USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 THR OG1 : rot -22:sc= 0.756 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.669 K(o=1.4,f=-0.25) USER MOD Set 2.1: A 31 GLN : amide:sc= 0 K(o=-0.032,f=-0.78) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -161:sc= -0.0322 (180deg=-0.269) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0829 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.605 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0647 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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -3.42! C(o=-3.4!,f=-5.5!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 16 LYS NZ :NH3+ 150:sc= -0.551 (180deg=-1.94!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 40 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-4.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 79:sc= 0.259 USER MOD Single : A 49 GLN : amide:sc=-0.000883 X(o=-0.00088,f=-0.024) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 69:sc= 0.647 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 69:sc= 0.729 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.74! C(o=-1.7!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.582 -44.126 -4.835 1.00 0.00 N ATOM 2 CA GLY A 1 -3.433 -43.163 -5.509 1.00 0.00 C ATOM 3 C GLY A 1 -4.396 -42.477 -4.560 1.00 0.00 C ATOM 4 O GLY A 1 -4.508 -42.859 -3.395 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.613 -43.754 -4.779 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.943 -44.296 -3.875 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.580 -45.020 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.811 -42.412 -5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.998 -43.668 -6.293 1.00 0.00 H new ATOM 8 N SER A 2 -5.091 -41.459 -5.058 1.00 0.00 N ATOM 9 CA SER A 2 -6.045 -40.714 -4.245 1.00 0.00 C ATOM 10 C SER A 2 -7.031 -39.953 -5.125 1.00 0.00 C ATOM 11 O SER A 2 -6.759 -39.687 -6.296 1.00 0.00 O ATOM 12 CB SER A 2 -5.309 -39.739 -3.323 1.00 0.00 C ATOM 13 OG SER A 2 -4.996 -40.349 -2.082 1.00 0.00 O ATOM 0 H SER A 2 -5.011 -41.131 -6.021 1.00 0.00 H new ATOM 0 HA SER A 2 -6.602 -41.427 -3.638 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.393 -39.398 -3.806 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.927 -38.857 -3.153 1.00 0.00 H new ATOM 0 HG SER A 2 -4.771 -41.292 -2.228 1.00 0.00 H new ATOM 19 N SER A 3 -8.179 -39.605 -4.552 1.00 0.00 N ATOM 20 CA SER A 3 -9.209 -38.877 -5.285 1.00 0.00 C ATOM 21 C SER A 3 -10.069 -38.049 -4.335 1.00 0.00 C ATOM 22 O SER A 3 -9.888 -38.092 -3.118 1.00 0.00 O ATOM 23 CB SER A 3 -10.090 -39.851 -6.070 1.00 0.00 C ATOM 24 OG SER A 3 -9.320 -40.608 -6.988 1.00 0.00 O ATOM 0 H SER A 3 -8.419 -39.815 -3.583 1.00 0.00 H new ATOM 0 HA SER A 3 -8.715 -38.201 -5.983 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.601 -40.522 -5.379 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.861 -39.298 -6.606 1.00 0.00 H new ATOM 0 HG SER A 3 -9.905 -41.224 -7.476 1.00 0.00 H new ATOM 30 N GLY A 4 -11.007 -37.295 -4.900 1.00 0.00 N ATOM 31 CA GLY A 4 -11.882 -36.468 -4.090 1.00 0.00 C ATOM 32 C GLY A 4 -13.167 -36.106 -4.808 1.00 0.00 C ATOM 33 O GLY A 4 -13.358 -36.463 -5.971 1.00 0.00 O ATOM 0 H GLY A 4 -11.176 -37.242 -5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.122 -36.995 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.357 -35.555 -3.809 1.00 0.00 H new ATOM 37 N SER A 5 -14.052 -35.397 -4.114 1.00 0.00 N ATOM 38 CA SER A 5 -15.328 -34.992 -4.691 1.00 0.00 C ATOM 39 C SER A 5 -15.745 -33.618 -4.176 1.00 0.00 C ATOM 40 O SER A 5 -15.294 -33.176 -3.120 1.00 0.00 O ATOM 41 CB SER A 5 -16.410 -36.022 -4.363 1.00 0.00 C ATOM 42 OG SER A 5 -16.212 -37.220 -5.095 1.00 0.00 O ATOM 0 H SER A 5 -13.908 -35.091 -3.152 1.00 0.00 H new ATOM 0 HA SER A 5 -15.208 -34.934 -5.773 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.399 -36.239 -3.295 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.392 -35.609 -4.594 1.00 0.00 H new ATOM 0 HG SER A 5 -16.915 -37.863 -4.867 1.00 0.00 H new ATOM 48 N SER A 6 -16.610 -32.947 -4.931 1.00 0.00 N ATOM 49 CA SER A 6 -17.086 -31.622 -4.554 1.00 0.00 C ATOM 50 C SER A 6 -18.546 -31.435 -4.954 1.00 0.00 C ATOM 51 O SER A 6 -18.991 -31.947 -5.980 1.00 0.00 O ATOM 52 CB SER A 6 -16.224 -30.541 -5.210 1.00 0.00 C ATOM 53 OG SER A 6 -14.900 -30.570 -4.706 1.00 0.00 O ATOM 0 H SER A 6 -16.995 -33.300 -5.807 1.00 0.00 H new ATOM 0 HA SER A 6 -17.009 -31.531 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.209 -30.689 -6.290 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.664 -29.560 -5.029 1.00 0.00 H new ATOM 0 HG SER A 6 -14.369 -29.871 -5.142 1.00 0.00 H new ATOM 59 N GLY A 7 -19.288 -30.697 -4.134 1.00 0.00 N ATOM 60 CA GLY A 7 -20.691 -30.455 -4.418 1.00 0.00 C ATOM 61 C GLY A 7 -21.280 -29.365 -3.545 1.00 0.00 C ATOM 62 O GLY A 7 -21.744 -29.631 -2.437 1.00 0.00 O ATOM 0 H GLY A 7 -18.943 -30.262 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.804 -30.177 -5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.253 -31.377 -4.271 1.00 0.00 H new ATOM 66 N MET A 8 -21.259 -28.133 -4.044 1.00 0.00 N ATOM 67 CA MET A 8 -21.795 -26.999 -3.301 1.00 0.00 C ATOM 68 C MET A 8 -22.565 -26.059 -4.224 1.00 0.00 C ATOM 69 O MET A 8 -22.028 -25.573 -5.219 1.00 0.00 O ATOM 70 CB MET A 8 -20.664 -26.237 -2.607 1.00 0.00 C ATOM 71 CG MET A 8 -19.582 -25.755 -3.559 1.00 0.00 C ATOM 72 SD MET A 8 -18.131 -25.120 -2.697 1.00 0.00 S ATOM 73 CE MET A 8 -16.930 -25.099 -4.025 1.00 0.00 C ATOM 0 H MET A 8 -20.877 -27.895 -4.959 1.00 0.00 H new ATOM 0 HA MET A 8 -22.482 -27.383 -2.547 1.00 0.00 H new ATOM 0 HB2 MET A 8 -21.084 -25.379 -2.083 1.00 0.00 H new ATOM 0 HB3 MET A 8 -20.212 -26.881 -1.853 1.00 0.00 H new ATOM 0 HG2 MET A 8 -19.283 -26.577 -4.209 1.00 0.00 H new ATOM 0 HG3 MET A 8 -19.990 -24.974 -4.200 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.977 -24.729 -3.648 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.799 -26.109 -4.413 1.00 0.00 H new ATOM 0 HE3 MET A 8 -17.282 -24.446 -4.824 1.00 0.00 H new ATOM 83 N ALA A 9 -23.826 -25.808 -3.887 1.00 0.00 N ATOM 84 CA ALA A 9 -24.668 -24.926 -4.685 1.00 0.00 C ATOM 85 C ALA A 9 -24.902 -23.598 -3.972 1.00 0.00 C ATOM 86 O ALA A 9 -25.118 -23.562 -2.761 1.00 0.00 O ATOM 87 CB ALA A 9 -25.996 -25.601 -4.994 1.00 0.00 C ATOM 0 H ALA A 9 -24.286 -26.203 -3.067 1.00 0.00 H new ATOM 0 HA ALA A 9 -24.150 -24.720 -5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -26.615 -24.931 -5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -25.816 -26.520 -5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -26.510 -25.836 -4.062 1.00 0.00 H new ATOM 93 N SER A 10 -24.856 -22.508 -4.732 1.00 0.00 N ATOM 94 CA SER A 10 -25.058 -21.177 -4.172 1.00 0.00 C ATOM 95 C SER A 10 -25.291 -20.152 -5.278 1.00 0.00 C ATOM 96 O SER A 10 -24.446 -19.962 -6.151 1.00 0.00 O ATOM 97 CB SER A 10 -23.849 -20.767 -3.328 1.00 0.00 C ATOM 98 OG SER A 10 -24.227 -19.866 -2.301 1.00 0.00 O ATOM 0 H SER A 10 -24.681 -22.521 -5.737 1.00 0.00 H new ATOM 0 HA SER A 10 -25.943 -21.208 -3.536 1.00 0.00 H new ATOM 0 HB2 SER A 10 -23.391 -21.653 -2.889 1.00 0.00 H new ATOM 0 HB3 SER A 10 -23.097 -20.302 -3.966 1.00 0.00 H new ATOM 0 HG SER A 10 -23.438 -19.620 -1.775 1.00 0.00 H new ATOM 104 N GLY A 11 -26.445 -19.494 -5.232 1.00 0.00 N ATOM 105 CA GLY A 11 -26.770 -18.496 -6.235 1.00 0.00 C ATOM 106 C GLY A 11 -28.257 -18.210 -6.307 1.00 0.00 C ATOM 107 O GLY A 11 -29.009 -18.955 -6.935 1.00 0.00 O ATOM 0 H GLY A 11 -27.161 -19.634 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -26.236 -17.573 -6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -26.421 -18.838 -7.210 1.00 0.00 H new ATOM 111 N GLN A 12 -28.682 -17.129 -5.661 1.00 0.00 N ATOM 112 CA GLN A 12 -30.089 -16.748 -5.654 1.00 0.00 C ATOM 113 C GLN A 12 -30.675 -16.800 -7.061 1.00 0.00 C ATOM 114 O GLN A 12 -29.942 -16.865 -8.048 1.00 0.00 O ATOM 115 CB GLN A 12 -30.256 -15.343 -5.071 1.00 0.00 C ATOM 116 CG GLN A 12 -31.641 -15.082 -4.501 1.00 0.00 C ATOM 117 CD GLN A 12 -32.618 -14.583 -5.548 1.00 0.00 C ATOM 118 OE1 GLN A 12 -33.662 -15.193 -5.780 1.00 0.00 O ATOM 119 NE2 GLN A 12 -32.284 -13.467 -6.186 1.00 0.00 N ATOM 0 H GLN A 12 -28.072 -16.502 -5.136 1.00 0.00 H new ATOM 0 HA GLN A 12 -30.628 -17.460 -5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -29.515 -15.194 -4.286 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -30.048 -14.609 -5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -32.027 -16.000 -4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -31.567 -14.348 -3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -31.409 -12.994 -5.962 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -32.903 -13.083 -6.900 1.00 0.00 H new ATOM 128 N PHE A 13 -32.001 -16.773 -7.145 1.00 0.00 N ATOM 129 CA PHE A 13 -32.686 -16.820 -8.432 1.00 0.00 C ATOM 130 C PHE A 13 -32.727 -15.437 -9.076 1.00 0.00 C ATOM 131 O PHE A 13 -33.761 -15.011 -9.592 1.00 0.00 O ATOM 132 CB PHE A 13 -34.108 -17.356 -8.257 1.00 0.00 C ATOM 133 CG PHE A 13 -34.185 -18.856 -8.235 1.00 0.00 C ATOM 134 CD1 PHE A 13 -34.073 -19.551 -7.042 1.00 0.00 C ATOM 135 CD2 PHE A 13 -34.369 -19.571 -9.408 1.00 0.00 C ATOM 136 CE1 PHE A 13 -34.142 -20.931 -7.019 1.00 0.00 C ATOM 137 CE2 PHE A 13 -34.439 -20.951 -9.391 1.00 0.00 C ATOM 138 CZ PHE A 13 -34.326 -21.632 -8.195 1.00 0.00 C ATOM 0 H PHE A 13 -32.622 -16.719 -6.338 1.00 0.00 H new ATOM 0 HA PHE A 13 -32.131 -17.491 -9.088 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -34.523 -16.965 -7.328 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -34.732 -16.980 -9.068 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -33.930 -19.008 -6.119 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -34.459 -19.044 -10.346 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -34.052 -21.461 -6.082 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -34.582 -21.496 -10.312 1.00 0.00 H new ATOM 0 HZ PHE A 13 -34.381 -22.710 -8.179 1.00 0.00 H new ATOM 148 N VAL A 14 -31.596 -14.740 -9.041 1.00 0.00 N ATOM 149 CA VAL A 14 -31.501 -13.406 -9.621 1.00 0.00 C ATOM 150 C VAL A 14 -31.094 -13.472 -11.088 1.00 0.00 C ATOM 151 O VAL A 14 -30.197 -14.227 -11.460 1.00 0.00 O ATOM 152 CB VAL A 14 -30.489 -12.532 -8.857 1.00 0.00 C ATOM 153 CG1 VAL A 14 -29.102 -13.154 -8.907 1.00 0.00 C ATOM 154 CG2 VAL A 14 -30.470 -11.120 -9.423 1.00 0.00 C ATOM 0 H VAL A 14 -30.732 -15.077 -8.617 1.00 0.00 H new ATOM 0 HA VAL A 14 -32.490 -12.956 -9.542 1.00 0.00 H new ATOM 0 HB VAL A 14 -30.799 -12.476 -7.813 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -28.400 -12.523 -8.362 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -29.130 -14.143 -8.450 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -28.780 -13.242 -9.945 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -29.749 -10.516 -8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -30.186 -11.153 -10.475 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -31.462 -10.677 -9.329 1.00 0.00 H new ATOM 164 N ASN A 15 -31.759 -12.675 -11.918 1.00 0.00 N ATOM 165 CA ASN A 15 -31.466 -12.643 -13.346 1.00 0.00 C ATOM 166 C ASN A 15 -30.211 -11.823 -13.626 1.00 0.00 C ATOM 167 O ASN A 15 -29.372 -12.209 -14.440 1.00 0.00 O ATOM 168 CB ASN A 15 -32.652 -12.061 -14.119 1.00 0.00 C ATOM 169 CG ASN A 15 -32.424 -12.065 -15.618 1.00 0.00 C ATOM 170 OD1 ASN A 15 -32.008 -13.072 -16.191 1.00 0.00 O ATOM 171 ND2 ASN A 15 -32.695 -10.935 -16.260 1.00 0.00 N ATOM 0 H ASN A 15 -32.504 -12.043 -11.626 1.00 0.00 H new ATOM 0 HA ASN A 15 -31.291 -13.666 -13.678 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -33.549 -12.636 -13.889 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -32.834 -11.040 -13.785 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -32.560 -10.877 -17.269 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -33.038 -10.125 -15.744 1.00 0.00 H new ATOM 178 N LYS A 16 -30.088 -10.689 -12.944 1.00 0.00 N ATOM 179 CA LYS A 16 -28.935 -9.813 -13.116 1.00 0.00 C ATOM 180 C LYS A 16 -27.804 -10.212 -12.174 1.00 0.00 C ATOM 181 O LYS A 16 -27.952 -10.158 -10.952 1.00 0.00 O ATOM 182 CB LYS A 16 -29.332 -8.357 -12.866 1.00 0.00 C ATOM 183 CG LYS A 16 -29.773 -7.622 -14.120 1.00 0.00 C ATOM 184 CD LYS A 16 -28.603 -7.362 -15.054 1.00 0.00 C ATOM 185 CE LYS A 16 -27.906 -6.051 -14.722 1.00 0.00 C ATOM 186 NZ LYS A 16 -27.007 -6.184 -13.542 1.00 0.00 N ATOM 0 H LYS A 16 -30.773 -10.355 -12.266 1.00 0.00 H new ATOM 0 HA LYS A 16 -28.583 -9.915 -14.142 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -30.141 -8.330 -12.136 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -28.487 -7.830 -12.424 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -30.531 -8.209 -14.639 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -30.237 -6.675 -13.844 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -27.890 -8.183 -14.983 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -28.957 -7.336 -16.084 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.327 -5.719 -15.584 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -28.653 -5.282 -14.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -26.213 -5.518 -13.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -27.539 -5.971 -12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -26.640 -7.156 -13.493 1.00 0.00 H new ATOM 200 N LEU A 17 -26.674 -10.610 -12.748 1.00 0.00 N ATOM 201 CA LEU A 17 -25.516 -11.016 -11.959 1.00 0.00 C ATOM 202 C LEU A 17 -24.934 -9.831 -11.195 1.00 0.00 C ATOM 203 O LEU A 17 -24.992 -8.693 -11.660 1.00 0.00 O ATOM 204 CB LEU A 17 -24.446 -11.629 -12.864 1.00 0.00 C ATOM 205 CG LEU A 17 -23.689 -10.652 -13.764 1.00 0.00 C ATOM 206 CD1 LEU A 17 -24.659 -9.727 -14.483 1.00 0.00 C ATOM 207 CD2 LEU A 17 -22.684 -9.848 -12.953 1.00 0.00 C ATOM 0 H LEU A 17 -26.535 -10.660 -13.757 1.00 0.00 H new ATOM 0 HA LEU A 17 -25.844 -11.764 -11.237 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.722 -12.149 -12.237 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.920 -12.381 -13.495 1.00 0.00 H new ATOM 0 HG LEU A 17 -23.144 -11.226 -14.513 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -24.102 -9.039 -15.119 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -25.339 -10.318 -15.096 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -25.232 -9.160 -13.750 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -22.155 -9.158 -13.610 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -23.207 -9.284 -12.181 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -21.969 -10.525 -12.486 1.00 0.00 H new ATOM 219 N GLN A 18 -24.373 -10.107 -10.022 1.00 0.00 N ATOM 220 CA GLN A 18 -23.780 -9.063 -9.196 1.00 0.00 C ATOM 221 C GLN A 18 -22.425 -9.503 -8.652 1.00 0.00 C ATOM 222 O GLN A 18 -22.246 -9.640 -7.442 1.00 0.00 O ATOM 223 CB GLN A 18 -24.715 -8.705 -8.039 1.00 0.00 C ATOM 224 CG GLN A 18 -26.100 -8.270 -8.489 1.00 0.00 C ATOM 225 CD GLN A 18 -26.189 -6.779 -8.746 1.00 0.00 C ATOM 226 OE1 GLN A 18 -25.870 -6.305 -9.836 1.00 0.00 O ATOM 227 NE2 GLN A 18 -26.625 -6.030 -7.740 1.00 0.00 N ATOM 0 H GLN A 18 -24.317 -11.044 -9.623 1.00 0.00 H new ATOM 0 HA GLN A 18 -23.632 -8.182 -9.820 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -24.811 -9.568 -7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -24.264 -7.904 -7.453 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -26.368 -8.808 -9.398 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -26.829 -8.548 -7.728 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -26.879 -6.465 -6.853 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -26.706 -5.020 -7.854 1.00 0.00 H new ATOM 236 N GLU A 19 -21.474 -9.724 -9.555 1.00 0.00 N ATOM 237 CA GLU A 19 -20.135 -10.151 -9.164 1.00 0.00 C ATOM 238 C GLU A 19 -19.123 -9.029 -9.377 1.00 0.00 C ATOM 239 O GLU A 19 -17.986 -9.273 -9.779 1.00 0.00 O ATOM 240 CB GLU A 19 -19.717 -11.388 -9.962 1.00 0.00 C ATOM 241 CG GLU A 19 -20.115 -12.699 -9.305 1.00 0.00 C ATOM 242 CD GLU A 19 -19.288 -13.872 -9.794 1.00 0.00 C ATOM 243 OE1 GLU A 19 -19.407 -14.224 -10.987 1.00 0.00 O ATOM 244 OE2 GLU A 19 -18.523 -14.437 -8.986 1.00 0.00 O ATOM 0 H GLU A 19 -21.606 -9.615 -10.561 1.00 0.00 H new ATOM 0 HA GLU A 19 -20.156 -10.402 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -20.165 -11.338 -10.955 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.636 -11.373 -10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -20.005 -12.607 -8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -21.169 -12.895 -9.503 1.00 0.00 H new ATOM 251 N GLU A 20 -19.546 -7.798 -9.105 1.00 0.00 N ATOM 252 CA GLU A 20 -18.677 -6.639 -9.268 1.00 0.00 C ATOM 253 C GLU A 20 -17.621 -6.591 -8.168 1.00 0.00 C ATOM 254 O GLU A 20 -17.858 -7.036 -7.045 1.00 0.00 O ATOM 255 CB GLU A 20 -19.502 -5.350 -9.255 1.00 0.00 C ATOM 256 CG GLU A 20 -20.565 -5.297 -10.339 1.00 0.00 C ATOM 257 CD GLU A 20 -19.988 -4.999 -11.709 1.00 0.00 C ATOM 258 OE1 GLU A 20 -19.305 -5.881 -12.269 1.00 0.00 O ATOM 259 OE2 GLU A 20 -20.219 -3.883 -12.221 1.00 0.00 O ATOM 0 H GLU A 20 -20.484 -7.578 -8.771 1.00 0.00 H new ATOM 0 HA GLU A 20 -18.171 -6.729 -10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -19.982 -5.246 -8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.832 -4.498 -9.373 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -21.093 -6.250 -10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -21.300 -4.533 -10.085 1.00 0.00 H new ATOM 266 N VAL A 21 -16.454 -6.048 -8.499 1.00 0.00 N ATOM 267 CA VAL A 21 -15.361 -5.941 -7.540 1.00 0.00 C ATOM 268 C VAL A 21 -15.251 -4.525 -6.988 1.00 0.00 C ATOM 269 O VAL A 21 -15.332 -3.549 -7.734 1.00 0.00 O ATOM 270 CB VAL A 21 -14.015 -6.339 -8.175 1.00 0.00 C ATOM 271 CG1 VAL A 21 -12.889 -6.221 -7.160 1.00 0.00 C ATOM 272 CG2 VAL A 21 -14.090 -7.749 -8.741 1.00 0.00 C ATOM 0 H VAL A 21 -16.241 -5.675 -9.424 1.00 0.00 H new ATOM 0 HA VAL A 21 -15.587 -6.629 -6.725 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.803 -5.654 -8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.947 -6.506 -7.627 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.823 -5.191 -6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.090 -6.881 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.131 -8.014 -9.186 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -14.325 -8.450 -7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.868 -7.794 -9.503 1.00 0.00 H new ATOM 282 N ILE A 22 -15.065 -4.419 -5.676 1.00 0.00 N ATOM 283 CA ILE A 22 -14.942 -3.122 -5.024 1.00 0.00 C ATOM 284 C ILE A 22 -13.568 -2.956 -4.384 1.00 0.00 C ATOM 285 O ILE A 22 -12.947 -3.931 -3.959 1.00 0.00 O ATOM 286 CB ILE A 22 -16.025 -2.928 -3.947 1.00 0.00 C ATOM 287 CG1 ILE A 22 -17.414 -3.183 -4.536 1.00 0.00 C ATOM 288 CG2 ILE A 22 -15.943 -1.528 -3.358 1.00 0.00 C ATOM 289 CD1 ILE A 22 -18.516 -3.205 -3.501 1.00 0.00 C ATOM 0 H ILE A 22 -14.996 -5.217 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.073 -2.366 -5.799 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.852 -3.648 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.634 -2.411 -5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.406 -4.136 -5.066 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.715 -1.407 -2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.962 -1.381 -2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.092 -0.792 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -19.472 -3.391 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -18.320 -3.996 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.552 -2.244 -2.988 1.00 0.00 H new ATOM 301 N CYS A 23 -13.099 -1.715 -4.315 1.00 0.00 N ATOM 302 CA CYS A 23 -11.799 -1.420 -3.725 1.00 0.00 C ATOM 303 C CYS A 23 -11.864 -1.494 -2.202 1.00 0.00 C ATOM 304 O CYS A 23 -12.637 -0.789 -1.553 1.00 0.00 O ATOM 305 CB CYS A 23 -11.322 -0.032 -4.159 1.00 0.00 C ATOM 306 SG CYS A 23 -9.645 0.390 -3.586 1.00 0.00 S ATOM 0 H CYS A 23 -13.600 -0.897 -4.661 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.089 -2.168 -4.078 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.348 0.026 -5.247 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.022 0.715 -3.783 1.00 0.00 H new ATOM 311 N PRO A 24 -11.032 -2.369 -1.617 1.00 0.00 N ATOM 312 CA PRO A 24 -10.974 -2.556 -0.164 1.00 0.00 C ATOM 313 C PRO A 24 -10.370 -1.353 0.552 1.00 0.00 C ATOM 314 O PRO A 24 -10.150 -1.387 1.763 1.00 0.00 O ATOM 315 CB PRO A 24 -10.074 -3.784 0.000 1.00 0.00 C ATOM 316 CG PRO A 24 -9.226 -3.798 -1.225 1.00 0.00 C ATOM 317 CD PRO A 24 -10.083 -3.242 -2.328 1.00 0.00 C ATOM 0 HA PRO A 24 -11.966 -2.676 0.271 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.466 -3.712 0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.662 -4.698 0.085 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.329 -3.194 -1.086 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.896 -4.810 -1.460 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.491 -2.685 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.597 -4.033 -2.875 1.00 0.00 H new ATOM 325 N ILE A 25 -10.106 -0.293 -0.203 1.00 0.00 N ATOM 326 CA ILE A 25 -9.529 0.921 0.361 1.00 0.00 C ATOM 327 C ILE A 25 -10.570 2.031 0.458 1.00 0.00 C ATOM 328 O ILE A 25 -10.880 2.514 1.548 1.00 0.00 O ATOM 329 CB ILE A 25 -8.338 1.421 -0.478 1.00 0.00 C ATOM 330 CG1 ILE A 25 -7.219 0.378 -0.487 1.00 0.00 C ATOM 331 CG2 ILE A 25 -7.828 2.748 0.064 1.00 0.00 C ATOM 332 CD1 ILE A 25 -6.041 0.763 -1.354 1.00 0.00 C ATOM 0 H ILE A 25 -10.282 -0.250 -1.207 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.177 0.668 1.361 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.674 1.575 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.872 0.220 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.622 -0.572 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.986 3.088 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.627 3.489 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.505 2.619 1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.287 -0.023 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.374 0.892 -2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.612 1.697 -0.991 1.00 0.00 H new ATOM 344 N CYS A 26 -11.108 2.431 -0.689 1.00 0.00 N ATOM 345 CA CYS A 26 -12.116 3.484 -0.735 1.00 0.00 C ATOM 346 C CYS A 26 -13.522 2.890 -0.757 1.00 0.00 C ATOM 347 O CYS A 26 -14.500 3.570 -0.444 1.00 0.00 O ATOM 348 CB CYS A 26 -11.905 4.367 -1.966 1.00 0.00 C ATOM 349 SG CYS A 26 -11.757 3.443 -3.529 1.00 0.00 S ATOM 0 H CYS A 26 -10.863 2.042 -1.599 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.011 4.093 0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.739 5.065 -2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.004 4.963 -1.822 1.00 0.00 H new ATOM 354 N LEU A 27 -13.615 1.618 -1.128 1.00 0.00 N ATOM 355 CA LEU A 27 -14.900 0.931 -1.190 1.00 0.00 C ATOM 356 C LEU A 27 -15.754 1.476 -2.331 1.00 0.00 C ATOM 357 O LEU A 27 -16.946 1.734 -2.159 1.00 0.00 O ATOM 358 CB LEU A 27 -15.646 1.081 0.137 1.00 0.00 C ATOM 359 CG LEU A 27 -14.822 0.836 1.401 1.00 0.00 C ATOM 360 CD1 LEU A 27 -15.546 1.379 2.624 1.00 0.00 C ATOM 361 CD2 LEU A 27 -14.529 -0.648 1.568 1.00 0.00 C ATOM 0 H LEU A 27 -12.816 1.041 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.710 -0.126 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.060 2.088 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.489 0.390 0.137 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.874 1.364 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.944 1.196 3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.704 2.451 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.509 0.880 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.942 -0.803 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.467 -1.198 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.968 -1.007 0.705 1.00 0.00 H new ATOM 373 N ASP A 28 -15.137 1.646 -3.495 1.00 0.00 N ATOM 374 CA ASP A 28 -15.841 2.157 -4.666 1.00 0.00 C ATOM 375 C ASP A 28 -15.732 1.182 -5.834 1.00 0.00 C ATOM 376 O ASP A 28 -14.688 0.564 -6.044 1.00 0.00 O ATOM 377 CB ASP A 28 -15.280 3.521 -5.070 1.00 0.00 C ATOM 378 CG ASP A 28 -15.954 4.082 -6.306 1.00 0.00 C ATOM 379 OD1 ASP A 28 -15.504 3.760 -7.425 1.00 0.00 O ATOM 380 OD2 ASP A 28 -16.933 4.844 -6.155 1.00 0.00 O ATOM 0 H ASP A 28 -14.151 1.438 -3.653 1.00 0.00 H new ATOM 0 HA ASP A 28 -16.894 2.268 -4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.404 4.221 -4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.209 3.430 -5.253 1.00 0.00 H new ATOM 385 N ILE A 29 -16.817 1.049 -6.590 1.00 0.00 N ATOM 386 CA ILE A 29 -16.842 0.149 -7.736 1.00 0.00 C ATOM 387 C ILE A 29 -15.533 0.213 -8.515 1.00 0.00 C ATOM 388 O ILE A 29 -15.295 1.153 -9.275 1.00 0.00 O ATOM 389 CB ILE A 29 -18.009 0.480 -8.686 1.00 0.00 C ATOM 390 CG1 ILE A 29 -19.344 0.362 -7.949 1.00 0.00 C ATOM 391 CG2 ILE A 29 -17.982 -0.439 -9.898 1.00 0.00 C ATOM 392 CD1 ILE A 29 -20.505 0.974 -8.701 1.00 0.00 C ATOM 0 H ILE A 29 -17.689 1.553 -6.429 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.978 -0.858 -7.343 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.897 1.508 -9.032 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -19.556 -0.691 -7.764 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -19.257 0.845 -6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.812 -0.193 -10.560 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -17.041 -0.309 -10.433 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -18.073 -1.475 -9.571 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -21.419 0.854 -8.120 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -20.315 2.035 -8.863 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -20.619 0.475 -9.663 1.00 0.00 H new ATOM 404 N LEU A 30 -14.687 -0.793 -8.323 1.00 0.00 N ATOM 405 CA LEU A 30 -13.401 -0.852 -9.009 1.00 0.00 C ATOM 406 C LEU A 30 -13.592 -0.894 -10.521 1.00 0.00 C ATOM 407 O LEU A 30 -13.803 -1.960 -11.100 1.00 0.00 O ATOM 408 CB LEU A 30 -12.612 -2.079 -8.549 1.00 0.00 C ATOM 409 CG LEU A 30 -11.700 -1.876 -7.338 1.00 0.00 C ATOM 410 CD1 LEU A 30 -11.403 -3.206 -6.663 1.00 0.00 C ATOM 411 CD2 LEU A 30 -10.409 -1.186 -7.752 1.00 0.00 C ATOM 0 H LEU A 30 -14.868 -1.579 -7.698 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.841 0.048 -8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -13.320 -2.875 -8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.003 -2.428 -9.383 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.217 -1.237 -6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.753 -3.041 -5.804 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.336 -3.661 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.907 -3.870 -7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.773 -1.050 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.889 -1.799 -8.488 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.640 -0.214 -8.188 1.00 0.00 H new ATOM 423 N GLN A 31 -13.515 0.271 -11.155 1.00 0.00 N ATOM 424 CA GLN A 31 -13.678 0.366 -12.601 1.00 0.00 C ATOM 425 C GLN A 31 -12.482 -0.244 -13.325 1.00 0.00 C ATOM 426 O GLN A 31 -12.639 -0.934 -14.333 1.00 0.00 O ATOM 427 CB GLN A 31 -13.852 1.827 -13.021 1.00 0.00 C ATOM 428 CG GLN A 31 -12.692 2.720 -12.613 1.00 0.00 C ATOM 429 CD GLN A 31 -12.839 4.139 -13.127 1.00 0.00 C ATOM 430 OE1 GLN A 31 -13.888 4.517 -13.648 1.00 0.00 O ATOM 431 NE2 GLN A 31 -11.785 4.933 -12.982 1.00 0.00 N ATOM 0 H GLN A 31 -13.341 1.162 -10.691 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.571 -0.194 -12.878 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.972 1.873 -14.103 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.771 2.216 -12.582 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.617 2.737 -11.526 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.762 2.296 -12.990 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.935 4.578 -12.544 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.825 5.898 -13.309 1.00 0.00 H new ATOM 440 N LYS A 32 -11.287 0.015 -12.806 1.00 0.00 N ATOM 441 CA LYS A 32 -10.064 -0.508 -13.401 1.00 0.00 C ATOM 442 C LYS A 32 -9.211 -1.221 -12.356 1.00 0.00 C ATOM 443 O LYS A 32 -8.319 -0.634 -11.743 1.00 0.00 O ATOM 444 CB LYS A 32 -9.260 0.624 -14.044 1.00 0.00 C ATOM 445 CG LYS A 32 -9.762 1.020 -15.422 1.00 0.00 C ATOM 446 CD LYS A 32 -9.012 2.225 -15.964 1.00 0.00 C ATOM 447 CE LYS A 32 -9.618 3.529 -15.467 1.00 0.00 C ATOM 448 NZ LYS A 32 -10.954 3.785 -16.073 1.00 0.00 N ATOM 0 H LYS A 32 -11.140 0.585 -11.973 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.344 -1.229 -14.169 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.290 1.496 -13.391 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.216 0.319 -14.120 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.647 0.180 -16.107 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.827 1.246 -15.371 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.966 2.170 -15.662 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.030 2.206 -17.054 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.712 3.496 -14.382 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.947 4.355 -15.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.191 4.793 -15.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.933 3.528 -17.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.672 3.213 -15.584 1.00 0.00 H new ATOM 462 N PRO A 33 -9.490 -2.516 -12.147 1.00 0.00 N ATOM 463 CA PRO A 33 -8.759 -3.337 -11.177 1.00 0.00 C ATOM 464 C PRO A 33 -7.325 -3.615 -11.617 1.00 0.00 C ATOM 465 O PRO A 33 -7.092 -4.336 -12.587 1.00 0.00 O ATOM 466 CB PRO A 33 -9.566 -4.636 -11.132 1.00 0.00 C ATOM 467 CG PRO A 33 -10.251 -4.703 -12.453 1.00 0.00 C ATOM 468 CD PRO A 33 -10.540 -3.279 -12.841 1.00 0.00 C ATOM 0 HA PRO A 33 -8.669 -2.842 -10.210 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.918 -5.499 -10.978 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.285 -4.627 -10.313 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.619 -5.190 -13.196 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.171 -5.284 -12.387 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.491 -3.139 -13.921 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.536 -2.971 -12.524 1.00 0.00 H new ATOM 476 N VAL A 34 -6.368 -3.038 -10.898 1.00 0.00 N ATOM 477 CA VAL A 34 -4.957 -3.226 -11.214 1.00 0.00 C ATOM 478 C VAL A 34 -4.302 -4.205 -10.246 1.00 0.00 C ATOM 479 O VAL A 34 -4.306 -3.992 -9.033 1.00 0.00 O ATOM 480 CB VAL A 34 -4.190 -1.890 -11.173 1.00 0.00 C ATOM 481 CG1 VAL A 34 -2.714 -2.112 -11.465 1.00 0.00 C ATOM 482 CG2 VAL A 34 -4.793 -0.900 -12.158 1.00 0.00 C ATOM 0 H VAL A 34 -6.544 -2.437 -10.093 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.911 -3.633 -12.224 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.278 -1.471 -10.171 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.189 -1.157 -11.432 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.292 -2.784 -10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.601 -2.554 -12.455 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.239 0.038 -12.116 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.737 -1.310 -13.166 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.836 -0.718 -11.898 1.00 0.00 H new ATOM 492 N THR A 35 -3.739 -5.279 -10.790 1.00 0.00 N ATOM 493 CA THR A 35 -3.080 -6.292 -9.974 1.00 0.00 C ATOM 494 C THR A 35 -1.594 -5.991 -9.818 1.00 0.00 C ATOM 495 O THR A 35 -0.896 -5.735 -10.800 1.00 0.00 O ATOM 496 CB THR A 35 -3.247 -7.697 -10.582 1.00 0.00 C ATOM 497 OG1 THR A 35 -4.636 -7.985 -10.777 1.00 0.00 O ATOM 498 CG2 THR A 35 -2.626 -8.754 -9.680 1.00 0.00 C ATOM 0 H THR A 35 -3.726 -5.470 -11.792 1.00 0.00 H new ATOM 0 HA THR A 35 -3.557 -6.269 -8.994 1.00 0.00 H new ATOM 0 HB THR A 35 -2.734 -7.716 -11.544 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.174 -7.420 -10.183 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.756 -9.738 -10.130 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.563 -8.549 -9.558 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.114 -8.733 -8.706 1.00 0.00 H new ATOM 506 N ILE A 36 -1.115 -6.024 -8.579 1.00 0.00 N ATOM 507 CA ILE A 36 0.289 -5.757 -8.296 1.00 0.00 C ATOM 508 C ILE A 36 1.052 -7.050 -8.027 1.00 0.00 C ATOM 509 O ILE A 36 0.488 -8.142 -8.102 1.00 0.00 O ATOM 510 CB ILE A 36 0.451 -4.818 -7.085 1.00 0.00 C ATOM 511 CG1 ILE A 36 -0.333 -5.357 -5.887 1.00 0.00 C ATOM 512 CG2 ILE A 36 -0.013 -3.413 -7.439 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.238 -4.479 -4.659 1.00 0.00 C ATOM 0 H ILE A 36 -1.679 -6.233 -7.755 1.00 0.00 H new ATOM 0 HA ILE A 36 0.702 -5.271 -9.180 1.00 0.00 H new ATOM 0 HB ILE A 36 1.506 -4.774 -6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.381 -5.464 -6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.034 -6.353 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.107 -2.761 -6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.584 -3.031 -8.267 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.063 -3.439 -7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.818 -4.922 -3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.805 -4.392 -4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.633 -3.489 -4.888 1.00 0.00 H new ATOM 525 N ASP A 37 2.336 -6.918 -7.713 1.00 0.00 N ATOM 526 CA ASP A 37 3.176 -8.076 -7.430 1.00 0.00 C ATOM 527 C ASP A 37 