USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 564 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 69 TYR OH : rot 180:sc= 0.482 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -1.22! C(o=-0.15!,f=-12!) USER MOD Set 1.3: A 96 GLN : amide:sc= 0.416 K(o=-0.15,f=-2.2!) USER MOD Set 1.4: A 99 SER OG : rot 96:sc= 0.175 USER MOD Set 2.1: A 95 CYS SG : rot -150:sc= -0.932 USER MOD Set 2.2: A 98 CYS SG : rot 180:sc= 0.0116 USER MOD Set 2.3: A 102 HIS : no HD1:sc= -2.12 K(o=-3,f=-4.5!) USER MOD Set 2.4: A 114 CYS SG : rot 180:sc= 0.0344 USER MOD Set 3.1: A 83 SER OG : rot 180:sc= 0.0528 USER MOD Set 3.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 54 CYS SG : rot -150:sc= -0.147 USER MOD Set 4.2: A 59 CYS SG : rot 180:sc= -0.129 USER MOD Set 4.3: A 76 CYS SG : rot 64:sc= -0.636 USER MOD Set 4.4: A 79 HIS : no HD1:sc= -0.557 K(o=-1.5,f=-0.5) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-0.52) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= -0.0259 (180deg=-0.255) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 92 GLN : amide:sc= -1.68 K(o=-1.7,f=-4.6!) USER MOD Single : A 97 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.4!) USER MOD Single : A 105 GLN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= -0.101 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 51 -8.784 25.029 1.761 1.00 0.00 N ATOM 2 CA LEU A 51 -8.493 24.739 0.333 1.00 0.00 C ATOM 3 C LEU A 51 -9.163 23.444 -0.117 1.00 0.00 C ATOM 4 O LEU A 51 -9.951 22.853 0.621 1.00 0.00 O ATOM 5 CB LEU A 51 -6.974 24.640 0.157 1.00 0.00 C ATOM 6 CG LEU A 51 -6.325 25.840 -0.538 1.00 0.00 C ATOM 7 CD1 LEU A 51 -5.791 26.826 0.490 1.00 0.00 C ATOM 8 CD2 LEU A 51 -5.213 25.379 -1.467 1.00 0.00 C ATOM 0 HA LEU A 51 -8.892 25.544 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.517 24.516 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.747 23.741 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.084 26.345 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.333 27.673 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.611 27.180 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.046 26.333 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.763 26.245 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.454 24.850 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.625 24.711 -2.224 1.00 0.00 H new ATOM 20 N ARG A 52 -8.843 23.010 -1.331 1.00 0.00 N ATOM 21 CA ARG A 52 -9.413 21.786 -1.882 1.00 0.00 C ATOM 22 C ARG A 52 -8.391 21.053 -2.745 1.00 0.00 C ATOM 23 O ARG A 52 -8.449 21.104 -3.974 1.00 0.00 O ATOM 24 CB ARG A 52 -10.660 22.105 -2.708 1.00 0.00 C ATOM 25 CG ARG A 52 -11.910 22.315 -1.866 1.00 0.00 C ATOM 26 CD ARG A 52 -12.824 21.099 -1.910 1.00 0.00 C ATOM 27 NE ARG A 52 -13.918 21.271 -2.862 1.00 0.00 N ATOM 28 CZ ARG A 52 -15.032 20.542 -2.852 1.00 0.00 C ATOM 29 NH1 ARG A 52 -15.201 19.591 -1.942 1.00 0.00 N ATOM 30 NH2 ARG A 52 -15.977 20.764 -3.755 1.00 0.00 N ATOM 0 H ARG A 52 -8.191 23.488 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.693 21.139 -1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.475 23.002 -3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.838 21.291 -3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.625 22.520 -0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.450 23.190 -2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.242 20.218 -2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.233 20.917 -0.916 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.823 21.992 -3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.476 19.416 -1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.056 19.035 -1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.850 21.493 -4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.831 20.206 -3.748 1.00 0.00 H new ATOM 44 N LEU A 53 -7.453 20.372 -2.093 1.00 0.00 N ATOM 45 CA LEU A 53 -6.415 19.630 -2.799 1.00 0.00 C ATOM 46 C LEU A 53 -6.638 18.125 -2.671 1.00 0.00 C ATOM 47 O LEU A 53 -6.242 17.354 -3.546 1.00 0.00 O ATOM 48 CB LEU A 53 -5.036 20.001 -2.253 1.00 0.00 C ATOM 49 CG LEU A 53 -4.784 21.502 -2.101 1.00 0.00 C ATOM 50 CD1 LEU A 53 -3.546 21.753 -1.256 1.00 0.00 C ATOM 51 CD2 LEU A 53 -4.639 22.156 -3.468 1.00 0.00 C ATOM 0 H LEU A 53 -7.391 20.319 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.465 19.897 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.907 19.526 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.276 19.585 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.640 21.946 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.383 22.826 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.686 21.317 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.680 21.296 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.460 23.224 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.800 21.707 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.553 22.006 -4.042 1.00 0.00 H new ATOM 63 N CYS A 54 -7.271 17.714 -1.576 1.00 0.00 N ATOM 64 CA CYS A 54 -7.545 16.302 -1.335 1.00 0.00 C ATOM 65 C CYS A 54 -8.348 15.695 -2.482 1.00 0.00 C ATOM 66 O CYS A 54 -9.343 16.266 -2.926 1.00 0.00 O ATOM 67 CB CYS A 54 -8.308 16.131 -0.019 1.00 0.00 C ATOM 68 SG CYS A 54 -8.370 14.426 0.585 1.00 0.00 S ATOM 0 H CYS A 54 -7.604 18.339 -0.842 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.591 15.779 -1.270 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.843 16.758 0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.327 16.495 -0.153 1.00 0.00 H new ATOM 0 HG CYS A 54 -9.466 14.244 1.260 1.00 0.00 H new ATOM 73 N GLN A 55 -7.905 14.536 -2.958 1.00 0.00 N ATOM 74 CA GLN A 55 -8.581 13.850 -4.053 1.00 0.00 C ATOM 75 C GLN A 55 -9.781 13.055 -3.543 1.00 0.00 C ATOM 76 O GLN A 55 -10.731 12.805 -4.284 1.00 0.00 O ATOM 77 CB GLN A 55 -7.608 12.918 -4.777 1.00 0.00 C ATOM 78 CG GLN A 55 -7.052 11.814 -3.894 1.00 0.00 C ATOM 79 CD GLN A 55 -5.666 11.370 -4.317 1.00 0.00 C ATOM 80 OE1 GLN A 55 -5.511 10.584 -5.250 1.00 0.00 O ATOM 81 NE2 GLN A 55 -4.648 11.874 -3.629 1.00 0.00 N ATOM 0 H GLN A 55 -7.081 14.052 -2.602 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.940 14.605 -4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.116 12.468 -5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.780 13.507 -5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.018 12.162 -2.862 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.727 10.959 -3.920 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.823 12.523 -2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.692 11.612 -3.868 1.00 0.00 H new ATOM 90 N VAL A 56 -9.728 12.661 -2.274 1.00 0.00 N ATOM 91 CA VAL A 56 -10.811 11.896 -1.665 1.00 0.00 C ATOM 92 C VAL A 56 -12.138 12.640 -1.769 1.00 0.00 C ATOM 93 O VAL A 56 -12.258 13.779 -1.320 1.00 0.00 O ATOM 94 CB VAL A 56 -10.520 11.592 -0.183 1.00 0.00 C ATOM 95 CG1 VAL A 56 -11.561 10.638 0.380 1.00 0.00 C ATOM 96 CG2 VAL A 56 -9.117 11.022 -0.017 1.00 0.00 C ATOM 0 H VAL A 56 -8.947 12.859 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.881 10.957 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.575 12.525 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.339 10.435 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.550 11.090 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.541 9.705 -0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.931 10.814 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.029 10.099 -0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.386 11.745 -0.379 1.00 0.00 H new ATOM 106 N ASP A 57 -13.132 11.987 -2.363 1.00 0.00 N ATOM 107 CA ASP A 57 -14.451 12.587 -2.523 1.00 0.00 C ATOM 108 C ASP A 57 -15.187 12.647 -1.189 1.00 0.00 C ATOM 109 O ASP A 57 -14.885 11.888 -0.268 1.00 0.00 O ATOM 110 CB ASP A 57 -15.275 11.792 -3.538 1.00 0.00 C ATOM 111 CG ASP A 57 -14.721 11.899 -4.945 1.00 0.00 C ATOM 112 OD1 ASP A 57 -13.491 11.755 -5.111 1.00 0.00 O ATOM 113 OD2 ASP A 57 -15.515 12.126 -5.881 1.00 0.00 O ATOM 0 H ASP A 57 -13.049 11.043 -2.741 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.318 