USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 795 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 GLY N :NH3+ -128:sc= 0.118 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 1.3 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.185 K(o=-0.19,f=-2.5!) USER MOD Single : A 18 THR OG1 : rot 170:sc= -0.726 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 67:sc= 0.666 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= 0.478 (180deg=0.164) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 39 MET CE :methyl -175:sc= -2.08! (180deg=-2.3!) USER MOD Single : A 42 ASN : amide:sc=-0.00818 X(o=-0.0082,f=-0.46) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -6.14! C(o=-6.1!,f=-5.7!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 150:sc= -2.53! (180deg=-4.3!) USER MOD Single : A 67 GLN : amide:sc= -0.328 K(o=-0.33,f=-1.9!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 68:sc= 0.698 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.45 K(o=-0.45,f=-1.5) USER MOD Single : A 76 MET CE :methyl -175:sc= -2.07 (180deg=-2.09) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 80:sc= -2.37! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0326 K(o=-0.033,f=-1.8) USER MOD Single : A 83 MET CE :methyl -172:sc= -0.573 (180deg=-0.682) USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= 0.159 (180deg=0.158) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -136:sc= 0.964 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 36:sc= 1.13 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.223 -13.188 -1.836 1.00 0.00 N ATOM 2 CA GLY A 1 -34.787 -13.371 -1.960 1.00 0.00 C ATOM 3 C GLY A 1 -34.129 -13.493 -0.584 1.00 0.00 C ATOM 4 O GLY A 1 -34.806 -13.423 0.440 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.715 -13.888 -2.428 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.505 -13.315 -0.843 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.479 -12.230 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.580 -14.266 -2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.355 -12.529 -2.500 1.00 0.00 H new ATOM 8 N SER A 2 -32.816 -13.672 -0.604 1.00 0.00 N ATOM 9 CA SER A 2 -32.060 -13.804 0.629 1.00 0.00 C ATOM 10 C SER A 2 -30.570 -13.960 0.315 1.00 0.00 C ATOM 11 O SER A 2 -30.194 -14.738 -0.560 1.00 0.00 O ATOM 12 CB SER A 2 -32.555 -14.994 1.454 1.00 0.00 C ATOM 13 OG SER A 2 -33.588 -14.620 2.362 1.00 0.00 O ATOM 0 H SER A 2 -32.257 -13.729 -1.455 1.00 0.00 H new ATOM 0 HA SER A 2 -32.208 -12.900 1.219 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.924 -15.771 0.785 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.721 -15.422 2.010 1.00 0.00 H new ATOM 0 HG SER A 2 -34.126 -13.902 1.968 1.00 0.00 H new ATOM 19 N SER A 3 -29.762 -13.206 1.046 1.00 0.00 N ATOM 20 CA SER A 3 -28.322 -13.250 0.857 1.00 0.00 C ATOM 21 C SER A 3 -27.959 -12.695 -0.522 1.00 0.00 C ATOM 22 O SER A 3 -28.834 -12.476 -1.357 1.00 0.00 O ATOM 23 CB SER A 3 -27.790 -14.676 1.012 1.00 0.00 C ATOM 24 OG SER A 3 -28.256 -15.292 2.210 1.00 0.00 O ATOM 0 H SER A 3 -30.077 -12.561 1.770 1.00 0.00 H new ATOM 0 HA SER A 3 -27.857 -12.632 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.098 -15.273 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.700 -14.658 1.014 1.00 0.00 H new ATOM 0 HG SER A 3 -27.896 -16.201 2.272 1.00 0.00 H new ATOM 30 N GLY A 4 -26.665 -12.484 -0.717 1.00 0.00 N ATOM 31 CA GLY A 4 -26.175 -11.958 -1.980 1.00 0.00 C ATOM 32 C GLY A 4 -24.905 -12.688 -2.421 1.00 0.00 C ATOM 33 O GLY A 4 -24.703 -13.853 -2.080 1.00 0.00 O ATOM 0 H GLY A 4 -25.942 -12.668 -0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.944 -12.064 -2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.970 -10.892 -1.879 1.00 0.00 H new ATOM 37 N SER A 5 -24.082 -11.974 -3.174 1.00 0.00 N ATOM 38 CA SER A 5 -22.837 -12.539 -3.666 1.00 0.00 C ATOM 39 C SER A 5 -21.650 -11.735 -3.132 1.00 0.00 C ATOM 40 O SER A 5 -21.462 -10.577 -3.503 1.00 0.00 O ATOM 41 CB SER A 5 -22.812 -12.569 -5.196 1.00 0.00 C ATOM 42 OG SER A 5 -21.988 -13.619 -5.695 1.00 0.00 O ATOM 0 H SER A 5 -24.253 -11.009 -3.456 1.00 0.00 H new ATOM 0 HA SER A 5 -22.763 -13.566 -3.308 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.827 -12.694 -5.573 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.448 -11.613 -5.572 1.00 0.00 H new ATOM 0 HG SER A 5 -21.999 -13.606 -6.675 1.00 0.00 H new ATOM 48 N SER A 6 -20.879 -12.380 -2.269 1.00 0.00 N ATOM 49 CA SER A 6 -19.716 -11.740 -1.679 1.00 0.00 C ATOM 50 C SER A 6 -18.520 -11.852 -2.627 1.00 0.00 C ATOM 51 O SER A 6 -18.433 -12.795 -3.413 1.00 0.00 O ATOM 52 CB SER A 6 -19.376 -12.357 -0.321 1.00 0.00 C ATOM 53 OG SER A 6 -20.058 -11.704 0.747 1.00 0.00 O ATOM 0 H SER A 6 -21.037 -13.340 -1.964 1.00 0.00 H new ATOM 0 HA SER A 6 -19.949 -10.687 -1.521 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.640 -13.415 -0.327 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.300 -12.298 -0.155 1.00 0.00 H new ATOM 0 HG SER A 6 -19.816 -12.128 1.597 1.00 0.00 H new ATOM 59 N GLY A 7 -17.629 -10.878 -2.523 1.00 0.00 N ATOM 60 CA GLY A 7 -16.442 -10.855 -3.361 1.00 0.00 C ATOM 61 C GLY A 7 -15.215 -10.411 -2.563 1.00 0.00 C ATOM 62 O GLY A 7 -15.080 -9.235 -2.228 1.00 0.00 O ATOM 0 H GLY A 7 -17.705 -10.098 -1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.269 -11.847 -3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.599 -10.178 -4.201 1.00 0.00 H new ATOM 66 N GLU A 8 -14.352 -11.376 -2.280 1.00 0.00 N ATOM 67 CA GLU A 8 -13.140 -11.099 -1.528 1.00 0.00 C ATOM 68 C GLU A 8 -11.979 -10.804 -2.480 1.00 0.00 C ATOM 69 O GLU A 8 -12.047 -11.126 -3.665 1.00 0.00 O ATOM 70 CB GLU A 8 -12.800 -12.259 -0.590 1.00 0.00 C ATOM 71 CG GLU A 8 -13.542 -12.125 0.741 1.00 0.00 C ATOM 72 CD GLU A 8 -13.291 -13.342 1.634 1.00 0.00 C ATOM 73 OE1 GLU A 8 -13.989 -14.356 1.419 1.00 0.00 O ATOM 74 OE2 GLU A 8 -12.407 -13.230 2.510 1.00 0.00 O ATOM 0 H GLU A 8 -14.468 -12.350 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.312 -10.216 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.065 -13.204 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.725 -12.283 -0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.216 -11.220 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.611 -12.019 0.556 1.00 0.00 H new ATOM 81 N GLY A 9 -10.941 -10.195 -1.925 1.00 0.00 N ATOM 82 CA GLY A 9 -9.767 -9.854 -2.710 1.00 0.00 C ATOM 83 C GLY A 9 -8.919 -8.798 -1.998 1.00 0.00 C ATOM 84 O GLY A 9 -9.407 -8.102 -1.109 1.00 0.00 O ATOM 0 H GLY A 9 -10.889 -9.929 -0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.169 -10.749 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.074 -9.481 -3.687 1.00 0.00 H new ATOM 88 N TYR A 10 -7.665 -8.712 -2.415 1.00 0.00 N ATOM 89 CA TYR A 10 -6.745 -7.753 -1.828 1.00 0.00 C ATOM 90 C TYR A 10 -5.910 -7.062 -2.909 1.00 0.00 C ATOM 91 O TYR A 10 -6.011 -5.850 -3.096 1.00 0.00 O ATOM 92 CB TYR A 10 -5.815 -8.561 -0.921 1.00 0.00 C ATOM 93 CG TYR A 10 -6.478 -9.061 0.363 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.195 -8.187 1.155 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.360 -10.387 0.730 1.00 0.00 C ATOM 96 CE1 TYR A 10 -7.820 -8.658 2.364 1.00 0.00 C ATOM 97 CE2 TYR A 10 -6.985 -10.857 1.939 1.00 0.00 C ATOM 98 CZ TYR A 10 -7.684 -9.970 2.696 1.00 0.00 C ATOM 99 OH TYR A 10 -8.274 -10.414 3.838 1.00 0.00 O ATOM 0 H TYR A 10 -7.264 -9.291 -3.153 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.290 -6.981 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.434 -9.417 -1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.956 -7.945 -0.658 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.287 -7.150 0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.799 -11.071 0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.384 -7.985 2.993 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.900 -11.891 2.238 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.095 -11.371 3.948 1.00 0.00 H new ATOM 109 N GLU A 11 -5.104 -7.863 -3.591 1.00 0.00 N ATOM 110 CA GLU A 11 -4.253 -7.343 -4.648 1.00 0.00 C ATOM 111 C GLU A 11 -4.996 -6.273 -5.451 1.00 0.00 C ATOM 112 O GLU A 11 -4.496 -5.162 -5.622 1.00 0.00 O ATOM 113 CB GLU A 11 -3.761 -8.470 -5.559 1.00 0.00 C ATOM 114 CG GLU A 11 -2.696 -9.316 -4.859 1.00 0.00 C ATOM 115 CD GLU A 11 -3.336 -10.467 -4.080 1.00 0.00 C ATOM 116 OE1 GLU A 11 -3.847 -10.189 -2.974 1.00 0.00 O ATOM 117 OE2 GLU A 11 -3.299 -11.599 -4.608 1.00 0.00 O ATOM 0 H GLU A 11 -5.022 -8.867 -3.432 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.378 -6.882 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.601 -9.102 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.350 -8.048 -6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.000 -9.714 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.117 -8.690 -4.180 1.00 0.00 H new ATOM 124 N GLN A 12 -6.177 -6.645 -5.921 1.00 0.00 N ATOM 125 CA GLN A 12 -6.994 -5.731 -6.701 1.00 0.00 C ATOM 126 C GLN A 12 -7.135 -4.392 -5.974 1.00 0.00 C ATOM 127 O GLN A 12 -6.626 -3.373 -6.438 1.00 0.00 O ATOM 128 CB GLN A 12 -8.365 -6.340 -7.000 1.00 0.00 C ATOM 129 CG GLN A 12 -9.070 -5.579 -8.125 1.00 0.00 C ATOM 130 CD GLN A 12 -10.583 -5.543 -7.899 1.00 0.00 C ATOM 131 OE1 GLN A 12 -11.099 -6.023 -6.903 1.00 0.00 O ATOM 132 NE2 GLN A 12 -11.262 -4.948 -8.876 1.00 0.00 N ATOM 0 H GLN A 12 -6.588 -7.567 -5.777 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.496 -5.553 -7.654 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.248 -7.387 -7.282 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.980 -6.319 -6.101 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.683 -4.562 -8.179 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.853 -6.054 -9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.767 -4.567 -9.683 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.278 -4.872 -8.819 1.00 0.00 H new ATOM 141 N ASP A 13 -7.828 -4.438 -4.846 1.00 0.00 N ATOM 142 CA ASP A 13 -8.042 -3.242 -4.050 1.00 0.00 C ATOM 143 C ASP A 13 -6.739 -2.443 -3.976 1.00 0.00 C ATOM 144 O ASP A 13 -6.698 -1.277 -4.365 1.00 0.00 O ATOM 145 CB ASP A 13 -8.460 -3.597 -2.622 1.00 0.00 C ATOM 146 CG ASP A 13 -9.559 -2.713 -2.031 1.00 0.00 C ATOM 147 OD1 ASP A 13 -10.002 -1.796 -2.756 1.00 0.00 O ATOM 148 OD2 ASP A 13 -9.933 -2.974 -0.867 1.00 0.00 O ATOM 0 H ASP A 13 -8.249 -5.285 -4.464 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.833 -2.660 -4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.800 -4.633 -2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.583 -3.539 -1.978 1.00 0.00 H new ATOM 153 N PHE A 14 -5.705 -3.103 -3.474 1.00 0.00 N ATOM 154 CA PHE A 14 -4.404 -2.470 -3.345 1.00 0.00 C ATOM 155 C PHE A 14 -3.965 -1.843 -4.669 1.00 0.00 C ATOM 156 O PHE A 14 -3.716 -0.640 -4.738 1.00 0.00 O ATOM 157 CB PHE A 14 -3.409 -3.567 -2.959 1.00 0.00 C ATOM 158 CG PHE A 14 -1.969 -3.074 -2.806 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.141 -3.047 -3.885 1.00 0.00 C ATOM 160 CD2 PHE A 14 -1.516 -2.663 -1.591 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.196 -2.590 -3.743 1.00 0.00 C ATOM 162 CE2 PHE A 14 -0.179 -2.206 -1.449 1.00 0.00 C ATOM 163 CZ PHE A 14 0.649 -2.179 -2.528 1.00 0.00 C ATOM 0 H PHE A 14 -5.742 -4.070 -3.152 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.448 -1.679 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.729 -4.020 -2.021 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.436 -4.350 -3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.501 -3.373 -4.850 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.173 -2.684 -0.734 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.853 -2.569 -4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.181 -1.880 -0.484 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.666 -1.831 -2.420 1.00 0.00 H new ATOM 173 N ALA A 15 -3.884 -2.685 -5.688 1.00 0.00 N ATOM 174 CA ALA A 15 -3.480 -2.228 -7.007 1.00 0.00 C ATOM 175 C ALA A 15 -4.173 -0.900 -7.317 1.00 0.00 C ATOM 176 O ALA A 15 -3.520 0.074 -7.688 1.00 0.00 O ATOM 177 CB ALA A 15 -3.800 -3.308 -8.042 1.00 0.00 C ATOM 0 H ALA A 15 -4.091 -3.682 