 12.373 2.190 0.033 1.00 0.00 C ATOM 982 C THR A 66 12.943 3.539 0.455 1.00 0.00 C ATOM 983 O THR A 66 12.348 4.249 1.267 1.00 0.00 O ATOM 984 CB THR A 66 10.837 2.240 0.138 1.00 0.00 C ATOM 985 OG1 THR A 66 10.302 0.911 0.117 1.00 0.00 O ATOM 986 CG2 THR A 66 10.243 3.049 -1.005 1.00 0.00 C ATOM 0 H THR A 66 12.435 0.947 1.720 1.00 0.00 H new ATOM 0 HA THR A 66 12.653 1.987 -1.001 1.00 0.00 H new ATOM 0 HB THR A 66 10.574 2.723 1.079 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.457 0.482 0.984 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.157 3.070 -0.910 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.630 4.067 -0.970 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.515 2.590 -1.955 1.00 0.00 H new ATOM 994 N ARG A 67 14.099 3.888 -0.101 1.00 0.00 N ATOM 995 CA ARG A 67 14.749 5.153 0.219 1.00 0.00 C ATOM 996 C ARG A 67 13.805 6.327 -0.024 1.00 0.00 C ATOM 997 O ARG A 67 13.767 6.890 -1.119 1.00 0.00 O ATOM 998 CB ARG A 67 16.018 5.324 -0.618 1.00 0.00 C ATOM 999 CG ARG A 67 17.110 4.322 -0.281 1.00 0.00 C ATOM 1000 CD ARG A 67 16.994 3.066 -1.130 1.00 0.00 C ATOM 1001 NE ARG A 67 18.282 2.396 -1.295 1.00 0.00 N ATOM 1002 CZ ARG A 67 18.555 1.565 -2.294 1.00 0.00 C ATOM 1003 NH1 ARG A 67 17.636 1.304 -3.213 1.00 0.00 N ATOM 1004 NH2 ARG A 67 19.750 0.994 -2.376 1.00 0.00 N ATOM 0 H ARG A 67 14.604 3.313 -0.775 1.00 0.00 H new ATOM 0 HA ARG A 67 15.017 5.138 1.275 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.762 5.229 -1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.405 6.333 -0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 67 18.087 4.780 -0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 67 17.049 4.056 0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.285 2.380 -0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.593 3.326 -2.109 1.00 0.00 H new ATOM 0 HE ARG A 67 19.011 2.577 -0.605 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.717 1.742 -3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.848 0.665 -3.979 1.00 0.00 H new ATOM 0 HH21 ARG A 67 20.460 1.193 -1.671 1.00 0.00 H new ATOM 0 HH22 ARG A 67 19.959 0.356 -3.144 1.00 0.00 H new ATOM 1018 N ILE A 68 13.044 6.690 1.003 1.00 0.00 N ATOM 1019 CA ILE A 68 12.100 7.796 0.901 1.00 0.00 C ATOM 1020 C ILE A 68 11.882 8.459 2.257 1.00 0.00 C ATOM 1021 O ILE A 68 11.234 7.895 3.140 1.00 0.00 O ATOM 1022 CB ILE A 68 10.742 7.328 0.346 1.00 0.00 C ATOM 1023 CG1 ILE A 68 10.258 6.089 1.101 1.00 0.00 C ATOM 1024 CG2 ILE A 68 10.850 7.040 -1.144 1.00 0.00 C ATOM 1025 CD1 ILE A 68 8.765 6.074 1.343 1.00 0.00 C ATOM 0 H ILE A 68 13.063 6.234 1.915 1.00 0.00 H new ATOM 0 HA ILE A 68 12.535 8.519 0.211 1.00 0.00 H new ATOM 0 HB ILE A 68 10.013 8.125 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.535 5.198 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.774 6.033 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.882 6.710 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 68 11.155 7.946 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.590 6.258 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.493 5.167 1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.483 6.946 1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.241 6.098 0.387 1.00 0.00 H new ATOM 1037 N THR A 69 12.425 9.662 2.416 1.00 0.00 N ATOM 1038 CA THR A 69 12.289 10.403 3.664 1.00 0.00 C ATOM 1039 C THR A 69 