13.605 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.301 10.744 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -16.304 12.152 -3.528 1.00 0.00 H new ATOM 118 N ARG A 58 -16.152 13.556 -1.093 1.00 0.00 N ATOM 119 CA ARG A 58 -16.932 13.716 0.130 1.00 0.00 C ATOM 120 C ARG A 58 -16.037 14.100 1.304 1.00 0.00 C ATOM 121 O ARG A 58 -16.364 13.831 2.460 1.00 0.00 O ATOM 122 CB ARG A 58 -17.688 12.426 0.450 1.00 0.00 C ATOM 123 CG ARG A 58 -18.991 12.279 -0.317 1.00 0.00 C ATOM 124 CD ARG A 58 -20.184 12.723 0.516 1.00 0.00 C ATOM 125 NE ARG A 58 -19.927 13.976 1.220 1.00 0.00 N ATOM 126 CZ ARG A 58 -19.988 15.175 0.645 1.00 0.00 C ATOM 127 NH1 ARG A 58 -20.301 15.288 -0.639 1.00 0.00 N ATOM 128 NH2 ARG A 58 -19.738 16.266 1.358 1.00 0.00 N ATOM 0 H ARG A 58 -16.413 14.193 -1.846 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.650 14.520 -0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -17.046 11.574 0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -17.900 12.394 1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -18.944 12.871 -1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -19.122 11.239 -0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -21.053 12.843 -0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -20.430 11.945 1.239 1.00 0.00 H new ATOM 0 HE ARG A 58 -19.687 13.930 2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -20.497 14.453 -1.192 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -20.346 16.210 -1.074 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.499 16.186 2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -19.785 17.185 0.918 1.00 0.00 H new ATOM 142 N CYS A 59 -14.906 14.732 1.003 1.00 0.00 N ATOM 143 CA CYS A 59 -13.969 15.153 2.037 1.00 0.00 C ATOM 144 C CYS A 59 -14.500 16.372 2.787 1.00 0.00 C ATOM 145 O CYS A 59 -14.972 17.331 2.175 1.00 0.00 O ATOM 146 CB CYS A 59 -12.603 15.471 1.419 1.00 0.00 C ATOM 147 SG CYS A 59 -11.375 16.071 2.602 1.00 0.00 S ATOM 0 H CYS A 59 -14.617 14.963 0.052 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.855 14.334 2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.217 14.573 0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.736 16.220 0.639 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.257 16.309 1.984 1.00 0.00 H new ATOM 152 N THR A 60 -14.422 16.327 4.112 1.00 0.00 N ATOM 153 CA THR A 60 -14.896 17.427 4.943 1.00 0.00 C ATOM 154 C THR A 60 -13.863 17.808 5.998 1.00 0.00 C ATOM 155 O THR A 60 -14.211 18.298 7.072 1.00 0.00 O ATOM 156 CB THR A 60 -16.220 17.069 5.643 1.00 0.00 C ATOM 157 OG1 THR A 60 -16.184 15.711 6.097 1.00 0.00 O ATOM 158 CG2 THR A 60 -17.400 17.264 4.702 1.00 0.00 C ATOM 0 H THR A 60 -14.035 15.541 4.634 1.00 0.00 H new ATOM 0 HA THR A 60 -15.060 18.276 4.279 1.00 0.00 H new ATOM 0 HB THR A 60 -16.344 17.734 6.498 1.00 0.00 H new ATOM 0 HG1 THR A 60 -17.029 15.492 6.542 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.324 17.005 5.219 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.443 18.305 4.383 1.00 0.00 H new ATOM 0 HG23 THR A 60 -17.280 16.622 3.830 1.00 0.00 H new ATOM 166 N ALA A 61 -12.591 17.582 5.685 1.00 0.00 N ATOM 167 CA ALA A 61 -11.508 17.906 6.606 1.00 0.00 C ATOM 168 C ALA A 61 -11.011 19.331 6.386 1.00 0.00 C ATOM 169 O ALA A 61 -11.511 20.046 5.518 1.00 0.00 O ATOM 170 CB ALA A 61 -10.367 16.911 6.448 1.00 0.00 C ATOM 0 H ALA A 61 -12.285 17.176 4.801 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.893 17.838 7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.565 17.164 7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.729 15.906 6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.989 16.950 5.426 1.00 0.00 H new ATOM 176 N ASP A 62 -10.024 19.737 7.177 1.00 0.00 N ATOM 177 CA ASP A 62 -9.461 21.079 7.068 1.00 0.00 C ATOM 178 C ASP A 62 -8.064 21.034 6.456 1.00 0.00 C ATOM 179 O ASP A 62 -7.166 20.378 6.981 1.00 0.00 O ATOM 180 CB ASP A 62 -9.406 21.745 8.444 1.00 0.00 C ATOM 181 CG ASP A 62 -9.205 23.244 8.352 1.00 0.00 C ATOM 182 OD1 ASP A 62 -10.103 23.931 7.821 1.00 0.00 O ATOM 183 OD2 ASP A 62 -8.151 23.731 8.813 1.00 0.00 O ATOM 0 H ASP A 62 -9.597 19.158 7.900 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.107 21.665 6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.331 21.537 8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.594 21.307 9.025 1.00 0.00 H new ATOM 188 N MET A 63 -7.890 21.739 5.342 1.00 0.00 N ATOM 189 CA MET A 63 -6.603 21.781 4.658 1.00 0.00 C ATOM 190 C MET A 63 -6.078 23.212 4.574 1.00 0.00 C ATOM 191 O MET A 63 -5.379 23.573 3.628 1.00 0.00 O ATOM 192 CB MET A 63 -6.730 21.191 3.251 1.00 0.00 C ATOM 193 CG MET A 63 -6.437 19.700 3.190 1.00 0.00 C ATOM 194 SD MET A 63 -5.913 19.162 1.551 1.00 0.00 S ATOM 195 CE MET A 63 -4.301 18.474 1.918 1.00 0.00 C ATOM 0 H MET A 63 -8.624 22.288 4.895 1.00 0.00 H new ATOM 0 HA MET A 63 -5.895 21.185 5.233 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.739 21.370 2.880 1.00 0.00 H new ATOM 0 HB3 MET A 63 -6.047 21.715 2.583 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.659 19.457 3.914 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.329 19.146 3.482 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.848 18.098 1.000 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.664 19.248 2.346 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.408 17.656 2.631 1.00 0.00 H new ATOM 205 N LYS A 64 -6.419 24.021 5.573 1.00 0.00 N ATOM 206 CA LYS A 64 -5.981 25.412 5.612 1.00 0.00 C ATOM 207 C LYS A 64 -4.466 25.501 5.755 1.00 0.00 C ATOM 208 O LYS A 64 -3.817 26.310 5.092 1.00 0.00 O ATOM 209 CB LYS A 64 -6.658 26.148 6.769 1.00 0.00 C ATOM 210 CG LYS A 64 -6.321 27.629 6.827 1.00 0.00 C ATOM 211 CD LYS A 64 -6.087 28.093 8.256 1.00 0.00 C ATOM 212 CE LYS A 64 -5.296 29.391 8.297 1.00 0.00 C ATOM 213 NZ LYS A 64 -6.178 30.583 8.172 1.00 0.00 N ATOM 0 H LYS A 64 -6.996 23.738 6.365 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.267 25.884 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.738 26.033 6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.364 25.680 7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.430 27.824 6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.134 28.205 6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.045 28.234 8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.550 27.321 8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.740 29.448 9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.563 29.395 7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.600 31.447 8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.690 30.543 7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.861 30.593 8.956 1.00 0.00 H new ATOM 227 N GLU A 65 -3.907 24.667 6.626 1.00 0.00 N ATOM 228 CA GLU A 65 -2.467 24.652 6.854 1.00 0.00 C ATOM 229 C GLU A 65 -1.942 23.222 6.922 1.00 0.00 C ATOM 230 O GLU A 65 -1.724 22.681 8.006 1.00 0.00 O ATOM 231 CB GLU A 65 -2.129 25.394 8.149 1.00 0.00 C ATOM 232 CG GLU A 65 -2.465 26.876 8.106 1.00 0.00 C ATOM 233 CD GLU A 65 -1.347 27.710 7.515 1.00 0.00 C ATOM 234 OE1 GLU A 65 -1.045 27.533 6.316 1.00 0.00 O ATOM 235 OE2 GLU A 65 -0.773 28.541 8.249 1.00 0.00 O ATOM 0 H GLU A 65 -4.430 23.993 7.185 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.985 25.157 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.669 24.931 8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.066 25.277 8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.372 27.022 7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.679 27.226 9.116 1.00 0.00 H new ATOM 242 N ALA A 66 -1.740 22.616 5.756 1.00 0.00 N ATOM 243 CA ALA A 66 -1.238 21.250 5.683 1.00 0.00 C ATOM 244 C ALA A 66 0.287 21.225 5.676 1.00 0.00 C ATOM 245 O ALA A 66 0.933 22.234 5.395 1.00 0.00 O ATOM 246 CB ALA A 66 -1.784 20.554 4.446 1.00 0.00 C ATOM 0 H ALA A 66 -1.916 23.050 4.850 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.580 20.715 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.401 19.534 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.873 