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.405 -2.054 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.497 -2.965 -9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.260 -4.222 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.871 -3.508 -8.040 1.00 0.00 H new ATOM 183 N VAL A 16 -5.488 -0.903 -7.152 1.00 0.00 N ATOM 184 CA VAL A 16 -6.277 0.289 -7.410 1.00 0.00 C ATOM 185 C VAL A 16 -5.755 1.437 -6.543 1.00 0.00 C ATOM 186 O VAL A 16 -5.559 2.549 -7.032 1.00 0.00 O ATOM 187 CB VAL A 16 -7.761 -0.006 -7.182 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.541 1.283 -6.915 1.00 0.00 C ATOM 189 CG2 VAL A 16 -8.356 -0.772 -8.365 1.00 0.00 C ATOM 0 H VAL A 16 -6.026 -1.712 -6.843 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.177 0.596 -8.451 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.845 -0.638 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.593 1.045 -6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.142 1.773 -6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.445 1.950 -7.771 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.412 -0.969 -8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.254 -0.177 -9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.827 -1.717 -8.490 1.00 0.00 H new ATOM 199 N LEU A 17 -5.547 1.129 -5.272 1.00 0.00 N ATOM 200 CA LEU A 17 -5.052 2.121 -4.332 1.00 0.00 C ATOM 201 C LEU A 17 -3.744 2.711 -4.863 1.00 0.00 C ATOM 202 O LEU A 17 -3.702 3.871 -5.271 1.00 0.00 O ATOM 203 CB LEU A 17 -4.932 1.519 -2.931 1.00 0.00 C ATOM 204 CG LEU A 17 -6.192 1.578 -2.065 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.077 0.635 -0.866 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.497 3.015 -1.638 1.00 0.00 C ATOM 0 H LEU A 17 -5.712 0.206 -4.870 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.759 2.945 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.632 0.476 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.128 2.033 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.035 1.235 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.985 0.696 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.943 -0.388 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.220 0.924 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.397 3.029 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.659 3.409 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.652 3.632 -2.523 1.00 0.00 H new ATOM 218 N THR A 18 -2.707 1.887 -4.839 1.00 0.00 N ATOM 219 CA THR A 18 -1.401 2.312 -5.312 1.00 0.00 C ATOM 220 C THR A 18 -1.545 3.193 -6.554 1.00 0.00 C ATOM 221 O THR A 18 -1.087 4.335 -6.567 1.00 0.00 O ATOM 222 CB THR A 18 -0.553 1.061 -5.549 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.408 0.198 -6.294 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.276 0.288 -4.258 1.00 0.00 C ATOM 0 H THR A 18 -2.745 0.926 -4.499 1.00 0.00 H new ATOM 0 HA THR A 18 -0.894 2.930 -4.571 1.00 0.00 H new ATOM 0 HB THR A 18 0.392 1.346 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.892 -0.565 -6.629 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.329 -0.590 -4.483 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.260 0.929 -3.558 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.220 -0.026 -3.812 1.00 0.00 H new ATOM 232 N ALA A 19 -2.183 2.629 -7.570 1.00 0.00 N ATOM 233 CA ALA A 19 -2.393 3.349 -8.814 1.00 0.00 C ATOM 234 C ALA A 19 -2.937 4.745 -8.505 1.00 0.00 C ATOM 235 O ALA A 19 -2.247 5.743 -8.705 1.00 0.00 O ATOM 236 CB ALA A 19 -3.330 2.545 -9.717 1.00 0.00 C ATOM 0 H ALA A 19 -2.561 1.682 -7.556 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.452 3.473 -9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.488 3.085 -10.651 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.884 1.573 -9.931 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.287 2.403 -9.214 1.00 0.00 H new ATOM 242 N GLU A 20 -4.171 4.771 -8.023 1.00 0.00 N ATOM 243 CA GLU A 20 -4.816 6.028 -7.685 1.00 0.00 C ATOM 244 C GLU A 20 -3.852 6.927 -6.908 1.00 0.00 C ATOM 245 O GLU A 20 -3.675 8.095 -7.250 1.00 0.00 O ATOM 246 CB GLU A 20 -6.102 5.788 -6.891 1.00 0.00 C ATOM 247 CG GLU A 20 -7.114 6.909 -7.135 1.00 0.00 C ATOM 248 CD GLU A 20 -8.033 7.091 -5.925 1.00 0.00 C ATOM 249 OE1 GLU A 20 -7.488 7.153 -4.802 1.00 0.00 O ATOM 250 OE2 GLU A 20 -9.261 7.164 -6.151 1.00 0.00 O ATOM 0 H GLU A 20 -4.741 3.941 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.088 6.535 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.538 4.831 -7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.871 5.727 -5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.587 7.841 -7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.710 6.679 -8.018 1.00 0.00 H new ATOM 257 N ILE A 21 -3.254 6.349 -5.877 1.00 0.00 N ATOM 258 CA ILE A 21 -2.313 7.083 -5.049 1.00 0.00 C ATOM 259 C ILE A 21 -1.197 7.648 -5.931 1.00 0.00 C ATOM 260 O ILE A 21 -1.076 8.862 -6.083 1.00 0.00 O ATOM 261 CB ILE A 21 -1.806 6.203 -3.905 1.00 0.00 C ATOM 262 CG1 ILE A 21 -2.920 5.922 -2.895 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.574 6.822 -3.242 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.403 5.074 -1.731 1.00 0.00 C ATOM 0 H ILE A 21 -3.403 5.380 -5.596 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.805 7.931 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.499 5.244 -4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.318 6.863 -2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.742 5.405 -3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.234 6.177 -2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.221 6.928 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.831 7.803 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.215 4.889 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.028 4.124 -2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.597 5.605 -1.224 1.00 0.00 H new ATOM 276 N THR A 22 -0.411 6.739 -6.490 1.00 0.00 N ATOM 277 CA THR A 22 0.690 7.131 -7.353 1.00 0.00 C ATOM 278 C THR A 22 0.282 8.313 -8.235 1.00 0.00 C ATOM 279 O THR A 22 1.064 9.241 -8.437 1.00 0.00 O ATOM 280 CB THR A 22 1.128 5.901 -8.150 1.00 0.00 C ATOM 281 OG1 THR A 22 2.545 5.878 -8.003 1.00 0.00 O ATOM 282 CG2 THR A 22 0.912 6.071 -9.655 1.00 0.00 C ATOM 0 H THR A 22 -0.515 5.732 -6.362 1.00 0.00 H new ATOM 0 HA THR A 22 1.543 7.479 -6.771 1.00 0.00 H new ATOM 0 HB THR A 22 0.577 5.028 -7.801 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.912 5.110 -8.488 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.239 5.170 -10.174 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.146 6.240 -9.854 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.489 6.924 -10.011 1.00 0.00 H new ATOM 290 N SER A 23 -0.942 8.240 -8.737 1.00 0.00 N ATOM 291 CA SER A 23 -1.464 9.292 -9.593 1.00 0.00 C ATOM 292 C SER A 23 -1.632 10.584 -8.791 1.00 0.00 C ATOM 293 O SER A 23 -1.119 11.632 -9.181 1.00 0.00 O ATOM 294 CB SER A 23 -2.797 8.880 -10.221 1.00 0.00 C ATOM 295 OG SER A 23 -2.707 7.625 -10.890 1.00 0.00 O ATOM 0 H SER A 23 -1.587 7.469 -8.567 1.00 0.00 H new ATOM 0 HA SER A 23 -0.751 9.463 -10.399 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.561 8.823 -9.446 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.117 9.646 -10.928 1.00 0.00 H new ATOM 0 HG SER A 23 -2.549 6.915 -10.233 1.00 0.00 H new ATOM 301 N LYS A 24 -2.353 10.467 -7.685 1.00 0.00 N ATOM 302 CA LYS A 24 -2.595 11.613 -6.825 1.00 0.00 C ATOM 303 C LYS A 24 -1.255 12.195 -6.369 1.00 0.00 C ATOM 304 O LYS A 24 -1.105 13.412 -6.270 1.00 0.00 O ATOM 305 CB LYS A 24 -3.523 11.229 -5.671 1.00 0.00 C ATOM 306 CG LYS A 24 -4.973 11.117 -6.148 1.00 0.00 C ATOM 307 CD LYS A 24 -5.747 10.096 -5.311 1.00 0.00 C ATOM 308 CE LYS A 24 -7.256 10.293 -5.465 1.00 0.00 C ATOM 309 NZ LYS A 24 -7.906 10.378 -4.138 1.00 0.00 N ATOM 0 H LYS A 24 -2.777 9.596 -7.365 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.114 12.399 -7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.203 10.279 -5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.453 11.975 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.458 12.091 -6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.993 10.823 -7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.475 9.087 -5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.469 10.195 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.454 11.202 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.681 9.465 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.930 10.512 -4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.733 9.499 -3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.513 11.183 -3.610 1.00 0.00 H new ATOM 323 N ILE A 25 -0.316 11.298 -6.104 1.00 0.00 N ATOM 324 CA ILE A 25 1.006 11.708 -5.661 1.00 0.00 C ATOM 325 C ILE A 25 1.664 12.555 -6.751 1.00 0.00 C ATOM 326 O ILE A 25 2.475 13.433 -6.456 1.00 0.00 O ATOM 327 CB ILE A 25 1.833 10.490 -5.245 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.323 9.904 -3.927 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.322 10.834 -5.181 1.00 0.00 C ATOM 330 CD1 ILE A 25 2.013 8.575 -3.613 1.00 0.00 C ATOM 0 H ILE A 25 -0.444 10.290 -6.188 1.00 0.00 H new ATOM 0 HA ILE A 25 0.933 12.334 -4.771 1.00 0.00 H new ATOM 0 HB ILE A 25 1.713 9.720 -6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.503 10.611 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.245 9.753 -3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.887 9.951 -4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.661 11.168 -6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.481 11.629 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.632 8.181 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.811 7.862 -4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.088 8.734 -3.531 1.00 0.00 H new ATOM 342 N ALA A 26 1.292 12.263 -7.989 1.00 0.00 N ATOM 343 CA ALA A 26 1.836 12.988 -9.125 1.00 0.00 C ATOM 344 C ALA A 26 1.039 14.277 -9.332 1.00 0.00 C ATOM 345 O ALA A 26 1.484 15.179 -10.040 1.00 0.00 O ATOM 346 CB ALA A 26 1.819 12.087 -10.361 1.00 0.00 C ATOM 0 H ALA A 26 0.620 11.534 -8.230 1.00 0.00 H new ATOM 0 HA ALA A 26 2.873 13.268 -8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.227 12.631 -11.213 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.424 11.200 -10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.794 11.787 -10.579 1.00 0.00 H new ATOM 352 N ARG A 27 -0.125 14.323 -8.701 1.00 0.00 N ATOM 353 CA ARG A 27 -0.989 15.486 -8.807 1.00 0.00 C ATOM 354 C ARG A 27 -0.744 16.438 -7.634 1.00 0.00 C ATOM 355 O ARG A 27 -1.085 17.618 -7.705 1.00 0.00 O ATOM 356 CB ARG A 27 -2.463 15.079 -8.825 1.00 0.00 C ATOM 357 CG ARG A 27 -2.924 14.748 -10.246 1.00 0.00 C ATOM 358 CD ARG A 27 -4.255 15.431 -10.563 1.00 0.00 C ATOM 359 NE ARG A 27 -5.103 14.534 -11.380 1.00 0.00 N ATOM 360 CZ ARG A 27 -5.657 13.403 -10.923 1.00 0.00 C ATOM 361 NH1 ARG A 27 -5.457 13.024 -9.654 1.00 0.00 N ATOM 362 NH2 ARG A 27 -6.411 12.650 -11.736 1.00 0.00 N ATOM 0 H ARG A 27 -0.490 13.573 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.752 15.990 -9.744 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.613 14.213 -8.180 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.072 15.887 -8.420 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.167 15.069 -10.962 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.030 13.669 -10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.770 15.689 -9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.076 16.363 -11.099 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.276 14.793 -12.351 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.883 13.597 -9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.879 12.163 -9.306 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.563 12.938 -12.703 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.833 11.789 -11.388 1.00 0.00 H new ATOM 376 N VAL A 28 -0.154 15.890 -6.582 1.00 0.00 N ATOM 377 CA VAL A 28 0.141 16.675 -5.396 1.00 0.00 C ATOM 378 C VAL A 28 0.946 17.913 -5.796 1.00 0.00 C ATOM 379 O VAL A 28 0.592 19.033 -5.430 1.00 0.00 O ATOM 380 CB VAL A 28 0.855 15.807 -4.358 1.00 0.00 C ATOM 381 CG1 VAL A 28 2.020 16.565 -3.717 1.00 0.00 C ATOM 382 CG2 VAL A 28 -0.124 15.306 -3.294 1.00 0.00 C ATOM 0 H VAL A 28 0.128 14.911 -6.526 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.781 17.023 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 28 1.263 14.938 -4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.510 15.925 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.737 16.849 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.644 17.461 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.410 14.692 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.576 16.158 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.904 14.711 -3.769 1.00 0.00 H new ATOM 392 N PRO A 29 2.042 17.663 -6.561 1.00 0.00 N ATOM 393 CA PRO A 29 2.900 18.744 -7.015 1.00 0.00 C ATOM 394 C PRO A 29 2.241 19.527 -8.152 1.00 0.00 C ATOM 395 O PRO A 29 2.823 20.475 -8.677 1.00 0.00 O ATOM 396 CB PRO A 29 4.196 18.069 -7.431 1.00 0.00 C ATOM 397 CG PRO A 29 3.856 16.602 -7.634 1.00 0.00 C ATOM 398 CD PRO A 29 2.491 16.350 -7.013 1.00 0.00 C ATOM 0 HA PRO A 29 3.085 19.488 -6.240 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.589 18.509 -8.348 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.962 18.190 -6.665 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.844 16.356 -8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.610 15.967 -7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.799 15.923 -7.738 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.557 15.647 -6.183 1.00 0.00 H new ATOM 406 N ARG A 30 1.035 19.101 -8.500 1.00 0.00 N ATOM 407 CA ARG A 30 0.291 19.750 -9.566 1.00 0.00 C ATOM 408 C ARG A 30 -1.063 20.237 -9.047 1.00 0.00 C ATOM 409 O ARG A 30 -1.895 20.710 -9.820 1.00 0.00 O ATOM 410 CB ARG A 30 0.066 18.796 -10.741 1.00 0.00 C ATOM 411 CG ARG A 30 1.377 18.517 -11.479 1.00 0.00 C ATOM 412 CD ARG A 30 1.199 17.399 -12.508 1.00 0.00 C ATOM 413 NE ARG A 30 0.451 17.905 -13.681 1.00 0.00 N ATOM 414 CZ ARG A 30 -0.159 17.120 -14.579 1.00 0.00 C ATOM 415 NH1 ARG A 30 -0.113 15.788 -14.444 1.00 0.00 N ATOM 416 NH2 ARG A 30 -0.814 17.667 -15.612 1.00 0.00 N ATOM 0 H ARG A 30 0.555 18.314 -8.062 1.00 0.00 H new ATOM 0 HA ARG A 30 0.879 20.600 -9.911 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.358 17.860 -10.378 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.659 19.228 -11.431 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.718 19.424 -11.978 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.149 18.237 -10.763 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.173 17.024 -12.822 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.665 16.562 -12.059 1.00 0.00 H new ATOM 0 HE ARG A 30 0.397 18.915 -13.814 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.386 15.372 -13.658 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.577 15.190 -15.127 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.848 18.681 -15.715 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.278 17.069 -16.296 1.00 0.00 H new ATOM 430 N LEU A 31 -1.243 20.105 -7.741 1.00 0.00 N ATOM 431 CA LEU A 31 -2.482 20.526 -7.110 1.00 0.00 C ATOM 432 C LEU A 31 -2.228 21.793 -6.291 1.00 0.00 C ATOM 433 O LEU A 31 -1.097 22.059 -5.887 1.00 0.00 O ATOM 434 CB LEU A 31 -3.086 19.379 -6.297 1.00 0.00 C ATOM 435 CG LEU A 31 -3.828 18.307 -7.097 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.005 17.031 -6.272 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.163 18.841 -7.621 1.00 0.00 C ATOM 0 H LEU A 31 -0.551 19.712 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.227 20.778 -7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.285 18.896 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.776 19.802 -5.567 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.222 18.047 -7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.535 16.285 -6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.027 16.642 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.579 17.256 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.671 18.060 -8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.788 19.146 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.983 19.699 -8.269 1.00 0.00 H new ATOM 449 N PRO A 32 -3.327 22.561 -6.063 1.00 0.00 N ATOM 450 CA PRO A 32 -3.234 23.793 -5.299 1.00 0.00 C ATOM 451 C PRO A 32 -3.085 23.502 -3.805 1.00 0.00 C ATOM 452 O PRO A 32 -3.198 22.354 -3.378 1.00 0.00 O ATOM 453 CB PRO A 32 -4.505 24.559 -5.632 1.00 0.00 C ATOM 454 CG PRO A 32 -5.473 23.533 -6.199 1.00 0.00 C ATOM 455 CD PRO A 32 -4.683 22.276 -6.525 1.00 0.00 C ATOM 0 HA PRO A 32 -2.352 24.381 -5.554 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.918 25.036 -4.743 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.306 25.350 -6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.261 23.313 -5.478 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.959 23.921 -7.094 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.099 21.405 -6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.701 22.063 -7.594 1.00 0.00 H new ATOM 463 N PRO A 33 -2.828 24.590 -3.030 1.00 0.00 N ATOM 464 CA PRO A 33 -2.662 24.463 -1.592 1.00 0.00 C ATOM 465 C PRO A 33 -4.011 24.248 -0.902 1.00 0.00 C ATOM 466 O PRO A 33 -4.077 24.146 0.322 1.00 0.00 O ATOM 467 CB PRO A 33 -1.972 25.747 -1.161 1.00 0.00 C ATOM 468 CG PRO A 33 -2.195 26.740 -2.290 1.00 0.00 C ATOM 469 CD PRO A 33 -2.688 25.965 -3.501 1.00 0.00 C ATOM 0 HA PRO A 33 -2.067 23.594 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.389 26.119 -0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.908 25.581 -0.992 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.925 27.494 -1.996 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.270 27.266 -2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.638 26.358 -3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.981 26.030 -4.328 1.00 0.00 H new ATOM 477 N ASP A 34 -5.053 24.185 -1.718 1.00 0.00 N ATOM 478 CA ASP A 34 -6.396 23.984 -1.201 1.00 0.00 C ATOM 479 C ASP A 34 -6.737 22.493 -1.246 1.00 0.00 C ATOM 480 O ASP A 34 -7.257 21.942 -0.276 1.00 0.00 O ATOM 481 CB ASP A 34 -7.430 24.730 -2.047 1.00 0.00 C ATOM 482 CG ASP A 34 -8.058 25.951 -1.371 1.00 0.00 C ATOM 483 OD1 ASP A 34 -8.444 25.810 -0.191 1.00 0.00 O ATOM 484 OD2 ASP A 34 -8.138 26.997 -2.051 1.00 0.00 O ATOM 0 H ASP A 34 -4.994 24.270 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.424 24.364 -0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.956 25.051 -2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.225 24.035 -2.319 1.00 0.00 H new ATOM 489 N GLU A 35 -6.431 21.882 -2.381 1.00 0.00 N ATOM 490 CA GLU A 35 -6.698 20.466 -2.564 1.00 0.00 C ATOM 491 C GLU A 35 -5.490 19.636 -2.127 1.00 0.00 C ATOM 492 O GLU A 35 -5.644 18.521 -1.631 1.00 0.00 O ATOM 493 CB GLU A 35 -7.075 20.163 -4.016 1.00 0.00 C ATOM 494 CG GLU A 35 -8.494 20.643 -4.326 1.00 0.00 C ATOM 495 CD GLU A 35 -9.526 19.567 -3.979 1.00 0.00 C ATOM 496 OE1 GLU A 35 -9.661 18.628 -4.792 1.00 0.00 O ATOM 497 OE2 GLU A 35 -10.155 19.709 -2.908 1.00 0.00 O ATOM 0 H GLU A 35 -6.001 22.342 -3.183 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.547 20.193 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.368 20.649 -4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.002 19.091 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.706 21.551 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.572 20.899 -5.383 1.00 0.00 H new ATOM 504 N LYS A 36 -4.313 20.212 -2.326 1.00 0.00 N ATOM 505 CA LYS A 36 -3.079 19.540 -1.959 1.00 0.00 C ATOM 506 C LYS A 36 -3.130 19.164 -0.477 1.00 0.00 C ATOM 507 O LYS A 36 -3.010 17.991 -0.126 1.00 0.00 O ATOM 508 CB LYS A 36 -1.869 20.399 -2.334 1.00 0.00 C ATOM 509 CG LYS A 36 -0.562 19.700 -1.955 1.00 0.00 C ATOM 510 CD LYS A 36 0.648 20.478 -2.477 1.00 0.00 C ATOM 511 CE LYS A 36 1.932 20.027 -1.779 1.00 0.00 C ATOM 512 NZ LYS A 36 2.858 21.169 -1.608 1.00 0.00 N ATOM 0 H LYS A 36 -4.189 21.137 -2.737 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.969 18.612 -2.521 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.880 20.601 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.931 21.362 -1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.497 19.605 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.554 18.690 -2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.743 20.330 -3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.497 21.545 -2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.692 19.597 -0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.415 19.244 -2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.470 20.999 -0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.445 21.271 -2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.311 22.041 -1.459 1.00 0.00 H new ATOM 526 N LYS A 37 -3.307 20.181 0.353 1.00 0.00 N ATOM 527 CA LYS A 37 -3.375 19.972 1.790 1.00 0.00 C ATOM 528 C LYS A 37 -4.166 18.694 2.077 1.00 0.00 C ATOM 529 O LYS A 37 -3.684 17.806 2.778 1.00 0.00 O ATOM 530 CB LYS A 37 -3.937 21.213 2.486 1.00 0.00 C ATOM 531 CG LYS A 37 -3.040 21.642 3.649 1.00 0.00 C ATOM 532 CD LYS A 37 -2.785 23.150 3.617 1.00 0.00 C ATOM 533 CE LYS A 37 -1.286 23.451 3.538 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.981 24.742 4.193 1.00 0.00 N ATOM 0 H LYS A 37 -3.405 21.153 0.058 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.376 19.829 2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.024 22.029 1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.941 21.004 2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.509 21.369 4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.091 21.108 3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.294 23.590 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.206 23.613 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.723 22.651 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.970 23.482 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.040 24.931 4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.504 25.505 3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.264 24.700 5.193 1.00 0.00 H new ATOM 548 N GLN A 38 -5.368 18.643 1.522 1.00 0.00 N ATOM 549 CA GLN A 38 -6.231 17.489 1.711 1.00 0.00 C ATOM 550 C GLN A 38 -5.638 16.263 1.012 1.00 0.00 C ATOM 551 O GLN A 38 -5.592 15.178 1.589 1.00 0.00 O ATOM 552 CB GLN A 38 -7.647 17.775 1.207 1.00 0.00 C ATOM 553 CG GLN A 38 -8.199 19.061 1.826 1.00 0.00 C ATOM 554 CD GLN A 38 -8.748 18.803 3.230 1.00 0.00 C ATOM 555 OE1 GLN A 38 -9.746 18.128 3.420 1.00 0.00 O ATOM 556 NE2 GLN A 38 -8.042 19.376 4.201 1.00 0.00 N ATOM 0 H GLN A 38 -5.765 19.382 0.941 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.296 17.279 2.779 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.639 17.864 0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.301 16.938 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.412 19.813 1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.988 19.464 1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.216 19.929 3.973 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.327 19.263 5.174 1.00 0.00 H new ATOM 565 N MET A 39 -5.199 16.478 -0.220 1.00 0.00 N ATOM 566 CA MET A 39 -4.612 15.405 -1.003 1.00 0.00 C ATOM 567 C MET A 39 -3.460 14.741 -0.245 1.00 0.00 C ATOM 568 O MET A 39 -3.458 13.526 -0.052 1.00 0.00 O ATOM 569 CB MET A 39 -4.095 15.965 -2.329 1.00 0.00 C ATOM 570 CG MET A 39 -3.577 14.844 -3.233 1.00 0.00 C ATOM 571 SD MET A 39 -4.870 13.647 -3.523 1.00 0.00 S ATOM 572 CE MET A 39 -5.534 14.274 -5.056 1.00 0.00 C ATOM 0 H MET A 39 -5.238 17.380 -0.695 1.00 0.00 H new ATOM 0 HA MET A 39 -5.380 14.654 -1.190 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.894 16.506 -2.836 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.296 16.682 -2.138 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.235 15.259 -4.181 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.718 14.359 -2.769 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.412 13.693 -5.337 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.815 15.319 -4.930 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.780 14.193 -5.839 1.00 0.00 H new ATOM 582 N VAL A 40 -2.508 15.567 0.163 1.00 0.00 N ATOM 583 CA VAL A 40 -1.353 15.075 0.895 1.00 0.00 C ATOM 584 C VAL A 40 -1.827 14.217 2.070 1.00 0.00 C ATOM 585 O VAL A 40 -1.082 13.376 2.569 1.00 0.00 O ATOM 586 CB VAL A 40 -0.471 16.247 1.329 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.600 15.789 2.321 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.162 16.935 0.117 1.00 0.00 C ATOM 0 H VAL A 40 -2.513 16.574 0.001 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.738 14.441 0.257 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.106 16.975 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.213 16.641 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.121 15.366 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.230 15.032 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.784 17.765 0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.776 16.219 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.623 17.312 -0.538 1.00 0.00 H new ATOM 598 N ALA A 41 -3.065 14.460 2.477 1.00 0.00 N ATOM 599 CA ALA A 41 -3.647 13.719 3.584 1.00 0.00 C ATOM 600 C ALA A 41 -4.417 12.516 3.037 1.00 0.00 C ATOM 601 O ALA A 41 -4.421 11.448 3.648 1.00 0.00 O ATOM 602 CB ALA A 41 -4.533 14.652 4.412 1.00 0.00 C ATOM 0 H ALA A 41 -3.680 15.159 2.061 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.868 13.339 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.970 14.097 5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.932 15.474 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.329 15.051 3.783 1.00 0.00 H new ATOM 608 N ASN A 42 -5.050 12.729 1.893 1.00 0.00 N ATOM 609 CA ASN A 42 -5.823 11.675 1.258 1.00 0.00 C ATOM 610 C ASN A 42 -4.901 10.496 0.937 1.00 0.00 C ATOM 611 O ASN A 42 -5.287 9.339 1.102 1.00 0.00 O ATOM 612 CB ASN A 42 -6.443 12.160 -0.054 1.00 0.00 C ATOM 613 CG ASN A 42 -7.581 11.239 -0.497 1.00 0.00 C ATOM 614 OD1 ASN A 42 -7.379 10.092 -0.861 1.00 0.00 O ATOM 615 ND2 ASN A 42 -8.784 11.802 -0.445 1.00 0.00 N ATOM 0 H ASN A 42 -5.044 13.616 1.389 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.617 11.379 1.944 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.820 13.175 0.071 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.678 12.198 -0.830 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.609 11.269 -0.720 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.882 12.767 -0.130 1.00 0.00 H new ATOM 622 N VAL A 43 -3.701 10.830 0.485 1.00 0.00 N ATOM 623 CA VAL A 43 -2.722 9.814 0.140 1.00 0.00 C ATOM 624 C VAL A 43 -2.266 9.098 1.413 1.00 0.00 C ATOM 625 O VAL A 43 -2.024 7.892 1.399 1.00 0.00 O ATOM 626 CB VAL A 43 -1.565 10.444 -0.638 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.384 9.478 -0.742 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.023 10.902 -2.024 1.00 0.00 C ATOM 0 H VAL A 43 -3.385 11.790 0.350 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.166 9.064 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.230 11.323 -0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.425 9.951 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.034 9.222 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.700 8.572 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.182 11.346 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.396 10.045 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.817 11.641 -1.919 1.00 0.00 H new ATOM 638 N GLU A 44 -2.162 9.872 2.484 1.00 0.00 N ATOM 639 CA GLU A 44 -1.739 9.327 3.763 1.00 0.00 C ATOM 640 C GLU A 44 -2.659 8.178 4.181 1.00 0.00 C ATOM 641 O GLU A 44 -2.213 7.216 4.804 1.00 0.00 O ATOM 642 CB GLU A 44 -1.699 10.416 4.836 1.00 0.00 C ATOM 643 CG GLU A 44 -0.478 11.321 4.655 1.00 0.00 C ATOM 644 CD GLU A 44 0.393 11.326 5.913 1.00 0.00 C ATOM 645 OE1 GLU A 44 0.538 10.236 6.507 1.00 0.00 O ATOM 646 OE2 GLU A 44 0.895 12.419 6.251 1.00 0.00 O ATOM 0 H GLU A 44 -2.363 10.872 2.492 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.728 8.935 3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.609 11.014 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.672 9.957 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.110 10.979 3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.804 12.337 4.430 1.00 0.00 H new ATOM 653 N LYS A 45 -3.927 8.317 3.821 1.00 0.00 N ATOM 654 CA LYS A 45 -4.914 7.303 4.151 1.00 0.00 C ATOM 655 C LYS A 45 -4.769 6.124 3.187 1.00 0.00 C ATOM 656 O LYS A 45 -4.560 4.990 3.615 1.00 0.00 O ATOM 657 CB LYS A 45 -6.318 7.910 4.175 1.00 0.00 C ATOM 658 CG LYS A 45 -6.990 7.685 5.531 1.00 0.00 C ATOM 659 CD LYS A 45 -6.393 8.606 6.597 1.00 0.00 C ATOM 660 CE LYS A 45 -7.455 9.025 7.616 1.00 0.00 C ATOM 661 NZ LYS A 45 -6.828 9.719 8.763 1.00 0.00 N ATOM 0 H LYS A 45 -4.293 9.116 3.304 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.742 6.916 5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.260 8.978 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.924 7.464 3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.061 7.868 5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.868 6.645 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.576 8.096 7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.970 9.491 6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.184 9.681 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.997 8.147 7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.563 9.996 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.149 9.081 9.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.331 10.568 8.426 1.00 0.00 H new ATOM 675 N GLN A 46 -4.887 6.433 1.904 1.00 0.00 N ATOM 676 CA GLN A 46 -4.772 5.412 0.875 1.00 0.00 C ATOM 677 C GLN A 46 -3.465 4.634 1.044 1.00 0.00 C ATOM 678 O GLN A 46 -3.387 3.461 0.682 1.00 0.00 O ATOM 679 CB GLN A 46 -4.866 6.029 -0.521 1.00 0.00 C ATOM 680 CG GLN A 46 -6.208 6.737 -0.719 1.00 0.00 C ATOM 681 CD GLN A 46 -7.286 5.752 -1.174 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.549 5.581 -2.353 1.00 0.00 O ATOM 683 NE2 GLN A 46 -7.894 5.115 -0.177 1.00 0.00 N ATOM 0 H GLN A 46 -5.061 7.375 1.553 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.603 4.716 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.052 6.739 -0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.747 5.251 -1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.514 7.211 0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.099 7.530 -1.459 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.626 5.305 0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.629 4.437 -0.378 1.00 0.00 H new ATOM 692 N LEU A 47 -2.473 5.318 1.593 1.00 0.00 N ATOM 693 CA LEU A 47 -1.174 4.705 1.814 1.00 0.00 C ATOM 694 C LEU A 47 -1.271 3.720 2.981 1.00 0.00 C ATOM 695 O LEU A 47 -0.986 2.534 2.822 1.00 0.00 O ATOM 696 CB LEU A 47 -0.100 5.778 2.003 1.00 0.00 C ATOM 697 CG LEU A 47 0.528 6.331 0.722 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.445 7.517 1.028 1.00 0.00 C ATOM 699 CD2 LEU A 47 1.255 5.230 -0.052 1.00 0.00 C ATOM 0 H LEU A 47 -2.542 6.291 1.892 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.869 4.133 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.538 6.608 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.694 5.364 2.624 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.273 6.700 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.878 7.891 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.868 8.310 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.243 7.197 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.692 5.650 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.045 4.808 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.547 4.446 -0.321 1.00 0.00 H new ATOM 711 N GLU A 48 -1.674 4.249 4.127 1.00 0.00 N ATOM 712 CA GLU A 48 -1.813 3.431 5.320 1.00 0.00 C ATOM 713 C GLU A 48 -2.852 2.332 5.093 1.00 0.00 C ATOM 714 O GLU A 48 -2.702 1.218 5.592 1.00 0.00 O ATOM 715 CB GLU A 48 -2.178 4.289 6.533 1.00 0.00 C ATOM 716 CG GLU A 48 -3.679 4.581 6.566 1.00 0.00 C ATOM 717 CD GLU A 48 -4.069 5.306 7.856 1.00 0.00 C ATOM 718 OE1 GLU A 48 -4.284 4.596 8.862 1.00 0.00 O ATOM 719 OE2 GLU A 48 -4.142 6.552 7.806 1.00 0.00 O ATOM 0 H GLU A 48 -1.909 5.233 4.255 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.853 2.958 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.884 3.775 7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.622 5.226 6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.953 5.190 5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.236 3.648 6.487 1.00 0.00 H new ATOM 726 N GLU A 49 -3.883 2.683 4.339 1.00 0.00 N ATOM 727 CA GLU A 49 -4.948 1.741 4.039 1.00 0.00 C ATOM 728 C GLU A 49 -4.403 0.568 3.222 1.00 0.00 C ATOM 729 O GLU A 49 -4.917 -0.546 3.309 1.00 0.00 O ATOM 730 CB GLU A 49 -6.101 2.430 3.308 1.00 0.00 C ATOM 731 CG GLU A 49 -6.772 3.474 4.203 1.00 0.00 C ATOM 732 CD GLU A 49 -8.233 3.108 4.473 1.00 0.00 C ATOM 733 OE1 GLU A 49 -8.457 1.962 4.920 1.00 0.00 O ATOM 734 OE2 GLU A 49 -9.092 3.982 4.227 1.00 0.00 O ATOM 0 H GLU A 49 -4.004 3.608 3.926 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.339 1.353 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.728 2.908 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.835 1.687 2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.232 3.550 5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.721 4.453 3.727 1.00 0.00 H new ATOM 741 N ALA A 50 -3.369 0.858 2.446 1.00 0.00 N ATOM 742 CA ALA A 50 -2.749 -0.158 1.613 1.00 0.00 C ATOM 743 C ALA A 50 -1.677 -0.891 2.423 1.00 0.00 C ATOM 744 O ALA A 50 -1.373 -2.051 2.150 1.00 0.00 O ATOM 745 CB ALA A 50 -2.182 0.492 0.350 1.00 0.00 C ATOM 0 H ALA A 50 -2.945 1.783 2.377 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.486 -0.896 1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.717 -0.271 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.988 0.973 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.437 1.237 0.628 1.00 0.00 H new ATOM 751 N ARG A 51 -1.135 -0.183 3.403 1.00 0.00 N ATOM 752 CA ARG A 51 -0.103 -0.751 4.254 1.00 0.00 C ATOM 753 C ARG A 51 -0.606 -2.040 4.909 1.00 0.00 C ATOM 754 O ARG A 51 0.143 -3.007 5.038 1.00 0.00 O ATOM 755 CB ARG A 51 0.317 0.237 5.344 1.00 0.00 C ATOM 756 CG ARG A 51 1.320 1.257 4.802 1.00 0.00 C ATOM 757 CD ARG A 51 2.511 1.412 5.750 1.00 0.00 C ATOM 758 NE ARG A 51 3.651 0.603 5.266 1.00 0.00 N ATOM 759 CZ ARG A 51 4.728 0.303 6.005 1.00 0.00 C ATOM 760 NH1 ARG A 51 4.817 0.744 7.267 1.00 0.00 N ATOM 761 NH2 ARG A 51 5.715 -0.438 5.483 1.00 0.00 N ATOM 0 H ARG A 51 -1.391 0.779 3.627 1.00 0.00 H new ATOM 0 HA ARG A 51 0.761 -0.971 3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.562 0.755 5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.759 -0.305 6.180 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.671 0.940 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.828 2.221 4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.800 2.461 5.815 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.230 1.096 6.755 1.00 0.00 H new ATOM 0 HE ARG A 51 3.615 0.251 4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.065 1.308 7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.636 0.516 7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.647 -0.774 4.522 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.534 -0.666 6.046 1.00 0.00 H new ATOM 775 N GLU A 52 -1.870 -2.010 5.305 1.00 0.00 N ATOM 776 CA GLU A 52 -2.481 -3.163 5.944 1.00 0.00 C ATOM 777 C GLU A 52 -2.635 -4.306 4.938 1.00 0.00 C ATOM 778 O GLU A 52 -2.566 -5.477 5.309 1.00 0.00 O ATOM 779 CB GLU A 52 -3.829 -2.795 6.567 1.00 0.00 C ATOM 780 CG GLU A 52 -4.897 -2.604 5.488 1.00 0.00 C ATOM 781 CD GLU A 52 -5.855 -3.796 5.448 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.611 -3.951 6.431 1.00 0.00 O ATOM 783 OE2 GLU A 52 -5.810 -4.526 4.434 1.00 0.00 O ATOM 0 H GLU A 52 -2.488 -1.206 5.196 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.826 -3.498 6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.141 -3.579 