10.823 10.657 3.995 1.00 0.00 C ATOM 1040 O THR A 69 10.431 10.650 5.162 1.00 0.00 O ATOM 1041 CB THR A 69 13.031 11.751 3.600 1.00 0.00 C ATOM 1042 OG1 THR A 69 12.939 12.421 4.863 1.00 0.00 O ATOM 1043 CG2 THR A 69 12.452 12.636 2.507 1.00 0.00 C ATOM 0 H THR A 69 12.963 10.144 1.696 1.00 0.00 H new ATOM 0 HA THR A 69 12.734 9.789 4.447 1.00 0.00 H new ATOM 0 HB THR A 69 14.078 11.554 3.369 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.414 13.277 4.815 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.992 13.582 2.481 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.550 12.136 1.544 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.398 12.825 2.712 1.00 0.00 H new ATOM 1051 N SER A 70 10.018 10.882 2.962 1.00 0.00 N ATOM 1052 CA SER A 70 8.595 11.142 3.144 1.00 0.00 C ATOM 1053 C SER A 70 7.756 10.028 2.527 1.00 0.00 C ATOM 1054 O SER A 70 8.254 9.224 1.737 1.00 0.00 O ATOM 1055 CB SER A 70 8.217 12.487 2.520 1.00 0.00 C ATOM 1056 OG SER A 70 8.973 13.543 3.087 1.00 0.00 O ATOM 0 H SER A 70 10.327 10.889 1.990 1.00 0.00 H new ATOM 0 HA SER A 70 8.391 11.176 4.214 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.385 12.452 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.154 12.675 2.670 1.00 0.00 H new ATOM 0 HG SER A 70 8.714 14.391 2.670 1.00 0.00 H new ATOM 1062 N LEU A 71 6.479 9.986 2.892 1.00 0.00 N ATOM 1063 CA LEU A 71 5.568 8.971 2.375 1.00 0.00 C ATOM 1064 C LEU A 71 5.167 9.281 0.936 1.00 0.00 C ATOM 1065 O LEU A 71 4.839 8.380 0.163 1.00 0.00 O ATOM 1066 CB LEU A 71 4.321 8.879 3.256 1.00 0.00 C ATOM 1067 CG LEU A 71 4.570 8.758 4.760 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.288 9.021 5.535 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.128 7.384 5.099 1.00 0.00 C ATOM 0 H LEU A 71 6.051 10.643 3.544 1.00 0.00 H new ATOM 0 HA LEU A 71 6.086 8.012 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.709 9.764 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.736 8.017 2.934 1.00 0.00 H new ATOM 0 HG LEU A 71 5.306 9.508 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.484 8.931 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.930 10.027 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.530 8.294 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.299 7.316 6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.416 6.617 4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.070 7.233 4.571 1.00 0.00 H new ATOM 1081 N THR A 72 5.196 10.562 0.582 1.00 0.00 N ATOM 1082 CA THR A 72 4.837 10.992 -0.763 1.00 0.00 C ATOM 1083 C THR A 72 5.977 10.743 -1.743 1.00 0.00 C ATOM 1084 O THR A 72 5.760 10.647 -2.950 1.00 0.00 O ATOM 1085 CB THR A 72 4.464 12.486 -0.795 1.00 0.00 C ATOM 1086 OG1 THR A 72 4.134 12.881 -2.131 1.00 0.00 O ATOM 1087 CG2 THR A 72 5.612 13.341 -0.277 1.00 0.00 C ATOM 0 H THR A 72 5.465 11.320 1.209 1.00 0.00 H new ATOM 0 HA THR A 72 3.970 10.403 -1.062 1.00 0.00 H new ATOM 0 HB THR A 72 3.599 12.636 -0.149 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.897 13.832 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.326 14.392 -0.309 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.841 13.058 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.492 13.185 -0.901 1.00 0.00 H new ATOM 1095 N GLN A 73 7.193 10.639 -1.215 1.00 0.00 N ATOM 1096 CA GLN A 73 8.368 10.402 -2.045 1.00 0.00 C ATOM 1097 C GLN A 73 8.233 9.094 -2.818 1.00 0.00 C ATOM 1098 O GLN A 73 8.352 9.069 -4.043 1.00 0.00 O ATOM 1099 CB GLN A 73 9.630 10.370 -1.182 1.00 0.00 C ATOM 1100 CG GLN A 73 10.228 11.744 -0.927 1.00 0.00 C ATOM 1101 CD GLN A 73 10.638 12.448 -2.205 1.00 0.00 C ATOM 1102 OE1 GLN A 73 10.150 13.536 -2.512 1.00 0.00 O ATOM 1103 NE2 GLN A 73 11.541 11.830 -2.958 1.00 0.00 N ATOM 0 H GLN A 73 7.390 10.715 -0.217 1.00 0.00 H new ATOM 0 HA GLN A 73 8.447 11.220 -2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.394 9.902 -0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.377 9.743 -1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.502 12.359 -0.395 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.097 11.643 -0.277 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.919 10.929 -2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.857 12.256 -3.829 1.00 0.00 H new ATOM 1112 N LEU A 74 7.983 8.008 -2.094 1.00 0.00 N ATOM 1113 CA LEU A 74 7.832 6.695 -2.711 1.00 0.00 C ATOM 1114 C LEU A 74 6.775 6.728 -3.810 1.00 0.00 C ATOM 1115 O LEU A 74 6.238 7.787 -4.139 1.00 0.00 O ATOM 1116 CB LEU A 74 7.455 5.654 -1.656 1.00 0.00 C ATOM 1117 CG LEU A 74 6.303 6.030 -0.724 1.00 0.00 C ATOM 1118 CD1 LEU A 74 4.998 6.130 -1.500 1.00 0.00 C ATOM 1119 CD2 LEU A 74 6.178 5.018 0.405 1.00 0.00 C ATOM 0 H LEU A 74 7.881 8.011 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 74 8.787 6.420 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.195 4.727 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.335 5.447 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 74 6.518 7.006 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.190 6.398 -0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.091 6.894 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.777 5.169 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.353 5.302 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.987 4.029 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.104 4.997 0.979 1.00 0.00 H new ATOM 1131 N THR A 75 6.478 5.562 -4.375 1.00 0.00 N ATOM 1132 CA THR A 75 5.485 5.457 -5.436 1.00 0.00 C ATOM 1133 C THR A 75 4.072 5.420 -4.865 1.00 0.00 C ATOM 1134 O THR A 75 3.794 4.684 -3.918 1.00 0.00 O ATOM 1135 CB THR A 75 5.711 4.199 -6.296 1.00 0.00 C ATOM 1136 OG1 THR A 75 6.983 4.275 -6.950 1.00 0.00 O ATOM 1137 CG2 THR A 75 4.609 4.047 -7.333 1.00 0.00 C ATOM 0 H THR A 75 6.912 4.676 -4.115 1.00 0.00 H new ATOM 0 HA THR A 75 5.599 6.342 -6.063 1.00 0.00 H new ATOM 0 HB THR A 75 5.692 3.329 -5.640 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.120 3.471 -7.493 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.790 3.152 -7.928 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.646 3.960 -6.830 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.600 4.920 -7.985 1.00 0.00 H new ATOM 1145 N ASP A 76 3.183 6.218 -5.446 1.00 0.00 N ATOM 1146 CA ASP A 76 1.797 6.276 -4.995 1.00 0.00 C ATOM 1147 C ASP A 76 0.996 5.102 -5.550 1.00 0.00 C ATOM 1148 O ASP A 76 1.335 4.544 -6.593 1.00 0.00 O ATOM 1149 CB ASP A 76 1.154 7.596 -5.423 1.00 0.00 C ATOM 1150 CG ASP A 76 1.974 8.801 -5.007 1.00 0.00 C ATOM 1151 OD1 ASP A 76 2.625 8.738 -3.942 1.00 0.00 O ATOM 1152 OD2 ASP A 76 1.966 9.807 -5.746 1.00 0.00 O ATOM 0 H ASP A 76 3.397 6.834 -6.230 1.00 0.00 H new ATOM 0 HA ASP A 76 1.792 6.214 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.029 7.602 -6.506 