20.531 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.470 21.097 3.555 1.00 0.00 H new ATOM 252 N LYS A 67 0.857 20.065 5.989 1.00 0.00 N ATOM 253 CA LYS A 67 2.306 19.910 6.017 1.00 0.00 C ATOM 254 C LYS A 67 2.863 19.736 4.608 1.00 0.00 C ATOM 255 O LYS A 67 2.111 19.665 3.637 1.00 0.00 O ATOM 256 CB LYS A 67 2.695 18.711 6.885 1.00 0.00 C ATOM 257 CG LYS A 67 3.950 18.940 7.711 1.00 0.00 C ATOM 258 CD LYS A 67 3.922 18.134 9.001 1.00 0.00 C ATOM 259 CE LYS A 67 4.803 16.898 8.904 1.00 0.00 C ATOM 260 NZ LYS A 67 5.268 16.440 10.242 1.00 0.00 N ATOM 0 H LYS A 67 0.337 19.220 6.226 1.00 0.00 H new ATOM 0 HA LYS A 67 2.735 20.815 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.868 18.474 7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.845 17.842 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.827 18.663 7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.045 20.000 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.259 18.758 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.897 17.836 9.223 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.249 16.095 8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.666 17.116 8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.865 15.596 10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.818 17.197 10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.446 16.207 10.834 1.00 0.00 H new ATOM 274 N LEU A 68 4.187 19.670 4.506 1.00 0.00 N ATOM 275 CA LEU A 68 4.846 19.504 3.215 1.00 0.00 C ATOM 276 C LEU A 68 4.649 18.090 2.677 1.00 0.00 C ATOM 277 O LEU A 68 4.700 17.863 1.468 1.00 0.00 O ATOM 278 CB LEU A 68 6.339 19.816 3.339 1.00 0.00 C ATOM 279 CG LEU A 68 6.889 20.775 2.282 1.00 0.00 C ATOM 280 CD1 LEU A 68 8.352 21.089 2.554 1.00 0.00 C ATOM 281 CD2 LEU A 68 6.717 20.189 0.889 1.00 0.00 C ATOM 0 H LEU A 68 4.824 19.729 5.301 1.00 0.00 H new ATOM 0 HA LEU A 68 4.393 20.203 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.525 20.241 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.896 18.881 3.284 1.00 0.00 H new ATOM 0 HG LEU A 68 6.324 21.706 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.725 21.773 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.448 21.553 3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.933 20.167 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.114 20.885 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.255 19.244 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.658 20.018 0.694 1.00 0.00 H new ATOM 293 N TYR A 69 4.423 17.140 3.580 1.00 0.00 N ATOM 294 CA TYR A 69 4.218 15.749 3.193 1.00 0.00 C ATOM 295 C TYR A 69 2.791 15.525 2.707 1.00 0.00 C ATOM 296 O TYR A 69 2.571 14.998 1.617 1.00 0.00 O ATOM 297 CB TYR A 69 4.523 14.821 4.370 1.00 0.00 C ATOM 298 CG TYR A 69 4.350 13.354 4.047 1.00 0.00 C ATOM 299 CD1 TYR A 69 5.389 12.618 3.489 1.00 0.00 C ATOM 300 CD2 TYR A 69 3.149 12.703 4.301 1.00 0.00 C ATOM 301 CE1 TYR A 69 5.235 11.278 3.193 1.00 0.00 C ATOM 302 CE2 TYR A 69 2.988 11.363 4.008 1.00 0.00 C ATOM 303 CZ TYR A 69 4.034 10.655 3.454 1.00 0.00 C ATOM 304 OH TYR A 69 3.876 9.320 3.160 1.00 0.00 O ATOM 0 H TYR A 69 4.377 17.309 4.585 1.00 0.00 H new ATOM 0 HA TYR A 69 4.900 15.520 2.374 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.547 14.993 4.701 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.871 15.080 5.204 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.332 13.102 3.284 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.328 13.254 4.735 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.052 10.721 2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.048 10.872 4.212 1.00 0.00 H new ATOM 0 HH TYR A 69 2.971 9.036 3.406 1.00 0.00 H new ATOM 314 N HIS A 70 1.824 15.927 3.524 1.00 0.00 N ATOM 315 CA HIS A 70 0.415 15.770 3.179 1.00 0.00 C ATOM 316 C HIS A 70 0.050 16.608 1.956 1.00 0.00 C ATOM 317 O HIS A 70 -0.971 16.367 1.310 1.00 0.00 O ATOM 318 CB HIS A 70 -0.468 16.163 4.364 1.00 0.00 C ATOM 319 CG HIS A 70 -0.814 15.014 5.260 1.00 0.00 C ATOM 320 ND1 HIS A 70 -0.946 15.138 6.626 1.00 0.00 N ATOM 321 CD2 HIS A 70 -1.059 13.712 4.976 1.00 0.00 C ATOM 322 CE1 HIS A 70 -1.255 13.962 7.145 1.00 0.00 C ATOM 323 NE2 HIS A 70 -1.329 13.081 6.165 1.00 0.00 N ATOM 0 H HIS A 70 1.990 16.364 4.430 1.00 0.00 H new ATOM 0 HA HIS A 70 0.244 14.721 2.937 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.042 16.928 4.949 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.388 16.610 3.988 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.045 13.256 3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.419 13.757 8.193 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.551 12.091 6.273 1.00 0.00 H new ATOM 331 N ARG A 71 0.885 17.594 1.641 1.00 0.00 N ATOM 332 CA ARG A 71 0.642 18.464 0.495 1.00 0.00 C ATOM 333 C ARG A 71 1.068 17.786 -0.803 1.00 0.00 C ATOM 334 O ARG A 71 0.467 18.007 -1.856 1.00 0.00 O ATOM 335 CB ARG A 71 1.394 19.786 0.664 1.00 0.00 C ATOM 336 CG ARG A 71 0.608 20.843 1.424 1.00 0.00 C ATOM 337 CD ARG A 71 0.252 22.026 0.538 1.00 0.00 C ATOM 338 NE ARG A 71 0.445 23.300 1.225 1.00 0.00 N ATOM 339 CZ ARG A 71 -0.100 24.448 0.825 1.00 0.00 C ATOM 340 NH1 ARG A 71 -0.871 24.484 -0.253 1.00 0.00 N ATOM 341 NH2 ARG A 71 0.127 25.562 1.508 1.00 0.00 N ATOM 0 H ARG A 71 1.735 17.810 2.162 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.428 18.666 0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.331 19.596 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.652 20.176 -0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.304 20.400 1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.194 21.190 2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.866 22.003 -0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.786 21.940 0.218 1.00 0.00 H new ATOM 0 HE ARG A 71 1.031 23.312 2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.050 23.630 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.285 25.366 -0.554 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.718 25.539 2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.290 26.441 1.203 1.00 0.00 H new ATOM 355 N ARG A 72 2.106 16.961 -0.723 1.00 0.00 N ATOM 356 CA ARG A 72 2.610 16.251 -1.892 1.00 0.00 C ATOM 357 C ARG A 72 1.641 15.153 -2.320 1.00 0.00 C ATOM 358 O ARG A 72 1.331 15.011 -3.503 1.00 0.00 O ATOM 359 CB ARG A 72 3.984 15.647 -1.596 1.00 0.00 C ATOM 360 CG ARG A 72 4.692 15.111 -2.829 1.00 0.00 C ATOM 361 CD ARG A 72 4.426 13.626 -3.021 1.00 0.00 C ATOM 362 NE ARG A 72 5.558 12.943 -3.642 1.00 0.00 N ATOM 363 CZ ARG A 72 6.655 12.581 -2.983 1.00 0.00 C ATOM 364 NH1 ARG A 72 6.774 12.834 -1.686 1.00 0.00 N ATOM 365 NH2 ARG A 72 7.638 11.962 -3.623 1.00 0.00 N ATOM 0 H ARG A 72 2.615 16.768 0.140 1.00 0.00 H new ATOM 0 HA ARG A 72 2.704 16.967 -2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.612 16.405 -1.128 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.868 14.839 -0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.357 15.659 -3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.765 15.281 -2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.212 13.168 -2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.539 13.494 -3.640 1.00 0.00 H new ATOM 0 HE ARG A 72 5.504 12.732 -4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.021 13.309 -1.188 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.618 12.553 -1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.552 11.764 -4.620 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.480 11.684 -3.118 1.00 0.00 H new ATOM 379 N HIS A 73 1.168 14.378 -1.350 1.00 0.00 N ATOM 380 CA HIS A 73 0.234 13.293 -1.625 1.00 0.00 C ATOM 381 C HIS A 73 -1.187 13.822 -1.790 1.00 0.00 C ATOM 382 O HIS A 73 -2.016 13.204 -2.460 1.00 0.00 O ATOM 383 CB HIS A 73 0.277 12.258 -0.500 1.00 0.00 C ATOM 384 CG HIS A 73 1.659 11.774 -0.184 1.00 0.00 C ATOM 385 ND1 HIS A 73 2.447 11.104 -1.095 1.00 0.00 N ATOM 386 CD2 HIS A 73 2.393 11.868 0.950 1.00 0.00 C ATOM 387 CE1 HIS A 73 3.606 10.806 -0.534 1.00 0.00 C ATOM 388 NE2 