7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.727 -1.879 7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.457 -1.689 5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.419 -2.484 4.516 1.00 0.00 H new ATOM 790 N LEU A 53 -2.841 -3.927 3.686 1.00 0.00 N ATOM 791 CA LEU A 53 -3.006 -4.905 2.625 1.00 0.00 C ATOM 792 C LEU A 53 -1.747 -5.770 2.535 1.00 0.00 C ATOM 793 O LEU A 53 -1.808 -6.984 2.728 1.00 0.00 O ATOM 794 CB LEU A 53 -3.372 -4.214 1.310 1.00 0.00 C ATOM 795 CG LEU A 53 -4.841 -4.305 0.891 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.270 -3.054 0.122 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.105 -5.585 0.096 1.00 0.00 C ATOM 0 H LEU A 53 -2.897 -2.955 3.382 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.838 -5.573 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.102 -3.161 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.761 -4.642 0.515 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.452 -4.354 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.318 -3.144 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.141 -2.176 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.657 -2.949 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.156 -5.626 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.485 -5.591 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.863 -6.452 0.711 1.00 0.00 H new ATOM 809 N LEU A 54 -0.635 -5.112 2.240 1.00 0.00 N ATOM 810 CA LEU A 54 0.636 -5.806 2.122 1.00 0.00 C ATOM 811 C LEU A 54 0.796 -6.771 3.298 1.00 0.00 C ATOM 812 O LEU A 54 1.358 -7.855 3.144 1.00 0.00 O ATOM 813 CB LEU A 54 1.783 -4.803 1.988 1.00 0.00 C ATOM 814 CG LEU A 54 1.815 -3.989 0.693 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.254 -3.691 0.268 1.00 0.00 C ATOM 816 CD2 LEU A 54 1.023 -4.688 -0.413 1.00 0.00 C ATOM 0 H LEU A 54 -0.588 -4.106 2.079 1.00 0.00 H new ATOM 0 HA LEU A 54 0.660 -6.406 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.733 -4.110 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.725 -5.344 2.077 1.00 0.00 H new ATOM 0 HG LEU A 54 1.330 -3.031 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.248 -3.111 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.754 -3.121 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.787 -4.628 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.062 -4.089 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.456 -5.669 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.014 -4.805 -0.099 1.00 0.00 H new ATOM 828 N GLU A 55 0.294 -6.343 4.447 1.00 0.00 N ATOM 829 CA GLU A 55 0.374 -7.156 5.648 1.00 0.00 C ATOM 830 C GLU A 55 -0.530 -8.383 5.521 1.00 0.00 C ATOM 831 O GLU A 55 -0.050 -9.516 5.535 1.00 0.00 O ATOM 832 CB GLU A 55 0.015 -6.336 6.890 1.00 0.00 C ATOM 833 CG GLU A 55 1.149 -5.380 7.263 1.00 0.00 C ATOM 834 CD GLU A 55 0.624 -4.201 8.085 1.00 0.00 C ATOM 835 OE1 GLU A 55 -0.271 -4.447 8.922 1.00 0.00 O ATOM 836 OE2 GLU A 55 1.129 -3.081 7.857 1.00 0.00 O ATOM 0 H GLU A 55 -0.170 -5.443 4.571 1.00 0.00 H new ATOM 0 HA GLU A 55 1.402 -7.498 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.897 -5.769 6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.190 -7.006 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.908 -5.916 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.631 -5.011 6.358 1.00 0.00 H new ATOM 843 N GLN A 56 -1.822 -8.117 5.399 1.00 0.00 N ATOM 844 CA GLN A 56 -2.797 -9.186 5.269 1.00 0.00 C ATOM 845 C GLN A 56 -2.407 -10.124 4.125 1.00 0.00 C ATOM 846 O GLN A 56 -2.470 -11.344 4.270 1.00 0.00 O ATOM 847 CB GLN A 56 -4.204 -8.622 5.060 1.00 0.00 C ATOM 848 CG GLN A 56 -4.621 -7.738 6.237 1.00 0.00 C ATOM 849 CD GLN A 56 -5.302 -8.565 7.329 1.00 0.00 C ATOM 850 OE1 GLN A 56 -6.489 -8.842 7.284 1.00 0.00 O ATOM 851 NE2 GLN A 56 -4.487 -8.941 8.310 1.00 0.00 N ATOM 0 H GLN A 56 -2.216 -7.176 5.387 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.805 -9.759 6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.234 -8.043 4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.915 -9.441 4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.745 -7.237 6.648 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.300 -6.959 5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.503 -8.675 8.286 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.846 -9.496 9.087 1.00 0.00 H new ATOM 860 N MET A 57 -2.014 -9.519 3.014 1.00 0.00 N ATOM 861 CA MET A 57 -1.613 -10.285 1.846 1.00 0.00 C ATOM 862 C MET A 57 -0.484 -11.259 2.190 1.00 0.00 C ATOM 863 O MET A 57 -0.546 -12.436 1.840 1.00 0.00 O ATOM 864 CB MET A 57 -1.148 -9.332 0.744 1.00 0.00 C ATOM 865 CG MET A 57 -2.342 -8.720 0.008 1.00 0.00 C ATOM 866 SD MET A 57 -1.857 -8.227 -1.637 1.00 0.00 S ATOM 867 CE MET A 57 -1.332 -6.551 -1.316 1.00 0.00 C ATOM 0 H MET A 57 -1.965 -8.507 2.898 1.00 0.00 H new ATOM 0 HA MET A 57 -2.472 -10.861 1.501 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.538 -8.539 1.177 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.517 -9.869 0.036 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.156 -9.443 -0.045 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.717 -7.858 0.559 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.548 -6.274 -2.021 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.180 -5.876 -1.432 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.947 -6.479 -0.299 1.00 0.00 H new ATOM 877 N ASP A 58 0.522 -10.731 2.871 1.00 0.00 N ATOM 878 CA ASP A 58 1.664 -11.538 3.266 1.00 0.00 C ATOM 879 C ASP A 58 1.241 -12.505 4.374 1.00 0.00 C ATOM 880 O ASP A 58 1.612 -13.678 4.354 1.00 0.00 O ATOM 881 CB ASP A 58 2.795 -10.664 3.810 1.00 0.00 C ATOM 882 CG ASP A 58 4.186 -11.300 3.760 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.473 -11.956 2.736 1.00 0.00 O ATOM 884 OD2 ASP A 58 4.929 -11.117 4.748 1.00 0.00 O ATOM 0 H ASP A 58 0.570 -9.754 3.159 1.00 0.00 H new ATOM 0 HA ASP A 58 2.016 -12.077 2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.818 -9.732 3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.568 -10.404 4.844 1.00 0.00 H new ATOM 889 N LEU A 59 0.470 -11.978 5.313 1.00 0.00 N ATOM 890 CA LEU A 59 -0.008 -12.780 6.427 1.00 0.00 C ATOM 891 C LEU A 59 -0.915 -13.892 5.896 1.00 0.00 C ATOM 892 O LEU A 59 -1.253 -14.823 6.626 1.00 0.00 O ATOM 893 CB LEU A 59 -0.675 -11.892 7.479 1.00 0.00 C ATOM 894 CG LEU A 59 0.262 -11.242 8.499 1.00 0.00 C ATOM 895 CD1 LEU A 59 0.898 -12.294 9.409 1.00 0.00 C ATOM 896 CD2 LEU A 59 1.314 -10.376 7.803 1.00 0.00 C ATOM 0 H LEU A 59 0.164 -11.005 5.326 1.00 0.00 H new ATOM 0 HA LEU A 59 0.827 -13.264 6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.224 -11.103 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.409 -12.491 8.019 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.330 -10.583 9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.559 -11.805 10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.116 -12.831 9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.473 -12.997 8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.967 -9.926 8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.907 -10.995 7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.819 -9.590 7.233 1.00 0.00 H new ATOM 908 N GLU A 60 -1.284 -13.758 4.631 1.00 0.00 N ATOM 909 CA GLU A 60 -2.145 -14.740 3.994 1.00 0.00 C ATOM 910 C GLU A 60 -1.321 -15.668 3.099 1.00 0.00 C ATOM 911 O GLU A 60 -1.540 -16.879 3.086 1.00 0.00 O ATOM 912 CB GLU A 60 -3.260 -14.058 3.199 1.00 0.00 C ATOM 913 CG GLU A 60 -4.310 -13.454 4.133 1.00 0.00 C ATOM 914 CD GLU A 60 -5.593 -14.288 4.128 1.00 0.00 C ATOM 915 OE1 GLU A 60 -5.983 -14.723 3.023 1.00 0.00 O ATOM 916 OE2 GLU A 60 -6.154 -14.472 5.230 1.00 0.00 O ATOM 0 H GLU A 60 -1.002 -12.984 4.029 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.615 -15.342 4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.836 -13.276 2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.732 -14.782 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.912 -13.399 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.534 -12.433 3.822 1.00 0.00 H new ATOM 923 N VAL A 61 -0.392 -15.065 2.372 1.00 0.00 N ATOM 924 CA VAL A 61 0.466 -15.822 1.477 1.00 0.00 C ATOM 925 C VAL A 61 1.045 -17.024 2.226 1.00 0.00 C ATOM 926 O VAL A 61 1.423 -18.020 1.612 1.00 0.00 O ATOM 927 CB VAL A 61 1.542 -14.909 0.887 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.884 -15.638 0.786 1.00 0.00 C ATOM 929 CG2 VAL A 61 1.112 -14.362 -0.475 1.00 0.00 C ATOM 0 H VAL A 61 -0.215 -14.061 2.385 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.108 -16.210 0.636 1.00 0.00 H new ATOM 0 HB VAL A 61 1.670 -14.063 1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.632 -14.967 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.201 -15.955 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.776 -16.512 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.895 -13.716 -0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.942 -15.190 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.192 -13.789 -0.363 1.00 0.00 H new ATOM 939 N ARG A 62 1.097 -16.890 3.543 1.00 0.00 N ATOM 940 CA ARG A 62 1.624 -17.952 4.383 1.00 0.00 C ATOM 941 C ARG A 62 0.849 -19.250 4.147 1.00 0.00 C ATOM 942 O ARG A 62 1.446 -20.301 3.919 1.00 0.00 O ATOM 943 CB ARG A 62 1.538 -17.577 5.864 1.00 0.00 C ATOM 944 CG ARG A 62 2.932 -17.368 6.459 1.00 0.00 C ATOM 945 CD ARG A 62 2.943 -16.185 7.428 1.00 0.00 C ATOM 946 NE ARG A 62 3.022 -16.673 8.823 1.00 0.00 N ATOM 947 CZ ARG A 62 1.976 -17.147 9.513 1.00 0.00 C ATOM 948 NH1 ARG A 62 0.764 -17.199 8.942 1.00 0.00 N ATOM 949 NH2 ARG A 62 2.140 -17.568 10.775 1.00 0.00 N ATOM 0 H ARG A 62 0.783 -16.062 4.049 1.00 0.00 H new ATOM 0 HA ARG A 62 2.671 -18.096 4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.950 -16.667 5.979 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.019 -18.363 6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.248 -18.272 6.980 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.651 -17.193 5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.792 -15.536 7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.042 -15.586 7.294 1.00 0.00 H new ATOM 0 HE ARG A 62 3.929 -16.647 9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.638 -16.878 7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.032 -17.560 9.467 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.061 -17.528 11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.343 -17.929 11.300 1.00 0.00 H new ATOM 963 N GLU A 63 -0.470 -19.134 4.209 1.00 0.00 N ATOM 964 CA GLU A 63 -1.332 -20.285 4.004 1.00 0.00 C ATOM 965 C GLU A 63 -1.177 -20.818 2.579 1.00 0.00 C ATOM 966 O GLU A 63 -1.164 -22.029 2.363 1.00 0.00 O ATOM 967 CB GLU A 63 -2.792 -19.936 4.303 1.00 0.00 C ATOM 968 CG GLU A 63 -3.075 -20.004 5.805 1.00 0.00 C ATOM 969 CD GLU A 63 -3.158 -21.456 6.282 1.00 0.00 C ATOM 970 OE1 GLU A 63 -3.737 -22.268 5.529 1.00 0.00 O ATOM 971 OE2 GLU A 63 -2.641 -21.720 7.389 1.00 0.00 O ATOM 0 H GLU A 63 -0.962 -18.261 4.398 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.030 -21.069 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.014 -18.935 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.450 -20.625 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.289 -19.482 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.011 -19.491 6.026 1.00 0.00 H new ATOM 978 N ILE A 64 -1.063 -19.888 1.642 1.00 0.00 N ATOM 979 CA ILE A 64 -0.909 -20.249 0.243 1.00 0.00 C ATOM 980 C ILE A 64 0.199 -21.296 0.110 1.00 0.00 C ATOM 981 O ILE A 64 1.213 -21.222 0.802 1.00 0.00 O ATOM 982 CB ILE A 64 -0.681 -19.000 -0.611 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.912 -18.091 -0.592 1.00 0.00 C ATOM 984 CG2 ILE A 64 -0.268 -19.378 -2.035 1.00 0.00 C ATOM 985 CD1 ILE A 64 -2.270 -17.625 -2.005 1.00 0.00 C ATOM 0 H ILE A 64 -1.074 -18.885 1.825 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.824 -20.703 -0.136 1.00 0.00 H new ATOM 0 HB ILE A 64 0.143 -18.434 -0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.756 -18.625 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.720 -17.226 