2.513 -8.992 -6.406 1.00 0.00 C ATOM 528 O ASP A 37 2.514 -10.214 -6.558 1.00 0.00 O ATOM 529 CB ASP A 37 4.546 -7.626 -6.919 1.00 0.00 C ATOM 530 CG ASP A 37 5.637 -8.632 -7.226 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.703 -9.102 -8.381 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.425 -8.951 -6.311 1.00 0.00 O ATOM 0 H ASP A 37 2.818 -6.021 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 37 3.308 -8.634 -8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.802 -6.668 -7.370 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.495 -7.467 -5.842 1.00 0.00 H new ATOM 537 N CYS A 38 1.947 -8.393 -5.363 1.00 0.00 N ATOM 538 CA CYS A 38 1.282 -9.154 -4.313 1.00 0.00 C ATOM 539 C CYS A 38 0.059 -9.884 -4.862 1.00 0.00 C ATOM 540 O CYS A 38 -0.319 -10.944 -4.364 1.00 0.00 O ATOM 541 CB CYS A 38 0.865 -8.227 -3.169 1.00 0.00 C ATOM 542 SG CYS A 38 -0.803 -7.519 -3.357 1.00 0.00 S ATOM 0 H CYS A 38 1.936 -7.383 -5.223 1.00 0.00 H new ATOM 0 HA CYS A 38 1.986 -9.895 -3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.909 -8.781 -2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.587 -7.414 -3.093 1.00 0.00 H new ATOM 547 N GLY A 39 -0.554 -9.309 -5.892 1.00 0.00 N ATOM 548 CA GLY A 39 -1.727 -9.919 -6.492 1.00 0.00 C ATOM 549 C GLY A 39 -2.992 -9.127 -6.225 1.00 0.00 C ATOM 550 O GLY A 39 -3.755 -8.833 -7.147 1.00 0.00 O ATOM 0 H GLY A 39 -0.260 -8.432 -6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.577 -10.007 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.846 -10.930 -6.103 1.00 0.00 H new ATOM 554 N HIS A 40 -3.217 -8.781 -4.962 1.00 0.00 N ATOM 555 CA HIS A 40 -4.400 -8.020 -4.577 1.00 0.00 C ATOM 556 C HIS A 40 -4.757 -6.992 -5.647 1.00 0.00 C ATOM 557 O HIS A 40 -3.879 -6.449 -6.316 1.00 0.00 O ATOM 558 CB HIS A 40 -4.168 -7.319 -3.238 1.00 0.00 C ATOM 559 CG HIS A 40 -3.987 -8.265 -2.090 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.350 -7.914 -0.919 1.00 0.00 N ATOM 561 CD2 HIS A 40 -4.366 -9.555 -1.939 1.00 0.00 C ATOM 562 CE1 HIS A 40 -3.344 -8.948 -0.097 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.954 -9.957 -0.692 1.00 0.00 N ATOM 0 H HIS A 40 -2.596 -9.015 -4.188 1.00 0.00 H new ATOM 0 HA HIS A 40 -5.232 -8.717 -4.475 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.286 -6.684 -3.318 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -5.014 -6.664 -3.029 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.894 -10.157 -2.664 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.913 -8.965 0.893 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -4.096 -10.884 -0.291 1.00 0.00 H new ATOM 571 N ASN A 41 -6.051 -6.732 -5.802 1.00 0.00 N ATOM 572 CA ASN A 41 -6.523 -5.771 -6.792 1.00 0.00 C ATOM 573 C ASN A 41 -6.934 -4.461 -6.126 1.00 0.00 C ATOM 574 O ASN A 41 -7.704 -4.456 -5.165 1.00 0.00 O ATOM 575 CB ASN A 41 -7.704 -6.351 -7.574 1.00 0.00 C ATOM 576 CG ASN A 41 -7.272 -7.400 -8.580 1.00 0.00 C ATOM 577 OD1 ASN A 41 -7.017 -7.092 -9.744 1.00 0.00 O ATOM 578 ND2 ASN A 41 -7.187 -8.648 -8.133 1.00 0.00 N ATOM 0 H ASN A 41 -6.791 -7.173 -5.255 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.704 -5.566 -7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.416 -6.792 -6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.223 -5.545 -8.093 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.901 -9.397 -8.763 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.408 -8.857 -7.159 1.00 0.00 H new ATOM 585 N PHE A 42 -6.417 -3.352 -6.643 1.00 0.00 N ATOM 586 CA PHE A 42 -6.729 -2.036 -6.099 1.00 0.00 C ATOM 587 C PHE A 42 -7.200 -1.090 -7.199 1.00 0.00 C ATOM 588 O PHE A 42 -7.152 -1.424 -8.384 1.00 0.00 O ATOM 589 CB PHE A 42 -5.504 -1.448 -5.395 1.00 0.00 C ATOM 590 CG PHE A 42 -5.113 -2.193 -4.150 1.00 0.00 C ATOM 591 CD1 PHE A 42 -5.932 -2.178 -3.032 1.00 0.00 C ATOM 592 CD2 PHE A 42 -3.927 -2.907 -4.098 1.00 0.00 C ATOM 593 CE1 PHE A 42 -5.575 -2.863 -1.885 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.565 -3.593 -2.954 1.00 0.00 C ATOM 595 CZ PHE A 42 -4.390 -3.570 -1.846 1.00 0.00 C ATOM 0 H PHE A 42 -5.779 -3.338 -7.439 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.535 -2.152 -5.375 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.662 -1.447 -6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.707 -0.408 -5.138 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.859 -1.625 -3.057 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.278 -2.928 -4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.222 -2.845 -1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.638 -4.147 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.108 -4.104 -0.951 1.00 0.00 H new ATOM 605 N CYS A 43 -7.656 0.092 -6.800 1.00 0.00 N ATOM 606 CA CYS A 43 -8.137 1.088 -7.750 1.00 0.00 C ATOM 607 C CYS A 43 -7.101 2.189 -7.955 1.00 0.00 C ATOM 608 O CYS A 43 -6.487 2.665 -7.000 1.00 0.00 O ATOM 609 CB CYS A 43 -9.453 1.696 -7.261 1.00 0.00 C ATOM 610 SG CYS A 43 -9.247 3.173 -6.215 1.00 0.00 S ATOM 0 H CYS A 43 -7.703 0.384 -5.824 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.307 0.591 -8.705 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.063 1.958 -8.125 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.003 0.941 -6.700 1.00 0.00 H new ATOM 615 N LEU A 44 -6.912 2.590 -9.208 1.00 0.00 N ATOM 616 CA LEU A 44 -5.951 3.635 -9.540 1.00 0.00 C ATOM 617 C LEU A 44 -6.031 4.786 -8.541 1.00 0.00 C ATOM 618 O LEU A 44 -5.068 5.072 -7.829 1.00 0.00 O ATOM 619 CB LEU A 44 -6.203 4.156 -10.956 1.00 0.00 C ATOM 620 CG LEU A 44 -5.320 5.319 -11.410 1.00 0.00 C ATOM 621 CD1 LEU A 44 -3.947 4.816 -11.825 1.00 0.00 C ATOM 622 CD2 LEU A 44 -5.981 6.075 -12.554 1.00 0.00 C ATOM 0 H LEU A 44 -7.412 2.207 -10.010 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.951 3.204 -9.491 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.069 3.330 -11.655 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.245 4.468 -11.027 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.195 6.004 -10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.333 5.658 -12.145 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.471 4.320 -10.980 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.052 4.110 -12.648 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.339 6.899 -12.864 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.136 5.399 -13.395 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.942 6.469 -12.223 1.00 0.00 H new ATOM 634 N LYS A 45 -7.185 5.441 -8.492 1.00 0.00 N ATOM 635 CA LYS A 45 -7.394 6.558 -7.578 1.00 0.00 C ATOM 636 C LYS A 45 -6.696 6.308 -6.245 1.00 0.00 C ATOM 637 O LYS A 45 -6.211 7.239 -5.602 1.00 0.00 O ATOM 638 CB LYS A 45 -8.890 6.783 -7.348 1.00 0.00 C ATOM 639 CG LYS A 45 -9.694 6.885 -8.633 1.00 0.00 C ATOM 640 CD LYS A 45 -10.988 7.653 -8.421 1.00 0.00 C ATOM 641 CE LYS A 45 -12.106 6.740 -7.943 1.00 0.00 C ATOM 642 NZ LYS A 45 -13.370 7.490 -7.704 1.00 0.00 N ATOM 0 H LYS A 45 -7.991 5.218 -9.075 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.964 7.451 -8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.284 5.964 -6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.027 7.697 -6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.097 7.380 -9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.920 5.885 -9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.826 8.445 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.283 8.134 -9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.281 5.961 -8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.800 6.242 -7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.108 6.833 -7.