HIS A 73 3.598 11.258 0.704 1.00 0.00 N ATOM 0 H HIS A 73 1.416 14.481 -0.366 1.00 0.00 H new ATOM 0 HA HIS A 73 0.535 12.819 -2.559 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.162 12.692 0.399 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.343 11.406 -0.778 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.088 12.335 1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.421 10.281 -1.009 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.364 11.169 1.372 1.00 0.00 H new ATOM 396 N LYS A 74 -1.464 14.969 -1.176 1.00 0.00 N ATOM 397 CA LYS A 74 -2.786 15.580 -1.256 1.00 0.00 C ATOM 398 C LYS A 74 -3.835 14.696 -0.587 1.00 0.00 C ATOM 399 O LYS A 74 -4.848 14.346 -1.193 1.00 0.00 O ATOM 400 CB LYS A 74 -3.169 15.836 -2.716 1.00 0.00 C ATOM 401 CG LYS A 74 -2.058 16.479 -3.532 1.00 0.00 C ATOM 402 CD LYS A 74 -1.651 15.614 -4.716 1.00 0.00 C ATOM 403 CE LYS A 74 -2.061 16.246 -6.037 1.00 0.00 C ATOM 404 NZ LYS A 74 -3.488 15.975 -6.365 1.00 0.00 N ATOM 0 H LYS A 74 -0.790 15.493 -0.618 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.750 16.533 -0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.450 14.891 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.049 16.479 -2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.389 17.454 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.192 16.652 -2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.572 15.463 -4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.111 14.630 -4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.898 17.323 -5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.426 15.862 -6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.727 16.423 -7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.639 14.948 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.096 16.364 -5.616 1.00 0.00 H new ATOM 418 N VAL A 75 -3.583 14.337 0.667 1.00 0.00 N ATOM 419 CA VAL A 75 -4.502 13.493 1.421 1.00 0.00 C ATOM 420 C VAL A 75 -4.417 13.788 2.916 1.00 0.00 C ATOM 421 O VAL A 75 -3.330 13.977 3.461 1.00 0.00 O ATOM 422 CB VAL A 75 -4.214 11.998 1.180 1.00 0.00 C ATOM 423 CG1 VAL A 75 -2.804 11.644 1.627 1.00 0.00 C ATOM 424 CG2 VAL A 75 -5.243 11.131 1.895 1.00 0.00 C ATOM 0 H VAL A 75 -2.749 14.618 1.183 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.508 13.721 1.068 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.290 11.802 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.621 10.584 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.084 12.237 1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.695 11.857 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.022 10.079 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.205 11.329 2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.239 11.363 1.518 1.00 0.00 H new ATOM 434 N CYS A 76 -5.572 13.826 3.573 1.00 0.00 N ATOM 435 CA CYS A 76 -5.631 14.099 5.004 1.00 0.00 C ATOM 436 C CYS A 76 -5.120 12.908 5.807 1.00 0.00 C ATOM 437 O CYS A 76 -5.064 11.786 5.305 1.00 0.00 O ATOM 438 CB CYS A 76 -7.064 14.429 5.422 1.00 0.00 C ATOM 439 SG CYS A 76 -7.886 15.633 4.353 1.00 0.00 S ATOM 0 H CYS A 76 -6.481 13.671 3.136 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.991 14.957 5.211 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.649 13.509 5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.054 14.812 6.442 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.011 15.138 3.158 1.00 0.00 H new ATOM 444 N GLU A 77 -4.749 13.160 7.058 1.00 0.00 N ATOM 445 CA GLU A 77 -4.247 12.106 7.932 1.00 0.00 C ATOM 446 C GLU A 77 -5.316 11.042 8.160 1.00 0.00 C ATOM 447 O GLU A 77 -5.007 9.863 8.329 1.00 0.00 O ATOM 448 CB GLU A 77 -3.799 12.691 9.271 1.00 0.00 C ATOM 449 CG GLU A 77 -2.831 11.800 10.032 1.00 0.00 C ATOM 450 CD GLU A 77 -1.844 12.590 10.869 1.00 0.00 C ATOM 451 OE1 GLU A 77 -1.592 13.766 10.537 1.00 0.00 O ATOM 452 OE2 GLU A 77 -1.324 12.032 11.857 1.00 0.00 O ATOM 0 H GLU A 77 -4.786 14.084 7.489 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.390 11.641 7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.328 13.658 9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.677 12.872 9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.394 11.128 10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.284 11.177 9.324 1.00 0.00 H new ATOM 459 N VAL A 78 -6.575 11.470 8.161 1.00 0.00 N ATOM 460 CA VAL A 78 -7.692 10.556 8.366 1.00 0.00 C ATOM 461 C VAL A 78 -7.971 9.746 7.105 1.00 0.00 C ATOM 462 O VAL A 78 -8.427 8.606 7.174 1.00 0.00 O ATOM 463 CB VAL A 78 -8.976 11.313 8.766 1.00 0.00 C ATOM 464 CG1 VAL A 78 -10.014 10.346 9.317 1.00 0.00 C ATOM 465 CG2 VAL A 78 -8.663 12.406 9.778 1.00 0.00 C ATOM 0 H VAL A 78 -6.846 12.443 8.022 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.407 9.885 9.177 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.389 11.786 7.875 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.913 10.896 9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.262 9.606 8.556 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.612 9.842 10.196 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.582 12.927 10.046 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.224 11.960 10.671 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.958 13.114 9.342 1.00 0.00 H new ATOM 475 N HIS A 79 -7.696 10.349 5.952 1.00 0.00 N ATOM 476 CA HIS A 79 -7.917 9.688 4.671 1.00 0.00 C ATOM 477 C HIS A 79 -6.678 8.912 4.231 1.00 0.00 C ATOM 478 O HIS A 79 -6.772 7.977 3.435 1.00 0.00 O ATOM 479 CB HIS A 79 -8.295 10.719 3.605 1.00 0.00 C ATOM 480 CG HIS A 79 -9.682 11.260 3.765 1.00 0.00 C ATOM 481 ND1 HIS A 79 -10.023 12.566 3.477 1.00 0.00 N ATOM 482 CD2 HIS A 79 -10.822 10.663 4.189 1.00 0.00 C ATOM 483 CE1 HIS A 79 -11.311 12.747 3.718 1.00 0.00 C ATOM 484 NE2 HIS A 79 -11.817 11.607 4.150 1.00 0.00 N ATOM 0 H HIS A 79 -7.320 11.294 5.879 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.737 8.980 4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.585 11.545 3.641 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.203 10.262 2.620 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.928 9.634 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.856 13.670 3.584 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.791 11.453 4.412 1.00 0.00 H new ATOM 491 N ALA A 80 -5.519 9.305 4.749 1.00 0.00 N ATOM 492 CA ALA A 80 -4.265 8.643 4.406 1.00 0.00 C ATOM 493 C ALA A 80 -4.028 7.420 5.284 1.00 0.00 C ATOM 494 O ALA A 80 -3.626 6.363 4.798 1.00 0.00 O ATOM 495 CB ALA A 80 -3.104 9.617 4.530 1.00 0.00 C ATOM 0 H ALA A 80 -5.422 10.078 5.407 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.334 8.305 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.174 9.110 4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.260 10.457 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.044 9.983 5.555 1.00 0.00 H new ATOM 501 N LYS A 81 -4.275 7.572 6.582 1.00 0.00 N ATOM 502 CA LYS A 81 -4.085 6.477 7.528 1.00 0.00 C ATOM 503 C LYS A 81 -5.402 5.759 7.808 1.00 0.00 C ATOM 504 O LYS A 81 -5.582 5.166 8.872 1.00 0.00 O ATOM 505 CB LYS A 81 -3.493 7.005 8.836 1.00 0.00 C ATOM 506 CG LYS A 81 -2.198 7.781 8.649 1.00 0.00 C ATOM 507 CD LYS A 81 -1.060 7.175 9.454 1.00 0.00 C ATOM 508 CE LYS A 81 -0.452 5.975 8.744 1.00 0.00 C ATOM 509 NZ LYS A 81 0.301 6.375 7.524 1.00 0.00 N ATOM 0 H LYS A 81 -4.606 8.440 7.002 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.392 5.763 7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.226 7.649 9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.310 6.166 9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -1.930 7.794 7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.347 8.817 8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.290 7.928 9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.428 6.871 10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.216 5.449 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.243 5.276 8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.941 5.605 