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.158 7.670 -4.987 1.00 0.00 H new ATOM 1157 N ASN A 77 -0.068 4.732 -4.844 1.00 0.00 N ATOM 1158 CA ASN A 77 -0.916 3.623 -5.266 1.00 0.00 C ATOM 1159 C ASN A 77 -2.383 4.043 -5.299 1.00 0.00 C ATOM 1160 O ASN A 77 -3.194 3.570 -4.502 1.00 0.00 O ATOM 1161 CB ASN A 77 -0.737 2.430 -4.324 1.00 0.00 C ATOM 1162 CG ASN A 77 -1.630 1.262 -4.695 1.00 0.00 C ATOM 1163 OD1 ASN A 77 -2.758 1.152 -4.214 1.00 0.00 O ATOM 1164 ND2 ASN A 77 -1.128 0.383 -5.554 1.00 0.00 N ATOM 0 H ASN A 77 -0.363 5.183 -3.978 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.617 3.331 -6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.304 2.108 -4.343 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.956 2.741 -3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.682 -0.424 -5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.188 0.514 -5.927 1.00 0.00 H new ATOM 1171 N LEU A 78 -2.717 4.932 -6.228 1.00 0.00 N ATOM 1172 CA LEU A 78 -4.086 5.415 -6.367 1.00 0.00 C ATOM 1173 C LEU A 78 -4.913 4.467 -7.228 1.00 0.00 C ATOM 1174 O LEU A 78 -5.944 4.852 -7.782 1.00 0.00 O ATOM 1175 CB LEU A 78 -4.093 6.817 -6.981 1.00 0.00 C ATOM 1176 CG LEU A 78 -3.273 6.994 -8.259 1.00 0.00 C ATOM 1177 CD1 LEU A 78 -1.848 7.407 -7.926 1.00 0.00 C ATOM 1178 CD2 LEU A 78 -3.281 5.713 -9.080 1.00 0.00 C ATOM 0 H LEU A 78 -2.059 5.333 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.533 5.457 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.126 7.093 -7.195 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.723 7.520 -6.235 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.729 7.785 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.279 7.528 -8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.861 8.351 -7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.381 6.638 -7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.692 5.858 -9.986 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.850 4.902 -8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.306 5.460 -9.350 1.00 0.00 H new ATOM 1190 N THR A 79 -4.457 3.223 -7.336 1.00 0.00 N ATOM 1191 CA THR A 79 -5.155 2.218 -8.128 1.00 0.00 C ATOM 1192 C THR A 79 -6.284 1.575 -7.331 1.00 0.00 C ATOM 1193 O THR A 79 -7.313 1.196 -7.888 1.00 0.00 O ATOM 1194 CB THR A 79 -4.193 1.118 -8.614 1.00 0.00 C ATOM 1195 OG1 THR A 79 -4.879 0.220 -9.493 1.00 0.00 O ATOM 1196 CG2 THR A 79 -3.619 0.343 -7.437 1.00 0.00 C ATOM 0 H THR A 79 -3.606 2.887 -6.884 1.00 0.00 H new ATOM 0 HA THR A 79 -5.573 2.733 -8.993 1.00 0.00 H new ATOM 0 HB THR A 79 -3.373 1.595 -9.150 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.260 -0.475 -9.799 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.942 -0.429 -7.805 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.072 1.024 -6.785 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.430 -0.122 -6.877 1.00 0.00 H new ATOM 1204 N VAL A 80 -6.084 1.456 -6.022 1.00 0.00 N ATOM 1205 CA VAL A 80 -7.086 0.860 -5.146 1.00 0.00 C ATOM 1206 C VAL A 80 -8.217 1.841 -4.860 1.00 0.00 C ATOM 1207 O VAL A 80 -9.360 1.439 -4.634 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.466 0.404 -3.812 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -5.612 -0.837 -4.017 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.648 1.528 -3.194 1.00 0.00 C ATOM 0 H VAL A 80 -5.237 1.765 -5.545 