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.112 -18.472 -2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.657 -19.954 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.054 -19.977 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.148 -16.981 -1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.432 -17.071 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.485 -18.492 -2.630 1.00 0.00 H new ATOM 997 N PRO A 65 -0.039 -22.271 -0.807 1.00 0.00 N ATOM 998 CA PRO A 65 0.927 -23.331 -1.040 1.00 0.00 C ATOM 999 C PRO A 65 2.122 -22.817 -1.845 1.00 0.00 C ATOM 1000 O PRO A 65 2.071 -21.727 -2.412 1.00 0.00 O ATOM 1001 CB PRO A 65 0.150 -24.420 -1.761 1.00 0.00 C ATOM 1002 CG PRO A 65 -1.094 -23.746 -2.317 1.00 0.00 C ATOM 1003 CD PRO A 65 -1.229 -22.390 -1.645 1.00 0.00 C ATOM 0 HA PRO A 65 1.361 -23.714 -0.117 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.746 -24.861 -2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.115 -25.228 -1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.015 -23.630 -3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.977 -24.356 -2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.277 -21.587 -2.380 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.140 -22.332 -1.049 1.00 0.00 H new ATOM 1011 N PRO A 66 3.199 -23.648 -1.869 1.00 0.00 N ATOM 1012 CA PRO A 66 4.405 -23.289 -2.595 1.00 0.00 C ATOM 1013 C PRO A 66 4.205 -23.447 -4.104 1.00 0.00 C ATOM 1014 O PRO A 66 5.129 -23.222 -4.883 1.00 0.00 O ATOM 1015 CB PRO A 66 5.485 -24.203 -2.040 1.00 0.00 C ATOM 1016 CG PRO A 66 4.753 -25.350 -1.363 1.00 0.00 C ATOM 1017 CD PRO A 66 3.296 -24.947 -1.209 1.00 0.00 C ATOM 0 HA PRO A 66 4.680 -22.243 -2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.134 -24.569 -2.836 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.120 -23.672 -1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.837 -26.260 -1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.195 -25.563 -0.390 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.632 -25.677 -1.672 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.013 -24.880 -0.159 1.00 0.00 H new ATOM 1025 N GLN A 67 2.992 -23.833 -4.470 1.00 0.00 N ATOM 1026 CA GLN A 67 2.658 -24.024 -5.871 1.00 0.00 C ATOM 1027 C GLN A 67 1.872 -22.822 -6.399 1.00 0.00 C ATOM 1028 O GLN A 67 1.811 -22.597 -7.606 1.00 0.00 O ATOM 1029 CB GLN A 67 1.877 -25.323 -6.077 1.00 0.00 C ATOM 1030 CG GLN A 67 0.428 -25.172 -5.607 1.00 0.00 C ATOM 1031 CD GLN A 67 -0.062 -26.449 -4.921 1.00 0.00 C ATOM 1032 OE1 GLN A 67 0.395 -26.826 -3.855 1.00 0.00 O ATOM 1033 NE2 GLN A 67 -1.014 -27.091 -5.592 1.00 0.00 N ATOM 0 H GLN A 67 2.228 -24.019 -3.820 1.00 0.00 H new ATOM 0 HA GLN A 67 3.586 -24.103 -6.437 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.894 -25.599 -7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.359 -26.132 -5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.352 -24.332 -4.917 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.213 -24.944 -6.459 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.351 -26.719 -6.480 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.407 -27.955 -5.219 1.00 0.00 H new ATOM 1042 N SER A 68 1.291 -22.081 -5.467 1.00 0.00 N ATOM 1043 CA SER A 68 0.511 -20.907 -5.823 1.00 0.00 C ATOM 1044 C SER A 68 1.128 -19.658 -5.191 1.00 0.00 C ATOM 1045 O SER A 68 0.476 -18.619 -5.096 1.00 0.00 O ATOM 1046 CB SER A 68 -0.946 -21.060 -5.383 1.00 0.00 C ATOM 1047 OG SER A 68 -1.835 -20.316 -6.212 1.00 0.00 O ATOM 0 H SER A 68 1.344 -22.270 -4.466 1.00 0.00 H new ATOM 0 HA SER A 68 0.525 -20.802 -6.908 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.223 -22.114 -5.408 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.050 -20.727 -4.350 1.00 0.00 H new ATOM 0 HG SER A 68 -2.755 -20.441 -5.900 1.00 0.00 H new ATOM 1053 N ARG A 69 2.378 -19.800 -4.774 1.00 0.00 N ATOM 1054 CA ARG A 69 3.090 -18.696 -4.154 1.00 0.00 C ATOM 1055 C ARG A 69 4.029 -18.035 -5.165 1.00 0.00 C ATOM 1056 O ARG A 69 4.211 -16.818 -5.146 1.00 0.00 O ATOM 1057 CB ARG A 69 3.904 -19.173 -2.949 1.00 0.00 C ATOM 1058 CG ARG A 69 4.054 -18.057 -1.913 1.00 0.00 C ATOM 1059 CD ARG A 69 5.372 -18.193 -1.148 1.00 0.00 C ATOM 1060 NE ARG A 69 5.425 -17.201 -0.051 1.00 0.00 N ATOM 1061 CZ ARG A 69 6.148 -17.355 1.067 1.00 0.00 C ATOM 1062 NH1 ARG A 69 6.883 -18.462 1.243 1.00 0.00 N ATOM 1063 NH2 ARG A 69 6.136 -16.403 2.009 1.00 0.00 N ATOM 0 H ARG A 69 2.916 -20.663 -4.854 1.00 0.00 H new ATOM 0 HA ARG A 69 2.349 -17.973 -3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.415 -20.034 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.889 -19.503 -3.279 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.016 -17.087 -2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.218 -18.090 -1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.465 -19.201 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.213 -18.043 -1.826 1.00 0.00 H new ATOM 0 HE ARG A 69 4.877 -16.347 -0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.892 -19.187 0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.433 -18.579 2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.577 -15.561 1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.686 -16.520 2.860 1.00 0.00 H new ATOM 1077 N GLY A 70 4.601 -18.865 -6.025 1.00 0.00 N ATOM 1078 CA GLY A 70 5.516 -18.377 -7.042 1.00 0.00 C ATOM 1079 C GLY A 70 5.087 -16.998 -7.549 1.00 0.00 C ATOM 1080 O GLY A 70 5.904 -16.083 -7.637 1.00 0.00 O ATOM 0 H GLY A 70 4.448 -19.873 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.524 -18.320 -6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.549 -19.080 -7.874 1.00 0.00 H new ATOM 1084 N MET A 71 3.806 -16.894 -7.870 1.00 0.00 N ATOM 1085 CA MET A 71 3.258 -15.643 -8.367 1.00 0.00 C ATOM 1086 C MET A 71 3.110 -14.622 -7.237 1.00 0.00 C ATOM 1087 O MET A 71 3.776 -13.588 -7.238 1.00 0.00 O ATOM 1088 CB MET A 71 1.891 -15.901 -9.004 1.00 0.00 C ATOM 1089 CG MET A 71 1.961 -15.762 -10.526 1.00 0.00 C ATOM 1090 SD MET A 71 1.873 -17.372 -11.291 1.00 0.00 S ATOM 1091 CE MET A 71 2.770 -17.048 -12.800 1.00 0.00 C ATOM 0 H MET A 71 3.131 -17.655 -7.796 1.00 0.00 H new ATOM 0 HA MET A 71 3.944 -15.238 -9.110 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.547 -16.901 -8.742 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.161 -15.198 -8.604 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.142 -15.137 -10.880 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.888 -15.265 -10.812 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.810 -17.956 -13.401 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.265 -16.263 -13.362 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.783 -16.727 -12.559 1.00 0.00 H new ATOM 1101 N TYR A 72 2.233 -14.949 -6.299 1.00 0.00 N ATOM 1102 CA TYR A 72 1.989 -14.074 -5.165 1.00 0.00 C ATOM 1103 C TYR A 72 3.303 -13.540 -4.591 1.00 0.00 C ATOM 1104 O TYR A 72 3.491 -12.329 -4.485 1.00 0.00 O ATOM 1105 CB TYR A 72 1.298 -14.937 -4.107 1.00 0.00 C ATOM 1106 CG TYR A 72 0.138 -14.238 -3.395 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.356 -13.056 -2.717 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -1.127 -14.790 -3.431 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.736 -12.399 -2.046 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -2.219 -14.132 -2.761 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.970 -12.969 -2.102 1.00 0.00 C ATOM 1112 OH TYR A 72 -3.001 -12.348 -1.469 1.00 0.00 O ATOM 0 H TYR A 72 1.683 -15.808 -6.301 1.00 0.00 H new ATOM 0 HA TYR A 72 1.386 -13.217 -5.465 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.926 -15.846 -4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.035 -15.243 -3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.345 -12.624 -2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.298 -15.715 -3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.579 -11.474 -1.510 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.213 -14.553 -2.782 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.205 -11.505 -1.925 1.00 0.00 H new ATOM 1122 N SER A 73 4.178 -14.470 -4.238 1.00 0.00 N ATOM 1123 CA SER A 73 5.469 -14.108 -3.678 1.00 0.00 C ATOM 1124 C SER A 73 6.064 -12.930 -4.452 1.00 0.00 C ATOM 1125 O SER A 73 6.427 -11.914 -3.861 1.00 0.00 O ATOM 1126 CB SER A 73 6.431 -15.297 -3.699 1.00 0.00 C ATOM 1127 OG SER A 73 7.186 -15.395 -2.495 1.00 0.00 O ATOM 0 H SER A 73 4.018 -15.473 -4.329 1.00 0.00 H new ATOM 0 HA SER A 73 5.321 -13.814 -2.639 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.866 -16.217 -3.849 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.110 -15.199 -4.546 1.00 0.00 H new ATOM 0 HG SER A 73 7.787 -16.167 -2.548 1.00 0.00 H new ATOM 1133 N ASN A 74 6.145 -13.106 -5.763 1.00 0.00 N ATOM 1134 CA ASN A 74 6.690 -12.070 -6.624 1.00 0.00 C ATOM 1135 C ASN A 74 5.914 -10.769 -6.403 1.00 0.00 C ATOM 1136 O ASN A 74 6.497 -9.686 -6.410 1.00 0.00 O ATOM 1137 CB ASN A 74 6.558 -12.454 -8.099 1.00 0.00 C ATOM 1138 CG ASN A 74 6.784 -11.242 -9.004 1.00 0.00 C ATOM 1139 OD1 ASN A 74 7.551 -10.343 -8.701 1.00 0.00 O ATOM 1140 ND2 ASN A 74 6.075 -11.267 -10.129 1.00 0.00 N ATOM 0 H ASN A 74 5.843 -13.950 -6.250 1.00 0.00 H new ATOM 0 HA ASN A 74 7.744 -11.946 -6.377 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.281 -13.233 -8.342 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.567 -12.870 -8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.155 -10.503 -10.800 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.451 -12.051 -10.321 1.00 0.00 H new ATOM 1147 N ARG A 75 4.612 -10.920 -6.213 1.00 0.00 N ATOM 1148 CA ARG A 75 3.751 -9.770 -5.990 1.00 0.00 C ATOM 1149 C ARG A 75 4.103 -9.092 -4.665 1.00 0.00 C ATOM 1150 O ARG A 75 4.215 -7.869 -4.600 1.00 0.00 O ATOM 1151 CB ARG A 75 2.277 -10.182 -5.969 1.00 0.00 C ATOM 1152 CG ARG A 75 1.919 -11.002 -7.210 1.00 0.00 C ATOM 1153 CD ARG A 75 0.482 -10.722 -7.656 1.00 0.00 C ATOM 1154 NE ARG A 75 -0.242 -11.996 -7.859 1.00 0.00 N ATOM 1155 CZ ARG A 75 -0.088 -12.785 -8.931 1.00 0.00 C ATOM 1156 NH1 ARG A 75 0.766 -12.436 -9.903 1.00 0.00 N ATOM 1157 NH2 ARG A 75 -0.787 -13.924 -9.031 1.00 0.00 N ATOM 0 H ARG A 75 4.132 -11.820 -6.209 1.00 0.00 H new ATOM 0 HA ARG A 75 3.910 -9.072 -6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.072 -10.766 -5.072 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.648 -9.293 -5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.608 -10.763 -8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.037 -12.064 -6.995 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.029 -10.119 -6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.485 -10.145 -8.581 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.900 -12.292 -7.138 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.299 -11.570 -9.827 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.883 -13.037 -10.719 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.436 -14.190 -8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.670 -14.524 -9.847 1.00 0.00 H new ATOM 1171 N MET A 76 4.268 -9.916 -3.640 1.00 0.00 N ATOM 1172 CA MET A 76 4.605 -9.410 -2.320 1.00 0.00 C ATOM 1173 C MET A 76 5.962 -8.703 -2.334 1.00 0.00 C ATOM 1174 O MET A 76 6.175 -7.747 -1.590 1.00 0.00 O ATOM 1175 CB MET A 76 4.643 -10.571 -1.324 1.00 0.00 C ATOM 1176 CG MET A 76 3.363 -11.405 -1.404 1.00 0.00 C ATOM 1177 SD MET A 76 1.935 -10.334 -1.392 1.00 0.00 S ATOM 1178 CE MET A 76 2.199 -9.483 0.154 1.00 0.00 C ATOM 0 H MET A 76 4.175 -10.930 -3.697 1.00 0.00 H new ATOM 0 HA MET A 76 3.844 -8.688 -2.022 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.507 -11.203 -1.530 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.766 -10.183 -0.313 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.368 -12.008 -2.312 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.316 -12.096 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.348 -8.835 0.363 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.306 -10.212 0.957 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.105 -8.881 0.088 1.00 0.00 H new ATOM 1188 N ARG A 77 6.844 -9.201 -3.188 1.00 0.00 N ATOM 1189 CA ARG A 77 8.174 -8.629 -3.309 1.00 0.00 C ATOM 1190 C ARG A 77 8.140 -7.389 -4.205 1.00 0.00 C ATOM 1191 O ARG A 77 9.009 -6.525 -4.108 1.00 0.00 O ATOM 1192 CB ARG A 77 9.159 -9.644 -3.891 1.00 0.00 C ATOM 1193 CG ARG A 77 9.438 -10.772 -2.896 1.00 0.00 C ATOM 1194 CD ARG A 77 10.452 -10.330 -1.838 1.00 0.00 C ATOM 1195 NE ARG A 77 10.880 -11.495 -1.030 1.00 0.00 N ATOM 1196 CZ ARG A 77 11.677 -11.412 0.043 1.00 0.00 C ATOM 1197 NH1 ARG A 77 12.139 -10.219 0.445 1.00 0.00 N ATOM 1198 NH2 ARG A 77 12.014 -12.521 0.715 1.00 0.00 N ATOM 0 H ARG A 77 6.663 -9.995 -3.803 1.00 0.00 H new ATOM 0 HA ARG A 77 8.507 -8.349 -2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.755 -10.060 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 77 10.092 -9.143 -4.149 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.509 -11.073 -2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.818 -11.645 -3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 77 11.317 -9.873 -2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.009 -9.572 -1.192 1.00 0.00 H new ATOM 0 HE ARG A 77 10.547 -12.418 -1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 77 11.883 -9.374 -0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 77 12.746 -10.156 1.262 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.664 -13.429 0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.621 -12.457 1.532 1.00 0.00 H new ATOM 1212 N SER A 78 7.126 -7.342 -5.057 1.00 0.00 N ATOM 1213 CA SER A 78 6.967 -6.223 -5.969 1.00 0.00 C ATOM 1214 C SER A 78 6.233 -5.077 -5.269 1.00 0.00 C ATOM 1215 O SER A 78 6.693 -3.936 -5.290 1.00 0.00 O ATOM 1216 CB SER A 78 6.211 -6.644 -7.231 1.00 0.00 C ATOM 1217 OG SER A 78 6.988 -6.446 -8.410 1.00 0.00 O ATOM 0 H SER A 78 6.407 -8.061 -5.134 1.00 0.00 H new ATOM 0 HA SER A 78 7.958 -5.883 -6.268 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.932 -7.695 -7.153 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.285 -6.073 -7.307 1.00 0.00 H new ATOM 0 HG SER A 78 6.471 -6.728 -9.193 1.00 0.00 H new ATOM 1223 N TYR A 79 5.105 -5.420 -4.665 1.00 0.00 N ATOM 1224 CA TYR A 79 4.304 -4.434 -3.960 1.00 0.00 C ATOM 1225 C TYR A 79 5.179 -3.553 -3.068 1.00 0.00 C ATOM 1226 O TYR A 79 5.145 -2.328 -3.174 1.00 0.00 O ATOM 1227 CB TYR A 79 3.336 -5.229 -3.081 1.00 0.00 C ATOM 1228 CG TYR A 79 2.179 -5.869 -3.850 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.567 -5.180 -4.877 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.747 -7.137 -3.516 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.478 -5.783 -5.600 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.658 -7.740 -4.240 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.077 -7.033 -5.246 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.952 -7.603 -5.930 1.00 0.00 O ATOM 0 H TYR A 79 4.727 -6.367 -4.649 1.00 0.00 H new ATOM 0 HA TYR A 79 3.789 -3.782 -4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.891 -6.011 -2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.929 -4.567 -2.317 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.905 -4.188 -5.138 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.226 -7.676 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.010 -5.254 -6.406 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.310 -8.731 -3.990 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.620 -7.965 -6.778 1.00 0.00 H new ATOM 1244 N LYS A 80 5.943 -4.211 -2.208 1.00 0.00 N ATOM 1245 CA LYS A 80 6.827 -3.502 -1.297 1.00 0.00 C ATOM 1246 C LYS A 80 7.610 -2.443 -2.075 1.00 0.00 C ATOM 1247 O LYS A 80 7.683 -1.289 -1.657 1.00 0.00 O ATOM 1248 CB LYS A 80 7.715 -4.489 -0.536 1.00 0.00 C ATOM 1249 CG LYS A 80 6.975 -5.075 0.669 1.00 0.00 C ATOM 1250 CD LYS A 80 7.193 -6.586 0.763 1.00 0.00 C ATOM 1251 CE LYS A 80 5.865 -7.321 0.955 1.00 0.00 C ATOM 1252 NZ LYS A 80 5.350 -7.111 2.326 1.00 0.00 N ATOM 0 H LYS A 80 5.968 -5.227 -2.123 1.00 0.00 H new ATOM 0 HA LYS A 80 6.250 -2.977 -0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.026 -5.293 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.621 -3.985 -0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.325 -4.596 1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.909 -4.862 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.683 -6.943 -0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.860 -6.810 1.595 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.136 -6.963 0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.002 -8.387 0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.448 -7.617 2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.039 -7.474 3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.200 -6.095 2.489 1.00 0.00 H new ATOM 1266 N GLN A 81 8.177 -2.874 -3.192 1.00 0.00 N ATOM 1267 CA GLN A 81 8.953 -1.977 -4.032 1.00 0.00 C ATOM 1268 C GLN A 81 8.172 -0.687 -4.294 1.00 0.00 C ATOM 1269 O GLN A 81 8.666 0.407 -4.026 1.00 0.00 O ATOM 1270 CB GLN A 81 9.345 -2.657 -5.345 1.00 0.00 C ATOM 1271 CG GLN A 81 10.863 -2.820 -5.447 1.00 0.00 C ATOM 1272 CD GLN A 81 11.543 -1.472 -5.694 1.00 0.00 C ATOM 1273 OE1 GLN A 81 10.909 -0.472 -5.987 1.00 0.00 O ATOM 1274 NE2 GLN A 81 12.866 -1.501 -5.559 1.00 0.00 N ATOM 0 H GLN A 81 8.115 -3.833 -3.535 1.00 0.00 H new ATOM 0 HA GLN A 81 9.872 -1.722 -3.505 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.866 -3.634 -5.410 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.982 -2.067 -6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.248 -3.262 -4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.105 -3.508 -6.257 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.334 -2.373 -5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.412 -0.652 -5.703 1.00 0.00 H new ATOM 1283 N GLU A 82 6.966 -0.859 -4.814 1.00 0.00 N ATOM 1284 CA GLU A 82 6.112 0.278 -5.115 1.00 0.00 C ATOM 1285 C GLU A 82 5.651 0.952 -3.822 1.00 0.00 C ATOM 1286 O GLU A 82 5.860 2.150 -3.633 1.00 0.00 O ATOM 1287 CB GLU A 82 4.916 -0.146 -5.970 1.00 0.00 C ATOM 1288 CG GLU A 82 4.059 1.063 -6.351 1.00 0.00 C ATOM 1289 CD GLU A 82 3.860 1.139 -7.866 1.00 0.00 C ATOM 1290 OE1 GLU A 82 4.867 1.408 -8.557 1.00 0.00 O ATOM 1291 OE2 GLU A 82 2.707 0.926 -8.299 1.00 0.00 O ATOM 0 H GLU A 82 6.560 -1.768 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 82 6.690 1.000 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.268 -0.646 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.310 -0.868 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.090 0.997 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.536 1.977 -5.997 1.00 0.00 H new ATOM 1298 N MET A 83 5.031 0.155 -2.965 1.00 0.00 N ATOM 1299 CA MET A 83 4.538 0.660 -1.694 1.00 0.00 C ATOM 1300 C MET A 83 5.559 1.593 -1.042 1.00 0.00 C ATOM 1301 O MET A 83 5.291 2.779 -0.855 1.00 0.00 O ATOM 1302 CB MET A 83 4.247 -0.514 -0.757 1.00 0.00 C ATOM 1303 CG MET A 83 2.894 -0.338 -0.063 1.00 0.00 C ATOM 1304 SD MET A 83 3.103 0.570 1.459 1.00 0.00 S ATOM 1305 CE MET A 83 1.750 1.726 1.318 1.00 0.00 C ATOM 0 H MET A 83 4.858 -0.837 -3.125 1.00 0.00 H new ATOM 0 HA MET A 83 3.624 1.225 -1.878 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.251 -1.446 -1.323 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.036 -0.592 -0.009 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.205 0.192 -0.721 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.452 -1.313 0.143 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.817 2.464 2.117 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.802 2.231 0.353 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.804 1.190 1.397 1.00 0.00 H new ATOM 1315 N GLY A 84 6.709 1.023 -0.713 1.00 0.00 N ATOM 1316 CA GLY A 84 7.772 1.790 -0.086 1.00 0.00 C ATOM 1317 C GLY A 84 8.061 3.071 -0.870 1.00 0.00 C ATOM 1318 O GLY A 84 8.246 4.135 -0.281 1.00 0.00 O ATOM 0 H GLY A 84 6.928 0.039 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.489 2.041 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.676 1.184 -0.027 1.00 0.00 H new ATOM 1322 N LYS A 85 8.089 2.928 -2.187 1.00 0.00 N ATOM 1323 CA LYS A 85 8.352 4.061 -3.058 1.00 0.00 C ATOM 1324 C LYS A 85 7.221 5.081 -2.915 1.00 0.00 C ATOM 1325 O LYS A 85 7.470 6.283 -2.841 1.00 0.00 O ATOM 1326 CB LYS A 85 8.577 3.590 -4.496 1.00 0.00 C ATOM 1327 CG LYS A 85 10.017 3.856 -4.941 1.00 0.00 C ATOM 1328 CD LYS A 85 10.073 4.225 -6.425 1.00 0.00 C ATOM 1329 CE LYS A 85 11.026 5.397 -6.663 1.00 0.00 C ATOM 1330 NZ LYS A 85 10.349 6.469 -7.427 1.00 0.00 N ATOM 0 H LYS A 85 7.934 2.044 -2.672 1.00 0.00 H new ATOM 0 HA LYS A 85 9.274 4.563 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.360 2.524 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.885 4.104 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.442 4.664 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.627 2.971 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.400 3.362 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.075 4.486 -6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.376 5.789 -5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.905 5.054 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.015 7.250 -7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.022 6.092 -8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.534 6.820 -6.885 1.00 0.00 H new ATOM 1344 N LEU A 86 6.001 4.564 -2.881 1.00 0.00 N ATOM 1345 CA LEU A 86 4.831 5.415 -2.748 1.00 0.00 C ATOM 1346 C LEU A 86 5.014 6.342 -1.545 1.00 0.00 C ATOM 1347 O LEU A 86 4.525 7.471 -1.547 1.00 0.00 O ATOM 1348 CB LEU A 86 3.558 4.569 -2.685 1.00 0.00 C ATOM 1349 CG LEU A 86 2.856 4.312 -4.020 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.016 3.035 -3.961 1.00 0.00 C ATOM 1351 CD2 LEU A 86 2.027 5.525 -4.447 1.00 0.00 C ATOM 0 H LEU A 86 5.798 3.566 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 86 4.720 6.051 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.807 3.607 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.852 5.060 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 86 3.619 4.160 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.528 2.876 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.661 2.185 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.260 3.133 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.539 5.315 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.271 5.734 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.680 6.391 -4.557 1.00 0.00 H new ATOM 1363 N GLU A 87 5.719 5.832 -0.547 1.00 0.00 N ATOM 1364 CA GLU A 87 5.973 6.600 0.660 1.00 0.00 C ATOM 1365 C GLU A 87 6.966 7.728 0.373 1.00 0.00 C ATOM 1366 O GLU A 87 6.854 8.817 0.935 1.00 0.00 O ATOM 1367 CB GLU A 87 6.478 5.698 1.788 1.00 0.00 C ATOM 1368 CG GLU A 87 5.328 5.260 2.697 1.00 0.00 C ATOM 1369 CD GLU A 87 5.642 5.563 4.163 1.00 0.00 C ATOM 1370 OE1 GLU A 87 6.510 4.854 4.716 1.00 0.00 O ATOM 1371 OE2 GLU A 87 5.006 6.497 4.698 1.00 0.00 O ATOM 0 H GLU A 87 6.123 4.895 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 87 5.034 7.045 0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.967 4.820 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.228 6.229 2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.412 5.773 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.148 4.192 2.573 1.00 0.00 H new ATOM 1378 N THR A 88 7.915 7.429 -0.502 1.00 0.00 N ATOM 1379 CA THR A 88 8.927 8.404 -0.871 1.00 0.00 C ATOM 1380 C THR A 88 8.349 9.428 -1.851 1.00 0.00 C ATOM 1381 O THR A 88 8.266 10.614 -1.538 1.00 0.00 O ATOM 1382 CB THR A 88 10.134 7.646 -1.426 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.833 7.208 -0.264 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.129 8.567 -2.134 1.00 0.00 C ATOM 0 H THR A 88 8.004 6.525 -0.966 1.00 0.00 H new ATOM 0 HA THR A 88 9.256 8.979 -0.006 1.00 0.00 H new ATOM 0 HB THR A 88 9.792 6.879 -2.121 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.630 6.705 -0.532 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.966 7.978 -2.509 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.634 9.065 -2.967 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.497 