7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.368 6.569 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.857 7.231 7.724 1.00 0.00 H new ATOM 523 N ALA A 82 -6.320 5.814 6.848 1.00 0.00 N ATOM 524 CA ALA A 82 -7.618 5.167 6.994 1.00 0.00 C ATOM 525 C ALA A 82 -7.580 3.734 6.474 1.00 0.00 C ATOM 526 O ALA A 82 -6.750 3.393 5.629 1.00 0.00 O ATOM 527 CB ALA A 82 -8.691 5.968 6.271 1.00 0.00 C ATOM 0 H ALA A 82 -6.188 6.300 5.961 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.862 5.132 8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.655 5.473 6.388 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.744 6.971 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.444 6.034 5.211 1.00 0.00 H new ATOM 533 N SER A 83 -8.482 2.902 6.980 1.00 0.00 N ATOM 534 CA SER A 83 -8.552 1.506 6.563 1.00 0.00 C ATOM 535 C SER A 83 -9.400 1.357 5.304 1.00 0.00 C ATOM 536 O SER A 83 -9.154 0.478 4.478 1.00 0.00 O ATOM 537 CB SER A 83 -9.132 0.645 7.688 1.00 0.00 C ATOM 538 OG SER A 83 -10.199 1.311 8.342 1.00 0.00 O ATOM 0 H SER A 83 -9.175 3.169 7.679 1.00 0.00 H new ATOM 0 HA SER A 83 -7.540 1.167 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.486 -0.302 7.280 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.350 0.409 8.410 1.00 0.00 H new ATOM 0 HG SER A 83 -10.553 0.740 9.055 1.00 0.00 H new ATOM 544 N SER A 84 -10.398 2.225 5.164 1.00 0.00 N ATOM 545 CA SER A 84 -11.282 2.193 4.006 1.00 0.00 C ATOM 546 C SER A 84 -12.080 3.489 3.895 1.00 0.00 C ATOM 547 O SER A 84 -13.011 3.724 4.667 1.00 0.00 O ATOM 548 CB SER A 84 -12.235 1.000 4.098 1.00 0.00 C ATOM 549 OG SER A 84 -12.522 0.677 5.447 1.00 0.00 O ATOM 0 H SER A 84 -10.614 2.959 5.839 1.00 0.00 H new ATOM 0 HA SER A 84 -10.666 2.089 3.113 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.161 1.230 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.791 0.137 3.601 1.00 0.00 H new ATOM 0 HG SER A 84 -13.134 -0.088 5.477 1.00 0.00 H new ATOM 555 N VAL A 85 -11.708 4.327 2.933 1.00 0.00 N ATOM 556 CA VAL A 85 -12.389 5.601 2.724 1.00 0.00 C ATOM 557 C VAL A 85 -13.441 5.485 1.627 1.00 0.00 C ATOM 558 O VAL A 85 -13.371 4.597 0.778 1.00 0.00 O ATOM 559 CB VAL A 85 -11.397 6.717 2.348 1.00 0.00 C ATOM 560 CG1 VAL A 85 -12.056 8.083 2.470 1.00 0.00 C ATOM 561 CG2 VAL A 85 -10.148 6.643 3.215 1.00 0.00 C ATOM 0 H VAL A 85 -10.940 4.148 2.286 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.872 5.858 3.667 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.099 6.573 1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.339 8.858 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.915 8.134 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.387 8.237 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.461 7.441 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.425 6.757 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.662 5.678 3.072 1.00 0.00 H new ATOM 571 N PHE A 86 -14.415 6.387 1.651 1.00 0.00 N ATOM 572 CA PHE A 86 -15.482 6.386 0.656 1.00 0.00 C ATOM 573 C PHE A 86 -15.105 7.246 -0.547 1.00 0.00 C ATOM 574 O PHE A 86 -15.550 8.386 -0.672 1.00 0.00 O ATOM 575 CB PHE A 86 -16.784 6.897 1.274 1.00 0.00 C ATOM 576 CG PHE A 86 -18.017 6.309 0.649 1.00 0.00 C ATOM 577 CD1 PHE A 86 -18.148 4.936 0.504 1.00 0.00 C ATOM 578 CD2 PHE A 86 -19.044 7.127 0.203 1.00 0.00 C ATOM 579 CE1 PHE A 86 -19.280 4.391 -0.070 1.00 0.00 C ATOM 580 CE2 PHE A 86 -20.178 6.586 -0.373 1.00 0.00 C ATOM 581 CZ PHE A 86 -20.296 5.216 -0.511 1.00 0.00 C ATOM 0 H PHE A 86 -14.489 7.128 2.348 1.00 0.00 H new ATOM 0 HA PHE A 86 -15.627 5.361 0.316 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -16.784 6.671 2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -16.820 7.982 1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -17.356 4.285 0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -18.957 8.198 0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -19.371 3.320 -0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -20.972 7.234 -0.715 1.00 0.00 H new ATOM 0 HZ PHE A 86 -21.181 4.792 -0.963 1.00 0.00 H new ATOM 591 N LEU A 87 -14.281 6.689 -1.429 1.00 0.00 N ATOM 592 CA LEU A 87 -13.842 7.404 -2.621 1.00 0.00 C ATOM 593 C LEU A 87 -14.678 7.004 -3.833 1.00 0.00 C ATOM 594 O LEU A 87 -14.753 5.827 -4.187 1.00 0.00 O ATOM 595 CB LEU A 87 -12.363 7.127 -2.893 1.00 0.00 C ATOM 596 CG LEU A 87 -11.586 8.296 -3.505 1.00 0.00 C ATOM 597 CD1 LEU A 87 -10.279 8.521 -2.760 1.00 0.00 C ATOM 598 CD2 LEU A 87 -11.323 8.047 -4.982 1.00 0.00 C ATOM 0 H LEU A 87 -13.904 5.745 -1.340 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.977 8.471 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.884 6.843 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.287 6.270 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.193 9.197 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.742 9.356 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.490 8.747 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.667 7.621 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.770 8.888 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.738 7.134 -5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.272 7.940 -5.508 1.00 0.00 H new ATOM 610 N SER A 88 -15.306 7.991 -4.464 1.00 0.00 N ATOM 611 CA SER A 88 -16.138 7.742 -5.636 1.00 0.00 C ATOM 612 C SER A 88 -17.287 6.798 -5.296 1.00 0.00 C ATOM 613 O SER A 88 -17.722 6.007 -6.133 1.00 0.00 O ATOM 614 CB SER A 88 -15.296 7.152 -6.768 1.00 0.00 C ATOM 615 OG SER A 88 -15.757 7.598 -8.032 1.00 0.00 O ATOM 0 H SER A 88 -15.255 8.970 -4.184 1.00 0.00 H new ATOM 0 HA SER A 88 -16.558 8.694 -5.962 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.252 7.438 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 88 -15.336 6.064 -6.726 1.00 0.00 H new ATOM 0 HG SER A 88 -15.202 7.208 -8.739 1.00 0.00 H new ATOM 621 N GLY A 89 -17.774 6.888 -4.063 1.00 0.00 N ATOM 622 CA GLY A 89 -18.868 6.037 -3.635 1.00 0.00 C ATOM 623 C GLY A 89 -18.474 4.574 -3.559 1.00 0.00 C ATOM 624 O GLY A 89 -19.314 3.690 -3.713 1.00 0.00 O ATOM 0 H GLY A 89 -17.431 7.535 -3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -19.218 6.366 -2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.703 6.149 -4.327 1.00 0.00 H new ATOM 628 N LEU A 90 -17.191 4.321 -3.323 1.00 0.00 N ATOM 629 CA LEU A 90 -16.688 2.957 -3.228 1.00 0.00 C ATOM 630 C LEU A 90 -15.784 2.793 -2.009 1.00 0.00 C ATOM 631 O LEU A 90 -15.653 3.708 -1.194 1.00 0.00 O ATOM 632 CB LEU A 90 -15.923 2.583 -4.502 1.00 0.00 C ATOM 633 CG LEU A 90 -16.491 1.385 -5.266 1.00 0.00 C ATOM 634 CD1 LEU A 90 -17.310 1.851 -6.462 1.00 0.00 C ATOM 635 CD2 LEU A 90 -15.371 0.459 -5.717 1.00 0.00 C ATOM 0 H LEU A 90 -16.482 5.043 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 90 -17.541 2.288 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -15.910 3.446 -5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -14.888 2.369 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 90 -17.147 0.831 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -17.705 0.985 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.136 2.473 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -16.676 2.429 -7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -15.794 -0.387 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -14.689 1.004 -6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -14.826 0.096 -4.846 1.00 0.00 H new ATOM 647 N ASN A 91 -15.165 1.624 -1.889 1.00 0.00 N ATOM 648 CA ASN A 91 -14.274 1.341 -0.769 1.00 0.00 C ATOM 649 C ASN A 91 -12.836 1.166 -1.249 1.00 0.00 C ATOM 650 O ASN A 91 -12.511 0.189 -1.922 1.00 0.00 O ATOM 651 CB ASN A 91 -14.732 0.081 -0.031 1.00 0.00 C ATOM 652 CG ASN A 91 -16.210 0.116 0.309 1.00 0.00 C ATOM 653 OD1 ASN A 91 -17.054 -0.276 -0.496 1.00 0.00 O ATOM 654 ND2 ASN A 91 -16.530 0.589 1.510 1.00 0.00 N ATOM 0 H ASN A 91 -15.264 0.856 -2.554 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.311 2.189 -0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.524 -0.794 -0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.153 -0.030 