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.486 -0.010 -5.667 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.272 0.151 -3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.182 -1.144 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.230 -1.643 -4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.810 -0.615 -4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.217 1.189 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.848 1.814 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.292 2.388 -3.010 1.00 0.00 H new ATOM 1220 N LEU A 81 -7.893 3.129 -4.870 1.00 0.00 N ATOM 1221 CA LEU A 81 -8.883 4.169 -4.611 1.00 0.00 C ATOM 1222 C LEU A 81 -9.826 4.331 -5.799 1.00 0.00 C ATOM 1223 O LEU A 81 -11.029 4.532 -5.629 1.00 0.00 O ATOM 1224 CB LEU A 81 -8.189 5.499 -4.312 1.00 0.00 C ATOM 1225 CG LEU A 81 -7.106 5.462 -3.233 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -6.259 6.724 -3.284 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -7.731 5.293 -1.856 1.00 0.00 C ATOM 0 H LEU A 81 -6.953 3.479 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.470 3.869 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.742 5.868 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.947 6.223 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.459 4.606 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.494 6.680 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.782 6.803 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.893 7.595 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.946 5.269 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.402 6.129 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.294 4.360 -1.824 1.00 0.00 H new ATOM 1239 N LYS A 82 -9.273 4.239 -7.004 1.00 0.00 N ATOM 1240 CA LYS A 82 -10.064 4.372 -8.221 1.00 0.00 C ATOM 1241 C LYS A 82 -9.550 3.433 -9.309 1.00 0.00 C ATOM 1242 O LYS A 82 -8.346 3.352 -9.554 1.00 0.00 O ATOM 1243 CB LYS A 82 -10.028 5.817 -8.723 1.00 0.00 C ATOM 1244 CG LYS A 82 -11.089 6.705 -8.095 1.00 0.00 C ATOM 1245 CD LYS A 82 -12.372 6.700 -8.909 1.00 0.00 C ATOM 1246 CE LYS A 82 -12.258 7.593 -10.135 1.00 0.00 C ATOM 1247 NZ LYS A 82 -11.746 6.847 -11.318 1.00 0.00 N ATOM 0 H LYS A 82 -8.279 4.073 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 82 -11.093 4.101 -7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.044 6.240 -8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.157 5.820 -9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.298 6.363 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.711 7.724 -8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.603 5.681 -9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.200 7.039 -8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.235 8.017 -10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.592 8.428 -9.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.316 7.088 -12.