9.314 -1.431 1.00 0.00 H new ATOM 1392 N ASP A 89 7.965 8.931 -3.017 1.00 0.00 N ATOM 1393 CA ASP A 89 7.397 9.787 -4.045 1.00 0.00 C ATOM 1394 C ASP A 89 6.399 10.753 -3.404 1.00 0.00 C ATOM 1395 O ASP A 89 6.396 11.943 -3.713 1.00 0.00 O ATOM 1396 CB ASP A 89 6.651 8.964 -5.097 1.00 0.00 C ATOM 1397 CG ASP A 89 7.136 9.159 -6.535 1.00 0.00 C ATOM 1398 OD1 ASP A 89 6.689 10.148 -7.155 1.00 0.00 O ATOM 1399 OD2 ASP A 89 7.943 8.316 -6.980 1.00 0.00 O ATOM 0 H ASP A 89 8.036 7.946 -3.273 1.00 0.00 H new ATOM 0 HA ASP A 89 8.214 10.327 -4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.739 7.908 -4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.592 9.216 -5.050 1.00 0.00 H new ATOM 1404 N PHE A 90 5.575 10.204 -2.523 1.00 0.00 N ATOM 1405 CA PHE A 90 4.574 11.002 -1.836 1.00 0.00 C ATOM 1406 C PHE A 90 5.219 12.183 -1.109 1.00 0.00 C ATOM 1407 O PHE A 90 4.709 13.302 -1.161 1.00 0.00 O ATOM 1408 CB PHE A 90 3.904 10.089 -0.807 1.00 0.00 C ATOM 1409 CG PHE A 90 3.077 10.836 0.242 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.387 11.955 -0.107 1.00 0.00 C ATOM 1411 CD2 PHE A 90 3.033 10.381 1.523 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.620 12.648 0.867 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.266 11.075 2.496 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.576 12.194 2.148 1.00 0.00 C ATOM 0 H PHE A 90 5.580 9.216 -2.269 1.00 0.00 H new ATOM 0 HA PHE A 90 3.858 11.400 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.258 9.383 -1.329 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.672 9.504 -0.301 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.422 12.316 -1.124 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.581 9.493 1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.071 13.536 0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.231 10.714 3.513 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.993 12.722 2.889 1.00 0.00 H new ATOM 1424 N LYS A 91 6.331 11.895 -0.449 1.00 0.00 N ATOM 1425 CA LYS A 91 7.051 12.920 0.287 1.00 0.00 C ATOM 1426 C LYS A 91 7.813 13.809 -0.698 1.00 0.00 C ATOM 1427 O LYS A 91 7.992 15.002 -0.453 1.00 0.00 O ATOM 1428 CB LYS A 91 7.942 12.285 1.357 1.00 0.00 C ATOM 1429 CG LYS A 91 9.077 13.230 1.758 1.00 0.00 C ATOM 1430 CD LYS A 91 10.066 12.533 2.693 1.00 0.00 C ATOM 1431 CE LYS A 91 11.509 12.894 2.333 1.00 0.00 C ATOM 1432 NZ LYS A 91 11.790 14.306 2.675 1.00 0.00 N ATOM 0 H LYS A 91 6.751 10.966 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 91 6.354 13.563 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.343 12.038 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.358 11.350 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.598 13.578 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.665 14.111 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.862 12.821 3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.931 11.453 2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.198 12.240 2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.676 12.731 1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.773 14.535 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.144 14.926 2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.650 14.450 3.695 1.00 0.00 H new ATOM 1446 N ARG A 92 8.241 13.196 -1.791 1.00 0.00 N ATOM 1447 CA ARG A 92 8.980 13.917 -2.814 1.00 0.00 C ATOM 1448 C ARG A 92 8.014 14.653 -3.746 1.00 0.00 C ATOM 1449 O ARG A 92 8.438 15.270 -4.722 1.00 0.00 O ATOM 1450 CB ARG A 92 9.849 12.966 -3.639 1.00 0.00 C ATOM 1451 CG ARG A 92 11.152 12.640 -2.907 1.00 0.00 C ATOM 1452 CD ARG A 92 11.998 11.648 -3.708 1.00 0.00 C ATOM 1453 NE ARG A 92 12.736 12.359 -4.776 1.00 0.00 N ATOM 1454 CZ ARG A 92 13.358 11.749 -5.794 1.00 0.00 C ATOM 1455 NH1 ARG A 92 13.335 10.413 -5.889 1.00 0.00 N ATOM 1456 NH2 ARG A 92 14.004 12.475 -6.716 1.00 0.00 N ATOM 0 H ARG A 92 8.090 12.207 -1.991 1.00 0.00 H new ATOM 0 HA ARG A 92 9.626 14.637 -2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.300 12.046 -3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 92 10.074 13.418 -4.605 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.719 13.556 -2.741 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.927 12.222 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.699 11.139 -3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.358 10.882 -4.145 1.00 0.00 H new ATOM 0 HE ARG A 92 12.773 13.377 -4.734 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.844 9.860 -5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.808 9.949 -6.664 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.022 13.492 -6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.477 12.011 -7.491 1.00 0.00 H new ATOM 1470 N SER A 93 6.736 14.563 -3.411 1.00 0.00 N ATOM 1471 CA SER A 93 5.707 15.212 -4.206 1.00 0.00 C ATOM 1472 C SER A 93 5.087 16.367 -3.416 1.00 0.00 C ATOM 1473 O SER A 93 4.823 17.432 -3.971 1.00 0.00 O ATOM 1474 CB SER A 93 4.625 14.216 -4.627 1.00 0.00 C ATOM 1475 OG SER A 93 4.797 13.780 -5.973 1.00 0.00 O ATOM 0 H SER A 93 6.389 14.051 -2.600 1.00 0.00 H new ATOM 0 HA SER A 93 6.171 15.606 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.647 13.354 -3.961 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.644 14.678 -4.518 1.00 0.00 H new ATOM 0 HG SER A 93 3.930 13.777 -6.429 1.00 0.00 H new ATOM 1481 N ARG A 94 4.871 16.115 -2.133 1.00 0.00 N ATOM 1482 CA ARG A 94 4.287 17.120 -1.261 1.00 0.00 C ATOM 1483 C ARG A 94 5.338 18.161 -0.871 1.00 0.00 C ATOM 1484 O ARG A 94 5.045 19.098 -0.131 1.00 0.00 O ATOM 1485 CB ARG A 94 3.714 16.484 0.007 1.00 0.00 C ATOM 1486 CG ARG A 94 4.829 15.912 0.885 1.00 0.00 C ATOM 1487 CD ARG A 94 4.251 15.112 2.053 1.00 0.00 C ATOM 1488 NE ARG A 94 5.242 15.027 3.149 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.580 16.056 3.938 1.00 0.00 C ATOM 1490 NH1 ARG A 94 5.007 17.255 3.757 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.489 15.888 4.907 1.00 0.00 N ATOM 0 H ARG A 94 5.090 15.229 -1.677 1.00 0.00 H new ATOM 0 HA ARG A 94 3.478 17.603 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.150 17.229 0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.016 15.692 -0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.476 15.271 0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.449 16.723 1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.338 15.587 2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 94 3.979 14.111 1.719 1.00 0.00 H new ATOM 0 HE ARG A 94 5.696 14.129 3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.314 17.383 3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.264 18.039 4.357 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.925 14.976 5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.746 16.672 5.507 1.00 0.00 H new ATOM 1505 N ILE A 95 6.542 17.961 -1.387 1.00 0.00 N ATOM 1506 CA ILE A 95 7.639 18.871 -1.102 1.00 0.00 C ATOM 1507 C ILE A 95 7.757 19.892 -2.236 1.00 0.00 C ATOM 1508 O ILE A 95 8.591 20.794 -2.179 1.00 0.00 O ATOM 1509 CB ILE A 95 8.928 18.090 -0.841 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.286 17.206 -2.038 1.00 0.00 C ATOM 1511 CG2 ILE A 95 8.829 17.285 0.456 1.00 0.00 C ATOM 1512 CD1 ILE A 95 10.736 16.726 -1.951 1.00 0.00 C ATOM 0 H ILE A 95 6.782 17.182 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 95 7.442 19.431 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 95 9.740 18.806 -0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.616 16.347 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.139 17.763 -2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.759 16.739 0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.656 17.962 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.002 16.579 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.964 16.100 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.404 17.587 -1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 95 10.874 16.149 -1.037 1.00 0.00 H new ATOM 1524 N ALA A 96 6.910 19.715 -3.239 1.00 0.00 N ATOM 1525 CA ALA A 96 6.909 20.609 -4.384 1.00 0.00 C ATOM 1526 C ALA A 96 6.076 21.850 -4.056 1.00 0.00 C ATOM 1527 O ALA A 96 4.883 21.746 -3.778 1.00 0.00 O ATOM 1528 CB ALA A 96 6.385 19.864 -5.614 1.00 0.00 C ATOM 0 H ALA A 96 6.220 18.965 -3.282 1.00 0.00 H new ATOM 0 HA ALA A 96 7.922 20.942 -4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.384 20.535 -6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.028 19.009 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.369 19.517 -5.424 1.00 0.00 H new ATOM 1534 N SER A 97 6.739 22.997 -4.099 1.00 0.00 N ATOM 1535 CA SER A 97 6.075 24.256 -3.809 1.00 0.00 C ATOM 1536 C SER A 97 6.746 25.392 -4.584 1.00 0.00 C ATOM 1537 O SER A 97 6.076 26.155 -5.278 1.00 0.00 O ATOM 1538 CB SER A 97 6.093 24.555 -2.309 1.00 0.00 C ATOM 1539 OG SER A 97 4.825 25.005 -1.839 1.00 0.00 O ATOM 0 H SER A 97 7.729 23.080 -4.330 1.00 0.00 H new ATOM 0 HA SER A 97 5.035 24.174 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.384 23.657 -1.764 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.847 25.313 -2.100 1.00 0.00 H new ATOM 0 HG SER A 97 4.877 25.184 -0.877 1.00 0.00 H new ATOM 1545 N GLY A 98 8.061 25.467 -4.441 1.00 0.00 N ATOM 1546 CA GLY A 98 8.830 26.497 -5.120 1.00 0.00 C ATOM 1547 C GLY A 98 10.269 26.036 -5.361 1.00 0.00 C ATOM 1548 O GLY A 98 10.518 24.851 -5.577 1.00 0.00 O ATOM 0 H GLY A 98 8.614 24.832 -3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.358 26.741 -6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.831 27.409 -4.522 1.00 0.00 H new ATOM 1552 N PRO A 99 11.204 27.024 -5.316 1.00 0.00 N ATOM 1553 CA PRO A 99 12.611 26.732 -5.527 1.00 0.00 C ATOM 1554 C PRO A 99 13.221 26.051 -4.300 1.00 0.00 C ATOM 1555 O PRO A 99 12.712 26.195 -3.189 1.00 0.00 O ATOM 1556 CB PRO A 99 13.249 28.076 -5.838 1.00 0.00 C ATOM 1557 CG PRO A 99 12.273 29.127 -5.335 1.00 0.00 C ATOM 1558 CD PRO A 99 10.946 28.438 -5.063 1.00 0.00 C ATOM 0 HA PRO A 99 12.776 26.028 -6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.216 28.173 -5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.425 28.187 -6.908 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.652 29.597 -4.428 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.148 29.917 -6.075 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.617 28.603 -4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.160 28.820 -5.715 1.00 0.00 H new ATOM 1566 N SER A 100 14.302 25.324 -4.542 1.00 0.00 N ATOM 1567 CA SER A 100 14.986 24.621 -3.470 1.00 0.00 C ATOM 1568 C SER A 100 16.496 24.637 -3.714 1.00 0.00 C ATOM 1569 O SER A 100 17.010 23.842 -4.499 1.00 0.00 O ATOM 1570 CB SER A 100 14.483 23.181 -3.348 1.00 0.00 C ATOM 1571 OG SER A 100 14.801 22.405 -4.500 1.00 0.00 O ATOM 0 H SER A 100 14.721 25.207 -5.465 1.00 0.00 H new ATOM 0 HA SER A 100 14.771 25.133 -2.532 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.923 22.717 -2.465 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.403 23.185 -3.201 1.00 0.00 H new ATOM 0 HG SER A 100 15.675 22.679 -4.848 1.00 0.00 H new ATOM 1577 N SER A 101 17.164 25.552 -3.026 1.00 0.00 N ATOM 1578 CA SER A 101 18.605 25.682 -3.158 1.00 0.00 C ATOM 1579 C SER A 101 19.307 24.857 -2.077 1.00 0.00 C ATOM 1580 O SER A 101 18.775 24.683 -0.982 1.00 0.00 O ATOM 1581 CB SER A 101 19.036 27.147 -3.071 1.00 0.00 C ATOM 1582 OG SER A 101 20.035 27.469 -4.035 1.00 0.00 O ATOM 0 H SER A 101 16.734 26.210 -2.376 1.00 0.00 H new ATOM 0 HA SER A 101 18.894 25.304 -4.139 1.00 0.00 H new ATOM 0 HB2 SER A 101 18.168 27.789 -3.220 1.00 0.00 H new ATOM 0 HB3 SER A 101 19.417 27.354 -2.071 1.00 0.00 H new ATOM 0 HG SER A 101 20.282 28.413 -3.948 1.00 0.00 H new ATOM 1588 N GLY A 102 20.490 24.371 -2.423 1.00 0.00 N ATOM 1589 CA GLY A 102 21.269 23.569 -1.495 1.00 0.00 C ATOM 1590 C GLY A 102 21.420 24.279 -0.149 1.00 0.00 C ATOM 1591 O GLY A 102 22.510 24.728 0.202 1.00 0.00 O ATOM 0 H GLY A 102 20.928 24.517 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 102 20.785 22.603 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 102 22.254 23.371 -1.918 1.00 0.00 H new TER 1595 GLY A 102