0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.508 0.637 1.795 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -15.797 0.903 2.146 1.00 0.00 H new ATOM 661 N GLN A 92 -11.982 2.122 -0.898 1.00 0.00 N ATOM 662 CA GLN A 92 -10.578 2.074 -1.294 1.00 0.00 C ATOM 663 C GLN A 92 -9.674 2.495 -0.141 1.00 0.00 C ATOM 664 O GLN A 92 -10.032 3.359 0.661 1.00 0.00 O ATOM 665 CB GLN A 92 -10.336 2.981 -2.503 1.00 0.00 C ATOM 666 CG GLN A 92 -11.129 2.574 -3.736 1.00 0.00 C ATOM 667 CD GLN A 92 -12.259 3.535 -4.047 1.00 0.00 C ATOM 668 OE1 GLN A 92 -13.257 3.590 -3.327 1.00 0.00 O ATOM 669 NE2 GLN A 92 -12.108 4.298 -5.122 1.00 0.00 N ATOM 0 H GLN A 92 -12.236 2.938 -0.341 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.338 1.046 -1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.595 4.006 -2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.273 2.974 -2.746 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.458 2.519 -4.593 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.538 1.575 -3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.264 4.218 -5.689 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.836 4.964 -5.381 1.00 0.00 H new ATOM 678 N ARG A 93 -8.499 1.878 -0.063 1.00 0.00 N ATOM 679 CA ARG A 93 -7.540 2.189 0.991 1.00 0.00 C ATOM 680 C ARG A 93 -6.306 2.876 0.418 1.00 0.00 C ATOM 681 O ARG A 93 -5.777 2.465 -0.615 1.00 0.00 O ATOM 682 CB ARG A 93 -7.134 0.913 1.732 1.00 0.00 C ATOM 683 CG ARG A 93 -6.218 1.165 2.921 1.00 0.00 C ATOM 684 CD ARG A 93 -5.239 0.019 3.132 1.00 0.00 C ATOM 685 NE ARG A 93 -5.854 -1.286 2.890 1.00 0.00 N ATOM 686 CZ ARG A 93 -6.647 -1.903 3.763 1.00 0.00 C ATOM 687 NH1 ARG A 93 -6.924 -1.340 4.933 1.00 0.00 N ATOM 688 NH2 ARG A 93 -7.166 -3.086 3.465 1.00 0.00 N ATOM 0 H ARG A 93 -8.188 1.160 -0.717 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.018 2.871 1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.033 0.402 2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.634 0.241 1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.665 2.091 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.819 1.300 3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.386 0.145 2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.855 0.054 4.152 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.664 -1.750 2.001 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.528 -0.429 5.167 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.532 -1.818 5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.958 -3.523 2.567 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -7.774 -3.559 4.134 1.00 0.00 H new ATOM 702 N PHE A 94 -5.852 3.926 1.094 1.00 0.00 N ATOM 703 CA PHE A 94 -4.680 4.674 0.652 1.00 0.00 C ATOM 704 C PHE A 94 -3.453 3.771 0.575 1.00 0.00 C ATOM 705 O PHE A 94 -2.950 3.303 1.596 1.00 0.00 O ATOM 706 CB PHE A 94 -4.408 5.843 1.600 1.00 0.00 C ATOM 707 CG PHE A 94 -3.278 6.726 1.155 1.00 0.00 C ATOM 708 CD1 PHE A 94 -3.391 7.491 0.005 1.00 0.00 C ATOM 709 CD2 PHE A 94 -2.103 6.793 1.887 1.00 0.00 C ATOM 710 CE1 PHE A 94 -2.353 8.306 -0.407 1.00 0.00 C ATOM 711 CE2 PHE A 94 -1.062 7.606 1.481 1.00 0.00 C ATOM 712 CZ PHE A 94 -1.187 8.363 0.332 1.00 0.00 C ATOM 0 H PHE A 94 -6.278 4.279 1.951 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.885 5.063 -0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.313 6.444 1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.183 5.451 2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.300 7.450 -0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.000 6.203 2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.453 8.897 -1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.152 7.650 2.061 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.374 8.998 0.012 1.00 0.00 H new ATOM 722 N CYS A 95 -2.976 3.531 -0.643 1.00 0.00 N ATOM 723 CA CYS A 95 -1.806 2.686 -0.852 1.00 0.00 C ATOM 724 C CYS A 95 -0.533 3.527 -0.913 1.00 0.00 C ATOM 725 O CYS A 95 -0.203 4.093 -1.954 1.00 0.00 O ATOM 726 CB CYS A 95 -1.959 1.872 -2.140 1.00 0.00 C ATOM 727 SG CYS A 95 -0.530 0.836 -2.536 1.00 0.00 S ATOM 0 H CYS A 95 -3.382 3.910 -1.499 1.00 0.00 H new ATOM 0 HA CYS A 95 -1.728 2.001 -0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.841 1.237 -2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -2.139 2.556 -2.970 1.00 0.00 H new ATOM 0 HG CYS A 95 -0.436 0.702 -3.826 1.00 0.00 H new ATOM 732 N GLN A 96 0.175 3.598 0.208 1.00 0.00 N ATOM 733 CA GLN A 96 1.412 4.367 0.281 1.00 0.00 C ATOM 734 C GLN A 96 2.451 3.819 -0.692 1.00 0.00 C ATOM 735 O GLN A 96 3.332 4.547 -1.149 1.00 0.00 O ATOM 736 CB GLN A 96 1.967 4.346 1.706 1.00 0.00 C ATOM 737 CG GLN A 96 2.699 5.620 2.093 1.00 0.00 C ATOM 738 CD GLN A 96 3.810 5.376 3.094 1.00 0.00 C ATOM 739 OE1 GLN A 96 4.047 4.242 3.511 1.00 0.00 O ATOM 740 NE2 GLN A 96 4.499 6.441 3.486 1.00 0.00 N ATOM 0 H GLN A 96 -0.086 3.133 1.078 1.00 0.00 H new ATOM 0 HA GLN A 96 1.188 5.397 0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.146 4.182 2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.647 3.500 1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.117 6.080 1.198 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.987 6.330 2.513 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.269 7.363 3.115 1.00 0.00 H new ATOM 0 HE22 GLN A 96 5.259 6.338 4.159 1.00 0.00 H new ATOM 749 N GLN A 97 2.345 2.531 -1.004 1.00 0.00 N ATOM 750 CA GLN A 97 3.276 1.884 -1.922 1.00 0.00 C ATOM 751 C GLN A 97 3.293 2.592 -3.274 1.00 0.00 C ATOM 752 O GLN A 97 4.343 2.724 -3.903 1.00 0.00 O ATOM 753 CB GLN A 97 2.902 0.410 -2.105 1.00 0.00 C ATOM 754 CG GLN A 97 4.061 -0.544 -1.871 1.00 0.00 C ATOM 755 CD GLN A 97 4.150 -1.624 -2.931 1.00 0.00 C ATOM 756 OE1 GLN A 97 3.969 -2.807 -2.643 1.00 0.00 O ATOM 757 NE2 GLN A 97 4.434 -1.222 -4.163 1.00 0.00 N ATOM 0 H GLN A 97 1.622 1.914 -0.634 1.00 0.00 H new ATOM 0 HA GLN A 97 4.275 1.947 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.093 0.161 -1.418 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.520 0.263 -3.115 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.993 0.020 -1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.952 -1.010 -0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.576 -0.231 -4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.510 -1.904 -4.917 1.00 0.00 H new ATOM 766 N CYS A 98 2.125 3.045 -3.716 1.00 0.00 N ATOM 767 CA CYS A 98 2.009 3.740 -4.995 1.00 0.00 C ATOM 768 C CYS A 98 1.483 5.164 -4.809 1.00 0.00 C ATOM 769 O CYS A 98 1.094 5.822 -5.773 1.00 0.00 O ATOM 770 CB CYS A 98 1.086 2.963 -5.935 1.00 0.00 C ATOM 771 SG CYS A 98 1.438 1.193 -6.020 1.00 0.00 S ATOM 0 H CYS A 98 1.246 2.944 -3.209 1.00 0.00 H new ATOM 0 HA CYS A 98 3.005 3.801 -5.434 1.00 0.00 H new ATOM 0 HB2 CYS A 98 0.055 3.102 -5.611 1.00 0.00 H new ATOM 0 HB3 CYS A 98 1.165 3.387 -6.936 1.00 0.00 H new ATOM 0 HG CYS A 98 0.604 0.623 -6.838 1.00 0.00 H new ATOM 776 N SER A 99 1.472 5.637 -3.566 1.00 0.00 N ATOM 777 CA SER A 99 0.999 6.985 -3.259 1.00 0.00 C ATOM 778 C SER A 99 -0.413 7.234 -3.794 1.00 0.00 C ATOM 779 O SER A 99 -0.858 8.380 -3.867 1.00 0.00 O ATOM 780 CB SER A 99 1.961 8.024 -3.838 1.00 0.00 C ATOM 781 OG SER A 99 1.862 9.255 -3.142 1.00 0.00 O ATOM 0 H SER A 99 1.786 5.106 -2.753 1.00 0.00 H new ATOM 0 HA SER A 99 0.964 7.078 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.983 7.650 -3.779 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.740 8.181 -4.894 1.00 0.00 H new ATOM 0 HG SER A 99 2.557 9.298 -2.453 1.00 0.00 H new ATOM 787 N ARG A 100 -1.118 6.168 -4.160 1.00 0.00 N ATOM 788 CA ARG A 100 -2.477 6.296 -4.676 1.00 0.00 C ATOM 789 C ARG A 100 -3.425 5.347 -3.949 1.00 0.00 C ATOM 790 O ARG A 100 -3.010 4.593 -3.070 1.00 0.00 O ATOM 791 CB ARG A 100 -2.509 6.018 -6.181 1.00 0.00 C ATOM 792 CG ARG A 100 -1.839 4.713 -6.576 1.00 0.00 C ATOM 793 CD ARG A 100 -2.066 4.393 -8.045 1.00 0.00 C ATOM 794 NE ARG A 100 -3.456 4.039 -8.321 1.00 0.00 N ATOM 795 CZ ARG A 100 -3.855 3.405 -9.420 1.00 0.00 C ATOM 796 NH1 ARG A 100 -2.973 3.049 -10.348 1.00 0.00 N