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.210 8.217 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.676 7.945 -8.588 1.00 0.00 H new ATOM 656 N CYS A 46 -6.647 5.044 -5.836 1.00 0.00 N ATOM 657 CA CYS A 46 -6.007 4.671 -4.580 1.00 0.00 C ATOM 658 C CYS A 46 -4.518 4.409 -4.785 1.00 0.00 C ATOM 659 O CYS A 46 -3.674 5.195 -4.354 1.00 0.00 O ATOM 660 CB CYS A 46 -6.679 3.428 -3.992 1.00 0.00 C ATOM 661 SG CYS A 46 -8.034 3.795 -2.831 1.00 0.00 S ATOM 0 H CYS A 46 -7.043 4.261 -6.356 1.00 0.00 H new ATOM 0 HA CYS A 46 -6.119 5.501 -3.883 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -7.068 2.818 -4.807 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.926 2.830 -3.478 1.00 0.00 H new ATOM 666 N ILE A 47 -4.204 3.299 -5.445 1.00 0.00 N ATOM 667 CA ILE A 47 -2.817 2.934 -5.708 1.00 0.00 C ATOM 668 C ILE A 47 -1.964 4.171 -5.972 1.00 0.00 C ATOM 669 O ILE A 47 -0.780 4.206 -5.634 1.00 0.00 O ATOM 670 CB ILE A 47 -2.705 1.981 -6.912 1.00 0.00 C ATOM 671 CG1 ILE A 47 -3.437 0.669 -6.622 1.00 0.00 C ATOM 672 CG2 ILE A 47 -1.244 1.716 -7.243 1.00 0.00 C ATOM 673 CD1 ILE A 47 -3.552 -0.238 -7.827 1.00 0.00 C ATOM 0 H ILE A 47 -4.891 2.637 -5.807 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.450 2.425 -4.817 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.174 2.453 -7.775 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.913 0.138 -5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.437 0.895 -6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.181 1.041 -8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.750 2.656 -7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.753 1.261 -6.383 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.082 -1.149 -7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.102 0.274 -8.617 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.555 -0.494 -8.186 1.00 0.00 H new ATOM 685 N THR A 48 -2.574 5.186 -6.577 1.00 0.00 N ATOM 686 CA THR A 48 -1.871 6.425 -6.885 1.00 0.00 C ATOM 687 C THR A 48 -1.806 7.338 -5.666 1.00 0.00 C ATOM 688 O THR A 48 -0.753 7.892 -5.351 1.00 0.00 O ATOM 689 CB THR A 48 -2.548 7.181 -8.044 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.686 6.318 -9.178 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.742 8.412 -8.431 1.00 0.00 C ATOM 0 H THR A 48 -3.553 5.174 -6.863 1.00 0.00 H new ATOM 0 HA THR A 48 -0.859 6.149 -7.183 1.00 0.00 H new ATOM 0 HB THR A 48 -3.535 7.503 -7.711 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.451 5.721 -9.043 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.239 8.930 -9.251 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.665 9.081 -7.574 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.743 8.109 -8.746 1.00 0.00 H new ATOM 699 N GLN A 49 -2.937 7.490 -4.985 1.00 0.00 N ATOM 700 CA GLN A 49 -3.006 8.337 -3.801 1.00 0.00 C ATOM 701 C GLN A 49 -1.950 7.931 -2.778 1.00 0.00 C ATOM 702 O GLN A 49 -1.179 8.765 -2.304 1.00 0.00 O ATOM 703 CB GLN A 49 -4.399 8.258 -3.172 1.00 0.00 C ATOM 704 CG GLN A 49 -4.720 9.426 -2.254 1.00 0.00 C ATOM 705 CD GLN A 49 -5.108 10.678 -3.017 1.00 0.00 C ATOM 706 OE1 GLN A 49 -6.065 10.675 -3.791 1.00 0.00 O ATOM 707 NE2 GLN A 49 -4.364 11.757 -2.801 1.00 0.00 N ATOM 0 H GLN A 49 -3.817 7.038 -5.233 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.811 9.364 -4.109 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.145 8.215 -3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.481 7.330 -2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.534 9.145 -1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.854 9.640 -1.628 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.580 11.714 -2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.577 12.629 -3.286 1.00 0.00 H new ATOM 716 N ILE A 50 -1.922 6.645 -2.443 1.00 0.00 N ATOM 717 CA ILE A 50 -0.960 6.129 -1.477 1.00 0.00 C ATOM 718 C ILE A 50 0.412 6.767 -1.673 1.00 0.00 C ATOM 719 O ILE A 50 1.095 7.103 -0.708 1.00 0.00 O ATOM 720 CB ILE A 50 -0.822 4.599 -1.583 1.00 0.00 C ATOM 721 CG1 ILE A 50 -2.154 3.921 -1.253 1.00 0.00 C ATOM 722 CG2 ILE A 50 0.276 4.101 -0.655 1.00 0.00 C ATOM 723 CD1 ILE A 50 -2.268 2.516 -1.799 1.00 0.00 C ATOM 0 H ILE A 50 -2.554 5.942 -2.826 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.339 6.384 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.549 4.343 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.280 3.893 -0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.969 4.525 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.362 3.018 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.224 4.563 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.030 4.365 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.237 2.097 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.174 2.539 -2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.475 1.897 -1.379 1.00 0.00 H new ATOM 735 N GLY A 51 0.807 6.931 -2.932 1.00 0.00 N ATOM 736 CA GLY A 51 2.095 7.530 -3.233 1.00 0.00 C ATOM 737 C GLY A 51 1.964 8.915 -3.835 1.00 0.00 C ATOM 738 O GLY A 51 2.451 9.167 -4.937 1.00 0.00 O ATOM 0 H GLY A 51 0.259 6.660 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.687 7.589 -2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.639 6.887 -3.925 1.00 0.00 H new ATOM 742 N GLU A 52 1.304 9.813 -3.112 1.00 0.00 N ATOM 743 CA GLU A 52 1.108 11.179 -3.584 1.00 0.00 C ATOM 744 C GLU A 52 2.318 11.656 -4.383 1.00 0.00 C ATOM 745 O GLU A 52 2.182 12.140 -5.507 1.00 0.00 O ATOM 746 CB GLU A 52 0.860 12.120 -2.403 1.00 0.00 C ATOM 747 CG GLU A 52 -0.012 13.314 -2.749 1.00 0.00 C ATOM 748 CD GLU A 52 0.239 14.503 -1.842 1.00 0.00 C ATOM 749 OE1 GLU A 52 1.345 14.586 -1.267 1.00 0.00 O ATOM 750 OE2 GLU A 52 -0.669 15.349 -1.707 1.00 0.00 O ATOM 0 H GLU A 52 0.896 9.620 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 52 0.235 11.189 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.390 11.559 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.818 12.478 -2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.172 13.606 -3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.061 13.025 -2.681 1.00 0.00 H new ATOM 757 N THR A 53 3.501 11.517 -3.794 1.00 0.00 N ATOM 758 CA THR A 53 4.735 11.935 -4.449 1.00 0.00 C ATOM 759 C THR A 53 5.633 10.739 -4.744 1.00 0.00 C ATOM 760 O THR A 53 5.952 10.461 -5.900 1.00 0.00 O ATOM 761 CB THR A 53 5.513 12.947 -3.587 1.00 0.00 C ATOM 762 OG1 THR A 53 4.715 14.113 -3.360 1.00 0.00 O ATOM 763 CG2 THR A 53 6.818 13.342 -4.263 1.00 0.00 C ATOM 0 H THR A 53 3.631 11.118 -2.864 1.00 0.00 H new ATOM 0 HA THR A 53 4.450 12.411 -5.387 1.00 0.00 H new ATOM 0 HB THR A 53 5.745 12.475 -2.632 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.216 14.750 -2.810 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.350 14.057 -3.636 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.436 12.456 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.604 13.796 -5.230 1.00 0.00 H new ATOM 771 N SER A 54 6.037 10.034 -3.692 1.00 0.00 N ATOM 772 CA SER A 54 6.902 8.869 -3.839 1.00 0.00 C ATOM 773 C SER A 54 6.477 8.026 -5.038 1.00 0.00 C ATOM 774 O SER A 54 5.354 7.522 -5.090 1.00 0.00 O ATOM 775 CB SER A 54 6.870 8.020 -2.567 1.00 0.00 C ATOM 776 OG SER A 54 7.831 8.472 -1.628 1.00 0.00 O ATOM 0 H SER A 54 5.779 10.249 -2.729 1.00 0.00 H new ATOM 0 HA SER A 54 7.920 9.221 -4.006 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.875 8.062 -2.123 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.064 6.977 -2.817 1.00 0.00 H new ATOM 0 HG SER A 54 7.789 7.914 -0.823 1.00 0.00 H new ATOM 782 N CYS A 55 7.383 7.876 -5.998 1.00 0.00 N ATOM 783 CA CYS A 55 7.103 7.094 -7.197 1.00 0.00 C ATOM 784 C CYS A 55 8.267 6.163 -7.523 1.00 0.00 C ATOM 785 O CYS A 55 9.324 6.607 -7.969 1.00 0.00 O ATOM 786 CB CYS A 55 6.829 8.020 -8.383 1.00 0.00 C ATOM 787 SG CYS A 55 5.171 8.742 -8.387 1.00 0.00 S ATOM 0 H CYS A 55 8.317 8.285 -5.970 1.00 0.00 H new ATOM 0 HA CYS A 55 6.218 6.487 -7.006 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.564 8.825 -8.380 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.973 7.461 -9.308 1.00 0.00 H new ATOM 0 HG CYS A 55 5.066 9.594 -7.411 1.00 0.00 H new ATOM 793 N GLY A 56 8.064 4.869 -7.294 1.00 0.00 N ATOM 794 CA GLY A 56 9.106 3.896 -7.567 1.00 0.00 C ATOM 795 C GLY A 56 8.813 2.544 -6.947 1.00 0.00 C ATOM 796 O GLY A 56 8.714 1.538 -7.651 1.00 0.00 O ATOM 0 H GLY A 56 7.198 4.477 -6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.218 3.781 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.056 4.269 -7.185 1.00 0.00 H new ATOM 800 N PHE A 57 8.675 2.518 -5.626 1.00 0.00 N ATOM 801 CA PHE A 57 8.395 1.278 -4.910 1.00 0.00 C ATOM 802 C PHE A 57 7.461 1.531 -3.731 1.00 0.00 C ATOM 803 O PHE A 57 7.771 2.317 -2.835 1.00 0.00 O ATOM 804 CB PHE A 57 9.697 0.643 -4.418 1.00 0.00 C ATOM 805 CG PHE A 57 10.204 1.234 -3.134 1.00 0.00 C ATOM 806 CD1 PHE A 57 10.771 2.498 -3.114 1.00 0.00 C ATOM 807 CD2 PHE A 57 10.113 0.525 -1.946 1.00 0.00 C ATOM 808 CE1 PHE A 57 11.238 3.045 -1.933 1.00 0.00 C ATOM 809 CE2 PHE A 57 10.579 1.067 -0.763 1.00 0.00 C ATOM 