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.754 7.106 -11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.811 5.825 -11.138 1.00 0.00 H new ATOM 1261 N SER A 83 -10.470 2.727 -9.958 1.00 0.00 N ATOM 1262 CA SER A 83 -10.110 1.793 -11.018 1.00 0.00 C ATOM 1263 C SER A 83 -9.352 2.504 -12.135 1.00 0.00 C ATOM 1264 O SER A 83 -9.925 3.298 -12.880 1.00 0.00 O ATOM 1265 CB SER A 83 -11.363 1.121 -11.583 1.00 0.00 C ATOM 1266 OG SER A 83 -11.870 0.150 -10.684 1.00 0.00 O ATOM 0 H SER A 83 -11.471 2.784 -9.768 1.00 0.00 H new ATOM 0 HA SER A 83 -9.460 1.030 -10.590 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.127 1.874 -11.779 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.128 0.650 -12.537 1.00 0.00 H new ATOM 0 HG SER A 83 -12.671 -0.264 -11.067 1.00 0.00 H new ATOM 1272 N GLY A 84 -8.060 2.212 -12.244 1.00 0.00 N ATOM 1273 CA GLY A 84 -7.244 2.832 -13.272 1.00 0.00 C ATOM 1274 C GLY A 84 -6.108 1.938 -13.728 1.00 0.00 C ATOM 1275 O GLY A 84 -5.803 0.919 -13.106 1.00 0.00 O ATOM 0 H GLY A 84 -7.564 1.558 -11.639 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.871 3.082 -14.128 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.835 3.768 -12.892 1.00 0.00 H new ATOM 1279 N PRO A 85 -5.461 2.317 -14.840 1.00 0.00 N ATOM 1280 CA PRO A 85 -4.343 1.555 -15.404 1.00 0.00 C ATOM 1281 C PRO A 85 -3.093 1.629 -14.534 1.00 0.00 C ATOM 1282 O PRO A 85 -3.108 2.229 -13.459 1.00 0.00 O ATOM 1283 CB PRO A 85 -4.096 2.234 -16.754 1.00 0.00 C ATOM 1284 CG PRO A 85 -4.606 3.622 -16.578 1.00 0.00 C ATOM 1285 CD PRO A 85 -5.770 3.519 -15.632 1.00 0.00 C ATOM 0 HA PRO A 85 -4.572 0.492 -15.481 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.037 2.231 -17.011 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.621 1.718 -17.558 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.831 4.274 -16.174 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.915 4.048 -17.532 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.855 4.404 -15.002 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.714 3.416 -16.167 1.00 0.00 H new ATOM 1293 N SER A 86 -2.012 1.015 -15.005 1.00 0.00 N ATOM 1294 CA SER A 86 -0.754 1.009 -14.267 1.00 0.00 C ATOM 1295 C SER A 86 -0.071 2.372 -14.347 1.00 0.00 C ATOM 1296 O SER A 86 0.211 2.874 -15.434 1.00 0.00 O ATOM 1297 CB SER A 86 0.178 -0.073 -14.815 1.00 0.00 C ATOM 1298 OG SER A 86 -0.461 -1.338 -14.825 1.00 0.00 O ATOM 0 H SER A 86 -1.982 0.516 -15.894 1.00 0.00 H new ATOM 0 HA SER A 86 -0.975 0.793 -13.222 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.490 0.189 -15.826 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.081 -0.123 -14.206 1.00 0.00 H new ATOM 0 HG SER A 86 0.154 -2.013 -15.181 1.00 0.00 H new ATOM 1304 N SER A 87 0.191 2.964 -13.186 1.00 0.00 N ATOM 1305 CA SER A 87 0.837 4.270 -13.123 1.00 0.00 C ATOM 1306 C SER A 87 2.342 4.122 -12.926 1.00 0.00 C ATOM 1307 O SER A 87 2.798 3.318 -12.113 1.00 0.00 O ATOM 1308 CB SER A 87 0.242 5.102 -11.985 1.00 0.00 C ATOM 1309 OG SER A 87 0.399 6.489 -12.232 1.00 0.00 O ATOM 0 H SER A 87 -0.034 2.560 -12.277 1.00 0.00 H new ATOM 0 HA SER A 87 0.660 4.782 -14.069 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.816 4.867 -11.873 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.728 4.839 -11.045 1.00 0.00 H new ATOM 0 HG SER A 87 0.009 6.999 -11.492 1.00 0.00 H new ATOM 1315 N GLY A 88 3.111 4.904 -13.677 1.00 0.00 N ATOM 1316 CA GLY A 88 4.557 4.846 -13.571 1.00 0.00 C ATOM 1317 C GLY A 88 5.249 5.232 -14.864 1.00 0.00 C ATOM 1318 O GLY A 88 5.892 4.380 -15.476 1.00 0.00 O ATOM 0 H GLY A 88 2.758 5.577 -14.357 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.887 5.512 -12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.857 3.837 -13.289 1.00 0.00 H new TER 1322 GLY A 88 HETATM 1323 ZN ZN A 201 -1.712 -1.857 6.326 1.00 0.00 ZN HETATM 1324 ZN ZN A 401 7.693 -5.459 -1.418 1.00 0.00 ZN