ATOM 797 NH2 ARG A 100 -5.138 3.122 -9.594 1.00 0.00 N ATOM 0 H ARG A 100 -0.773 5.210 -4.109 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.809 7.319 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.546 5.999 -6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.020 6.840 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.769 4.777 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.229 3.902 -5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.784 5.254 -8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.417 3.569 -8.341 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.162 4.293 -7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.984 3.262 -10.220 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.285 2.563 -11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -5.820 3.390 -8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.443 2.636 -10.437 1.00 0.00 H new ATOM 811 N PHE A 101 -4.702 5.396 -4.317 1.00 0.00 N ATOM 812 CA PHE A 101 -5.707 4.543 -3.693 1.00 0.00 C ATOM 813 C PHE A 101 -5.946 3.282 -4.517 1.00 0.00 C ATOM 814 O PHE A 101 -5.689 3.257 -5.722 1.00 0.00 O ATOM 815 CB PHE A 101 -7.020 5.311 -3.524 1.00 0.00 C ATOM 816 CG PHE A 101 -7.067 6.154 -2.283 1.00 0.00 C ATOM 817 CD1 PHE A 101 -6.564 7.446 -2.288 1.00 0.00 C ATOM 818 CD2 PHE A 101 -7.614 5.657 -1.112 1.00 0.00 C ATOM 819 CE1 PHE A 101 -6.606 8.225 -1.147 1.00 0.00 C ATOM 820 CE2 PHE A 101 -7.657 6.432 0.033 1.00 0.00 C ATOM 821 CZ PHE A 101 -7.154 7.717 0.014 1.00 0.00 C ATOM 0 H PHE A 101 -5.064 6.016 -5.042 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.335 4.246 -2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.172 5.950 -4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.847 4.601 -3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.135 7.848 -3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.012 4.653 -1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -6.211 9.230 -1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.084 6.032 0.941 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.189 8.325 0.906 1.00 0.00 H new ATOM 831 N HIS A 102 -6.442 2.239 -3.860 1.00 0.00 N ATOM 832 CA HIS A 102 -6.719 0.972 -4.528 1.00 0.00 C ATOM 833 C HIS A 102 -8.002 0.345 -3.991 1.00 0.00 C ATOM 834 O HIS A 102 -8.398 0.597 -2.852 1.00 0.00 O ATOM 835 CB HIS A 102 -5.548 0.005 -4.344 1.00 0.00 C ATOM 836 CG HIS A 102 -4.320 0.399 -5.103 1.00 0.00 C ATOM 837 ND1 HIS A 102 -4.364 1.101 -6.289 1.00 0.00 N ATOM 838 CD2 HIS A 102 -3.009 0.189 -4.839 1.00 0.00 C ATOM 839 CE1 HIS A 102 -3.132 1.306 -6.722 1.00 0.00 C ATOM 840 NE2 HIS A 102 -2.293 0.763 -5.860 1.00 0.00 N ATOM 0 H HIS A 102 -6.661 2.246 -2.864 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.850 1.172 -5.592 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -5.304 -0.060 -3.284 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.857 -0.991 -4.661 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -2.602 -0.332 -3.985 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -2.859 1.829 -7.627 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -1.276 0.769 -5.940 1.00 0.00 H new ATOM 848 N ASP A 103 -8.647 -0.472 -4.815 1.00 0.00 N ATOM 849 CA ASP A 103 -9.885 -1.135 -4.421 1.00 0.00 C ATOM 850 C ASP A 103 -9.650 -2.060 -3.231 1.00 0.00 C ATOM 851 O ASP A 103 -8.539 -2.545 -3.018 1.00 0.00 O ATOM 852 CB ASP A 103 -10.459 -1.930 -5.594 1.00 0.00 C ATOM 853 CG ASP A 103 -11.946 -2.186 -5.448 1.00 0.00 C ATOM 854 OD1 ASP A 103 -12.699 -1.209 -5.253 1.00 0.00 O ATOM 855 OD2 ASP A 103 -12.357 -3.362 -5.528 1.00 0.00 O ATOM 0 H ASP A 103 -8.334 -0.692 -5.760 1.00 0.00 H new ATOM 0 HA ASP A 103 -10.601 -0.368 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.276 -1.387 -6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.936 -2.883 -5.674 1.00 0.00 H new ATOM 860 N LEU A 104 -10.705 -2.301 -2.458 1.00 0.00 N ATOM 861 CA LEU A 104 -10.614 -3.170 -1.290 1.00 0.00 C ATOM 862 C LEU A 104 -10.138 -4.566 -1.682 1.00 0.00 C ATOM 863 O LEU A 104 -9.525 -5.271 -0.881 1.00 0.00 O ATOM 864 CB LEU A 104 -11.972 -3.254 -0.586 1.00 0.00 C ATOM 865 CG LEU A 104 -12.014 -2.639 0.815 1.00 0.00 C ATOM 866 CD1 LEU A 104 -13.404 -2.773 1.413 1.00 0.00 C ATOM 867 CD2 LEU A 104 -10.977 -3.297 1.714 1.00 0.00 C ATOM 0 H LEU A 104 -11.632 -1.907 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.883 -2.741 -0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.717 -2.757 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.263 -4.302 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.777 -1.578 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.416 -2.331 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.124 -2.257 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.671 -3.828 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.019 -2.849 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.185 -4.364 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.983 -3.150 1.291 1.00 0.00 H new ATOM 879 N GLN A 105 -10.423 -4.957 -2.921 1.00 0.00 N ATOM 880 CA GLN A 105 -10.025 -6.269 -3.420 1.00 0.00 C ATOM 881 C GLN A 105 -8.521 -6.328 -3.689 1.00 0.00 C ATOM 882 O GLN A 105 -7.976 -7.397 -3.968 1.00 0.00 O ATOM 883 CB GLN A 105 -10.796 -6.604 -4.698 1.00 0.00 C ATOM 884 CG GLN A 105 -12.073 -7.389 -4.450 1.00 0.00 C ATOM 885 CD GLN A 105 -12.844 -7.668 -5.725 1.00 0.00 C ATOM 886 OE1 GLN A 105 -14.047 -7.418 -5.805 1.00 0.00 O ATOM 887 NE2 GLN A 105 -12.152 -8.188 -6.733 1.00 0.00 N ATOM 0 H GLN A 105 -10.928 -4.384 -3.597 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.262 -7.005 -2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -11.044 -5.678 -5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -10.150 -7.178 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -11.826 -8.334 -3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -12.708 -6.833 -3.760 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.156 -8.379 -6.623 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.617 -8.396 -7.617 1.00 0.00 H new ATOM 896 N GLU A 106 -7.851 -5.179 -3.604 1.00 0.00 N ATOM 897 CA GLU A 106 -6.413 -5.116 -3.841 1.00 0.00 C ATOM 898 C GLU A 106 -5.637 -5.178 -2.528 1.00 0.00 C ATOM 899 O GLU A 106 -4.542 -4.627 -2.417 1.00 0.00 O ATOM 900 CB GLU A 106 -6.058 -3.834 -4.596 1.00 0.00 C ATOM 901 CG GLU A 106 -6.523 -3.831 -6.042 1.00 0.00 C ATOM 902 CD GLU A 106 -6.055 -2.606 -6.805 1.00 0.00 C ATOM 903 OE1 GLU A 106 -4.961 -2.094 -6.489 1.00 0.00 O ATOM 904 OE2 GLU A 106 -6.783 -2.159 -7.715 1.00 0.00 O ATOM 0 H GLU A 106 -8.281 -4.283 -3.373 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.133 -5.978 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.501 -2.983 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.977 -3.695 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.153 -4.727 -6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.612 -3.877 -6.069 1.00 0.00 H new ATOM 911 N PHE A 107 -6.209 -5.857 -1.538 1.00 0.00 N ATOM 912 CA PHE A 107 -5.567 -5.995 -0.236 1.00 0.00 C ATOM 913 C PHE A 107 -5.865 -7.363 0.372 1.00 0.00 C ATOM 914 O PHE A 107 -6.574 -7.471 1.371 1.00 0.00 O ATOM 915 CB PHE A 107 -6.040 -4.889 0.712 1.00 0.00 C ATOM 916 CG PHE A 107 -5.973 -3.512 0.114 1.00 0.00 C ATOM 917 CD1 PHE A 107 -4.752 -2.934 -0.197 1.00 0.00 C ATOM 918 CD2 PHE A 107 -7.132 -2.794 -0.132 1.00 0.00 C ATOM 919 CE1 PHE A 107 -4.689 -1.665 -0.744 1.00 0.00 C ATOM 920 CE2 PHE A 107 -7.075 -1.526 -0.678 1.00 0.00 C ATOM 921 CZ PHE A 107 -5.853 -0.961 -0.984 1.00 0.00 C ATOM 0 H PHE A 107 -7.115 -6.320 -1.613 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.490 -5.904 -0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -7.067 -5.095 1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.432 -4.913 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.840 -3.481 -0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -8.091 -3.230 0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.732 -1.226 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -7.986 -0.977 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.807 