810 CZ PHE A 57 11.143 2.328 -0.757 1.00 0.00 C ATOM 0 H PHE A 57 8.752 3.341 -5.029 1.00 0.00 H new ATOM 0 HA PHE A 57 7.903 0.592 -5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.540 -0.427 -4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.461 0.756 -5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.849 3.063 -4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 57 9.673 -0.461 -1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.677 4.032 -1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.502 0.505 0.156 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.509 2.752 0.166 1.00 0.00 H new ATOM 820 N PHE A 58 6.314 0.859 -3.737 1.00 0.00 N ATOM 821 CA PHE A 58 5.333 1.010 -2.669 1.00 0.00 C ATOM 822 C PHE A 58 4.771 -0.345 -2.250 1.00 0.00 C ATOM 823 O PHE A 58 4.285 -1.112 -3.082 1.00 0.00 O ATOM 824 CB PHE A 58 4.196 1.930 -3.119 1.00 0.00 C ATOM 825 CG PHE A 58 3.287 1.305 -4.138 1.00 0.00 C ATOM 826 CD1 PHE A 58 3.726 1.085 -5.434 1.00 0.00 C ATOM 827 CD2 PHE A 58 1.994 0.938 -3.801 1.00 0.00 C ATOM 828 CE1 PHE A 58 2.892 0.510 -6.375 1.00 0.00 C ATOM 829 CE2 PHE A 58 1.157 0.362 -4.737 1.00 0.00 C ATOM 830 CZ PHE A 58 1.606 0.149 -6.026 1.00 0.00 C ATOM 0 H PHE A 58 6.041 0.204 -4.470 1.00 0.00 H new ATOM 0 HA PHE A 58 5.834 1.456 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.608 2.220 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.621 2.843 -3.535 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.731 1.366 -5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.637 1.104 -2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.246 0.344 -7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.152 0.078 -4.461 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.952 -0.299 -6.759 1.00 0.00 H new ATOM 840 N LYS A 59 4.841 -0.633 -0.955 1.00 0.00 N ATOM 841 CA LYS A 59 4.339 -1.895 -0.423 1.00 0.00 C ATOM 842 C LYS A 59 2.814 -1.899 -0.382 1.00 0.00 C ATOM 843 O LYS A 59 2.184 -0.853 -0.230 1.00 0.00 O ATOM 844 CB LYS A 59 4.898 -2.139 0.980 1.00 0.00 C ATOM 845 CG LYS A 59 4.225 -1.306 2.057 1.00 0.00 C ATOM 846 CD LYS A 59 4.915 0.036 2.237 1.00 0.00 C ATOM 847 CE LYS A 59 4.413 0.759 3.477 1.00 0.00 C ATOM 848 NZ LYS A 59 5.462 1.631 4.074 1.00 0.00 N ATOM 0 H LYS A 59 5.241 -0.009 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 59 4.670 -2.697 -1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.788 -3.195 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.966 -1.922 0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.179 -1.146 1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.237 -1.852 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.992 -0.115 2.313 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.742 0.656 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.543 1.363 3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.085 0.028 4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.080 2.106 4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.282 1.052 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.757 2.345 3.378 1.00 0.00 H new ATOM 862 N CYS A 60 2.227 -3.084 -0.517 1.00 0.00 N ATOM 863 CA CYS A 60 0.776 -3.225 -0.494 1.00 0.00 C ATOM 864 C CYS A 60 0.231 -3.011 0.915 1.00 0.00 C ATOM 865 O CYS A 60 0.793 -3.483 1.904 1.00 0.00 O ATOM 866 CB CYS A 60 0.369 -4.609 -1.005 1.00 0.00 C ATOM 867 SG CYS A 60 -1.399 -4.991 -0.791 1.00 0.00 S ATOM 0 H CYS A 60 2.734 -3.960 -0.643 1.00 0.00 H new ATOM 0 HA CYS A 60 0.352 -2.464 -1.149 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.620 -4.682 -2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.958 -5.364 -0.485 1.00 0.00 H new ATOM 872 N PRO A 61 -0.891 -2.282 1.011 1.00 0.00 N ATOM 873 CA PRO A 61 -1.538 -1.989 2.294 1.00 0.00 C ATOM 874 C PRO A 61 -2.172 -3.227 2.920 1.00 0.00 C ATOM 875 O PRO A 61 -2.109 -3.422 4.134 1.00 0.00 O ATOM 876 CB PRO A 61 -2.615 -0.967 1.923 1.00 0.00 C ATOM 877 CG PRO A 61 -2.911 -1.233 0.487 1.00 0.00 C ATOM 878 CD PRO A 61 -1.616 -1.689 -0.125 1.00 0.00 C ATOM 0 HA PRO A 61 -0.826 -1.628 3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.505 -1.089 2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.261 0.053 2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.682 -1.996 0.382 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.282 -0.335 -0.008 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.781 -2.416 -0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.064 -0.858 -0.564 1.00 0.00 H new ATOM 886 N LEU A 62 -2.781 -4.061 2.084 1.00 0.00 N ATOM 887 CA LEU A 62 -3.426 -5.281 2.556 1.00 0.00 C ATOM 888 C LEU A 62 -2.395 -6.270 3.090 1.00 0.00 C ATOM 889 O LEU A 62 -2.617 -6.925 4.110 1.00 0.00 O ATOM 890 CB LEU A 62 -4.230 -5.926 1.425 1.00 0.00 C ATOM 891 CG LEU A 62 -5.556 -5.251 1.075 1.00 0.00 C ATOM 892 CD1 LEU A 62 -6.190 -5.916 -0.137 1.00 0.00 C ATOM 893 CD2 LEU A 62 -6.505 -5.289 2.264 1.00 0.00 C ATOM 0 H LEU A 62 -2.842 -3.915 1.076 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.102 -5.015 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.608 -5.946 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.433 -6.962 1.696 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.356 -4.208 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.133 -5.422 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.516 -5.835 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.376 -6.968 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.444 -4.804 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.698 -6.325 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.054 -4.765 3.107 1.00 0.00 H new ATOM 905 N CYS A 63 -1.266 -6.373 2.397 1.00 0.00 N ATOM 906 CA CYS A 63 -0.199 -7.281 2.802 1.00 0.00 C ATOM 907 C CYS A 63 1.166 -6.613 2.660 1.00 0.00 C ATOM 908 O CYS A 63 1.641 -6.377 1.549 1.00 0.00 O ATOM 909 CB CYS A 63 -0.244 -8.560 1.964 1.00 0.00 C ATOM 910 SG CYS A 63 0.118 -8.303 0.197 1.00 0.00 S ATOM 0 H CYS A 63 -1.066 -5.839 1.552 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.351 -7.537 3.851 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.472 -9.274 2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.232 -9.010 2.060 1.00 0.00 H new ATOM 915 N LYS A 64 1.791 -6.312 3.793 1.00 0.00 N ATOM 916 CA LYS A 64 3.102 -5.674 3.797 1.00 0.00 C ATOM 917 C LYS A 64 4.105 -6.484 2.982 1.00 0.00 C ATOM 918 O LYS A 64 4.781 -7.367 3.509 1.00 0.00 O ATOM 919 CB LYS A 64 3.609 -5.511 5.232 1.00 0.00 C ATOM 920 CG LYS A 64 2.718 -4.635 6.096 1.00 0.00 C ATOM 921 CD LYS A 64 2.779 -3.180 5.663 1.00 0.00 C ATOM 922 CE LYS A 64 4.013 -2.484 6.218 1.00 0.00 C ATOM 923 NZ LYS A 64 3.750 -1.866 7.547 1.00 0.00 N ATOM 0 H LYS A 64 1.411 -6.500 4.721 1.00 0.00 H new ATOM 0 HA LYS A 64 3.000 -4.690 3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.693 -6.495 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.611 -5.083 5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.689 -4.990 6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.025 -4.719 7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.787 -3.123 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.883 -2.660 6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.827 -3.204 6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.342 -1.715 5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.615 -1.402 7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.991 -1.161 7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.461 -2.603 8.221 1.00 0.00 H new ATOM 937 N THR A 65 4.197 -6.177 1.691 1.00 0.00 N ATOM 938 CA THR A 65 5.117 -6.876 0.803 1.00 0.00 C ATOM 939 C THR A 65 6.249 -5.960 0.352 1.00 0.00 C ATOM 940 O THR A 65 6.049 -4.762 0.153 1.00 0.00 O ATOM 941 CB THR A 65 4.391 -7.425 -0.439 1.00 0.00 C ATOM 942 OG1 THR A 65 3.290 -8.249 -0.039 1.00 0.00 O ATOM 943 CG2 THR A 65 5.342 -8.230 -1.311 1.00 0.00 C ATOM 0 H THR A 65 3.645 -5.449 1.238 1.00 0.00 H new ATOM 0 HA THR A 65 5.532 -7.709 1.370 1.00 0.00 H new ATOM 0 HB THR A 65 4.020 -6.579 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.594 -7.691 0.366 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.806 -8.607 -2.182 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.163 -7.592 -1.638 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.739 -9.068 -0.738 1.00 0.00 H new ATOM 951 N SER A 66 7.439 -6.531 0.193 1.00 0.00 N ATOM 952 CA SER A 66 8.604 -5.764 -0.232 1.00 0.00 C ATOM 953 C SER A 66 8.327 -5.038 -1.545 1.00 0.00 C ATOM 954 O SER A 66 8.378 -3.810 -1.611 1.00 0.00 O ATOM 955 CB SER A 66 9.816 -6.685 -0.390 1.00 0.00 C ATOM 956 OG SER A 66 11.023 -5.941 -0.400 1.00 0.00 O ATOM 0 H SER A 66 7.621 -7.522 0.352 1.00 0.00 H new ATOM 0 HA SER A 66 8.819 -5.020 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.837 -7.407 0.426 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.727 -7.253 -1.316 1.00 0.00 H new ATOM 0 HG SER A 66 11.783 -6.552 -0.500 1.00 0.00 H new ATOM 962 N VAL A 67 8.034 -5.807 -2.589 1.00 0.00 N ATOM 963 CA VAL A 67 7.748 -5.239 -3.901 1.00 0.00 C ATOM 964 C VAL A 67 8.637 -4.033 -4.183 1.00 0.00 C ATOM 965 O VAL A 67 8.154 -2.971 -4.574 1.00 0.00 O ATOM 966 CB VAL A 67 6.273 -4.814 -4.019 1.00 0.00 C ATOM 967 CG1 VAL A 67 5.839 -4.787 -5.477 1.00 0.00 C ATOM 968 CG2 VAL A 67 5.384 -5.745 -3.207 1.00 0.00 C ATOM 0 H VAL A 67 7.988 -6.825 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 67 7.954 -6.018 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 67 6.170 -3.807 -3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.794 -4.484 -5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.456 -4.077 -6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.956 -5.781 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.345 -5.430 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.489 -6.764 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.680 -5.708 -2.159 1.00 0.00 H new ATOM 978 N ARG A 68 9.940 -4.205 -3.981 1.00 0.00 N ATOM 979 CA ARG A 68 10.897 -3.130 -4.213 1.00 0.00 C ATOM 980 C ARG A 68 11.355 -3.114 -5.669 1.00 0.00 C ATOM 981 O ARG A 68 12.399 -3.672 -6.008 1.00 0.00 O ATOM 982 CB ARG A 68 12.105 -3.286 -3.288 1.00 0.00 C ATOM 983 CG ARG A 68 11.923 -2.627 -1.931 1.00 0.00 C ATOM 984 CD ARG A 68 13.257 -2.225 -1.323 1.00 0.00 C ATOM 985 NE ARG A 68 14.098 -3.383 -1.033 1.00 0.00 N ATOM 986 CZ ARG A 68 15.294 -3.299 -0.462 1.00 0.00 C ATOM 987 NH1 ARG A 68 15.788 -2.116 -0.121 1.00 0.00 N ATOM 988 NH2 ARG A 68 16.000 -4.399 -0.230 1.00 0.00 N ATOM 0 H ARG A 68 10.356 -5.078 -3.657 1.00 0.00 H new ATOM 0 HA ARG A 68 10.402 -2.183 -3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.306 -4.347 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.982 -2.859 -3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.289 -1.746 -2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.407 -3.313 -1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.781 -1.559 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.082 -1.665 -0.404 1.00 0.00 H new ATOM 0 HE ARG A 68 13.747 -4.308 -1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.249 -1.268 -0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.707 -2.054 0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.624 -5.311 -0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.918 -4.332 0.209 1.00 0.00 H new ATOM 1002 N LYS A 69 10.567 -2.473 -6.525 1.00 0.00 N ATOM 1003 CA LYS A 69 10.891 -2.383 -7.944 1.00 0.00 C ATOM 1004 C LYS A 69 12.374 -2.093 -8.146 1.00 0.00 C ATOM 1005 O LYS A 69 13.056 -2.792 -8.894 1.00 0.00 O ATOM 1006 CB LYS A 69 10.051 -1.292 -8.611 1.00 0.00 C ATOM 1007 CG LYS A 69 8.647 -1.743 -8.977 1.00 0.00 C ATOM 1008 CD LYS A 69 7.931 -0.705 -9.825 1.00 0.00 C ATOM 1009 CE LYS A 69 6.445 -1.008 -9.939 1.00 0.00 C ATOM 1010 NZ LYS A 69 6.168 -2.039 -10.977 1.00 0.00 N ATOM 0 H LYS A 69 9.699 -2.008 -6.261 1.00 0.00 H new ATOM 0 HA LYS A 69 10.661 -3.343 -8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.985 -0.435 -7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.561 -0.953 -9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.697 -2.686 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.075 -1.929 -8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.069 0.283 -9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.375 -0.677 -10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.070 -1.353 -8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.905 -0.093 -10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.145 -2.218 -11.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.503 -1.700 -11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.662 -2.920 -10.731 1.00 0.00 H new ATOM 1024 N ASN A 70 12.868 -1.059 -7.473 1.00 0.00 N ATOM 1025 CA ASN A 70 14.271 -0.677 -7.579 1.00 0.00 C ATOM 1026 C ASN A 70 15.181 -1.830 -7.165 1.00 0.00 C ATOM 1027 O ASN A 70 15.517 -1.977 -5.990 1.00 0.00 O ATOM 1028 CB ASN A 70 14.555 0.549 -6.709 1.00 0.00 C ATOM 1029 CG ASN A 70 16.015 0.957 -6.743 1.00 0.00 C ATOM 1030 OD1 ASN A 70 16.908 0.121 -6.603 1.00 0.00 O ATOM 1031 ND2 ASN A 70 16.265 2.248 -6.929 1.00 0.00 N ATOM 0 H ASN A 70 12.317 -0.470 -6.848 1.00 0.00 H new ATOM 0 HA ASN A 70 14.477 -0.430 -8.621 1.00 0.00 H new ATOM 0 HB2 ASN A 70 13.940 1.382 -7.049 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.264 0.336 -5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 70 17.228 2.582 -6.960 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.494 2.906 -7.040 1.00 0.00 H new ATOM 1038 N ALA A 71 15.576 -2.644 -8.138 1.00 0.00 N ATOM 1039 CA ALA A 71 16.449 -3.781 -7.876 1.00 0.00 C ATOM 1040 C ALA A 71 17.916 -3.370 -7.925 1.00 0.00 C ATOM 1041 O ALA A 71 18.625 -3.444 -6.920 1.00 0.00 O ATOM 1042 CB ALA A 71 16.178 -4.896 -8.876 1.00 0.00 C ATOM 0 H ALA A 71 15.305 -2.537 -9.115 1.00 0.00 H new ATOM 0 HA ALA A 71 16.235 -4.148 -6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 71 16.837 -5.739 -8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.140 -5.217 -8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 71 16.363 -4.531 -9.886 1.00 0.00 H new ATOM 1048 N ILE A 72 18.366 -2.938 -9.098 1.00 0.00 N ATOM 1049 CA ILE A 72 19.750 -2.514 -9.276 1.00 0.00 C ATOM 1050 C ILE A 72 20.159 -1.509 -8.205 1.00 0.00 C ATOM 1051 O ILE A 72 19.320 -0.794 -7.657 1.00 0.00 O ATOM 1052 CB ILE A 72 19.972 -1.888 -10.665 1.00 0.00 C ATOM 1053 CG1 ILE A 72 21.468 -1.795 -10.973 1.00 0.00 C ATOM 1054 CG2 ILE A 72 19.325 -0.513 -10.735 1.00 0.00 C ATOM 1055 CD1 ILE A 72 22.162 -3.139 -11.010 1.00 0.00 C ATOM 0 H ILE A 72 17.793 -2.872 -9.939 1.00 0.00 H new ATOM 0 HA ILE A 72 20.368 -3.407 -9.187 1.00 0.00 H new ATOM 0 HB ILE A 72 19.505 -2.527 -11.415 1.00 0.00 H new ATOM 0 HG12 ILE A 72 21.603 -1.299 -11.934 1.00 0.00 H new ATOM 0 HG13 ILE A 72 21.947 -1.168 -10.221 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.490 -0.083 -11.723 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.254 -0.605 -10.554 1.00 0.00 H new ATOM 0 HG23 ILE A 72 19.766 0.136 -9.978 1.00 0.00 H new ATOM 0 HD11 ILE A 72 23.219 -2.997 -11.234 1.00 0.00 H new ATOM 0 HD12 ILE A 72 22.059 -3.629 -10.042 1.00 0.00 H new ATOM 0 HD13 ILE A 72 21.709 -3.761 -11.782 1.00 0.00 H new ATOM 1067 N ARG A 73 21.455 -1.457 -7.914 1.00 0.00 N ATOM 1068 CA ARG A 73 21.976 -0.538 -6.909 1.00 0.00 C ATOM 1069 C ARG A 73 21.179 -0.642 -5.612 1.00 0.00 C ATOM 1070 O ARG A 73 21.056 0.331 -4.869 1.00 0.00 O ATOM 1071 CB ARG A 73 21.936 0.899 -7.432 1.00 0.00 C ATOM 1072 CG ARG A 73 23.097 1.246 -8.349 1.00 0.00 C ATOM 1073 CD ARG A 73 24.329 1.656 -7.557 1.00 0.00 C ATOM 1074 NE ARG A 73 25.203 2.541 -8.323 1.00 0.00 N ATOM 1075 CZ ARG A 73 26.417 2.901 -7.922 1.00 0.00 C ATOM 1076 NH1 ARG A 73 26.899 2.453 -6.771 1.00 0.00 N ATOM 1077 NH2 ARG A 73 27.152 3.710 -8.674 1.00 0.00 N ATOM 0 H ARG A 73 22.163 -2.040 -8.360 1.00 0.00 H new ATOM 0 HA ARG A 73 23.010 -0.813 -6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.001 1.055 -7.969 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.935 1.585 -6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 73 23.336 0.387 -8.977 1.00 0.00 H new ATOM 0 HG3 ARG A 73 22.805 2.057 -9.016 1.00 0.00 H new ATOM 0 HD2 ARG A 73 24.020 2.157 -6.640 1.00 0.00 H new ATOM 0 HD3 ARG A 73 24.884 0.765 -7.262 1.00 0.00 H new ATOM 0 HE ARG A 73 24.863 2.902 -9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 73 26.337 1.830 -6.191 1.00 0.00 H new ATOM 0 HH12 ARG A 73 27.832 2.731 -6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 73 26.785 4.056 -9.561 1.00 0.00 H new ATOM 0 HH22 ARG A 73 28.084 3.986 -8.366 1.00 0.00 H new TER 1091 ARG A 73 HETATM 1092 ZN ZN A 201 -9.594 2.688 -4.018 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 -1.435 -7.319 -1.104 1.00 0.00 ZN