0.030 -1.410 1.00 0.00 H new ATOM 931 N ASP A 108 -5.318 -8.408 -0.244 1.00 0.00 N ATOM 932 CA ASP A 108 -5.527 -9.771 0.233 1.00 0.00 C ATOM 933 C ASP A 108 -5.039 -9.929 1.671 1.00 0.00 C ATOM 934 O ASP A 108 -4.025 -9.350 2.059 1.00 0.00 O ATOM 935 CB ASP A 108 -4.800 -10.765 -0.674 1.00 0.00 C ATOM 936 CG ASP A 108 -5.400 -12.155 -0.606 1.00 0.00 C ATOM 937 OD1 ASP A 108 -6.609 -12.267 -0.306 1.00 0.00 O ATOM 938 OD2 ASP A 108 -4.665 -13.135 -0.854 1.00 0.00 O ATOM 0 H ASP A 108 -4.728 -8.337 -1.073 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.597 -9.977 0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -4.835 -10.407 -1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.749 -10.812 -0.389 1.00 0.00 H new ATOM 943 N GLU A 109 -5.770 -10.715 2.454 1.00 0.00 N ATOM 944 CA GLU A 109 -5.414 -10.951 3.849 1.00 0.00 C ATOM 945 C GLU A 109 -5.361 -9.640 4.626 1.00 0.00 C ATOM 946 O GLU A 109 -5.635 -8.570 4.082 1.00 0.00 O ATOM 947 CB GLU A 109 -4.065 -11.665 3.939 1.00 0.00 C ATOM 948 CG GLU A 109 -4.165 -13.174 3.794 1.00 0.00 C ATOM 949 CD GLU A 109 -2.913 -13.890 4.263 1.00 0.00 C ATOM 950 OE1 GLU A 109 -2.219 -13.351 5.152 1.00 0.00 O ATOM 951 OE2 GLU A 109 -2.626 -14.988 3.744 1.00 0.00 O ATOM 0 H GLU A 109 -6.613 -11.200 2.146 1.00 0.00 H new ATOM 0 HA GLU A 109 -6.183 -11.584 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.405 -11.277 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.602 -11.430 4.898 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -5.020 -13.534 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.352 -13.423 2.749 1.00 0.00 H new ATOM 958 N ALA A 110 -5.004 -9.732 5.904 1.00 0.00 N ATOM 959 CA ALA A 110 -4.913 -8.553 6.757 1.00 0.00 C ATOM 960 C ALA A 110 -3.697 -7.708 6.395 1.00 0.00 C ATOM 961 O ALA A 110 -2.769 -7.560 7.192 1.00 0.00 O ATOM 962 CB ALA A 110 -4.859 -8.966 8.221 1.00 0.00 C ATOM 0 H ALA A 110 -4.774 -10.609 6.370 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.804 -7.946 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.791 -8.077 8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.762 -9.522 8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.986 -9.596 8.389 1.00 0.00 H new ATOM 968 N LYS A 111 -3.707 -7.154 5.187 1.00 0.00 N ATOM 969 CA LYS A 111 -2.604 -6.324 4.716 1.00 0.00 C ATOM 970 C LYS A 111 -3.109 -4.963 4.251 1.00 0.00 C ATOM 971 O LYS A 111 -3.990 -4.875 3.396 1.00 0.00 O ATOM 972 CB LYS A 111 -1.863 -7.023 3.575 1.00 0.00 C ATOM 973 CG LYS A 111 -1.459 -8.452 3.896 1.00 0.00 C ATOM 974 CD LYS A 111 -0.426 -8.974 2.908 1.00 0.00 C ATOM 975 CE LYS A 111 0.966 -8.459 3.234 1.00 0.00 C ATOM 976 NZ LYS A 111 1.770 -9.466 3.980 1.00 0.00 N ATOM 0 H LYS A 111 -4.467 -7.265 4.516 1.00 0.00 H new ATOM 0 HA LYS A 111 -1.915 -6.172 5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.497 -7.024 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.970 -6.449 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.054 -8.498 4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -2.340 -9.094 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -0.425 -10.064 2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -0.701 -8.670 1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.481 -8.195 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.886 -7.547 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.713 -9.076 4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.292 -9.699 4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.868 -10.327 3.405 1.00 0.00 H new ATOM 990 N ARG A 112 -2.546 -3.903 4.822 1.00 0.00 N ATOM 991 CA ARG A 112 -2.941 -2.544 4.467 1.00 0.00 C ATOM 992 C ARG A 112 -1.986 -1.951 3.437 1.00 0.00 C ATOM 993 O ARG A 112 -1.625 -0.777 3.514 1.00 0.00 O ATOM 994 CB ARG A 112 -2.977 -1.660 5.715 1.00 0.00 C ATOM 995 CG ARG A 112 -3.659 -2.315 6.906 1.00 0.00 C ATOM 996 CD ARG A 112 -4.218 -1.278 7.866 1.00 0.00 C ATOM 997 NE ARG A 112 -4.485 -1.843 9.188 1.00 0.00 N ATOM 998 CZ ARG A 112 -3.544 -2.058 10.105 1.00 0.00 C ATOM 999 NH1 ARG A 112 -2.276 -1.761 9.848 1.00 0.00 N ATOM 1000 NH2 ARG A 112 -3.873 -2.573 11.283 1.00 0.00 N ATOM 0 H ARG A 112 -1.816 -3.958 5.532 1.00 0.00 H new ATOM 0 HA ARG A 112 -3.938 -2.584 4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.957 -1.395 5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.494 -0.731 5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -4.465 -2.960 6.556 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.946 -2.951 7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.512 -0.453 7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -5.139 -0.864 7.456 1.00 0.00 H new ATOM 0 HE ARG A 112 -5.448 -2.086 9.421 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.018 -1.366 8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.560 -1.928 10.555 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.846 -2.804 11.485 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.153 -2.738 11.986 1.00 0.00 H new ATOM 1014 N SER A 113 -1.581 -2.770 2.471 1.00 0.00 N ATOM 1015 CA SER A 113 -0.667 -2.323 1.426 1.00 0.00 C ATOM 1016 C SER A 113 -0.911 -3.078 0.124 1.00 0.00 C ATOM 1017 O SER A 113 -1.672 -4.046 0.087 1.00 0.00 O ATOM 1018 CB SER A 113 0.784 -2.510 1.873 1.00 0.00 C ATOM 1019 OG SER A 113 0.875 -2.620 3.283 1.00 0.00 O ATOM 0 H SER A 113 -1.871 -3.745 2.390 1.00 0.00 H new ATOM 0 HA SER A 113 -0.853 -1.264 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.198 -3.405 1.408 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.384 -1.667 1.532 1.00 0.00 H new ATOM 0 HG SER A 113 1.812 -2.740 3.542 1.00 0.00 H new ATOM 1025 N CYS A 114 -0.257 -2.629 -0.942 1.00 0.00 N ATOM 1026 CA CYS A 114 -0.396 -3.256 -2.250 1.00 0.00 C ATOM 1027 C CYS A 114 0.019 -4.723 -2.200 1.00 0.00 C ATOM 1028 O CYS A 114 0.282 -5.266 -1.126 1.00 0.00 O ATOM 1029 CB CYS A 114 0.450 -2.504 -3.279 1.00 0.00 C ATOM 1030 SG CYS A 114 -0.338 -2.306 -4.893 1.00 0.00 S ATOM 0 H CYS A 114 0.377 -1.830 -0.925 1.00 0.00 H new ATOM 0 HA CYS A 114 -1.445 -3.211 -2.544 1.00 0.00 H new ATOM 0 HB2 CYS A 114 0.690 -1.518 -2.882 1.00 0.00 H new ATOM 0 HB3 CYS A 114 1.394 -3.033 -3.412 1.00 0.00 H new ATOM 0 HG CYS A 114 0.459 -1.656 -5.688 1.00 0.00 H new ATOM 1035 N ARG A 115 0.077 -5.363 -3.364 1.00 0.00 N ATOM 1036 CA ARG A 115 0.461 -6.769 -3.446 1.00 0.00 C ATOM 1037 C ARG A 115 1.399 -7.018 -4.624 1.00 0.00 C ATOM 1038 O ARG A 115 1.438 -8.120 -5.173 1.00 0.00 O ATOM 1039 CB ARG A 115 -0.783 -7.649 -3.575 1.00 0.00 C ATOM 1040 CG ARG A 115 -0.519 -9.119 -3.291 1.00 0.00 C ATOM 1041 CD ARG A 115 -1.778 -9.829 -2.814 1.00 0.00 C ATOM 1042 NE ARG A 115 -1.619 -11.282 -2.812 1.00 0.00 N ATOM 1043 CZ ARG A 115 -1.711 -12.038 -3.905 1.00 0.00 C ATOM 1044 NH1 ARG A 115 -1.957 -11.485 -5.084 1.00 0.00 N ATOM 1045 NH2 ARG A 115 -1.556 -13.351 -3.815 1.00 0.00 N ATOM 0 H ARG A 115 -0.137 -4.931 -4.263 1.00 0.00 H new ATOM 0 HA ARG A 115 0.991 -7.026 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -1.548 -7.286 -2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -1.186 -7.549 -4.583 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.146 -9.604 -4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.260 -9.210 -2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -2.027 -9.490 -1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -2.614 -9.557 -3.458 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.427 -11.743 -1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -2.077 -10.475 -5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.026 -12.070 -5.917 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -1.367 -13.781 -2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.626 -13.931 -4.651 1.00 0.00 H new ATOM 1059 N ARG A 116 2.153 -5.994 -5.004 1.00 0.00 N ATOM 1060 CA ARG A 116 3.093 -6.105 -6.113 1.00 0.00 C ATOM 1061 C ARG A 116 4.461 -6.559 -5.622 1.00 0.00 C ATOM 1062 O ARG A 116 4.918 -7.657 -5.941 1.00 0.00 O ATOM 1063 CB ARG A 116 3.217 -4.765 -6.841 1.00 0.00 C ATOM 1064 CG ARG A 116 3.485 -4.905 -8.331 1.00 0.00 C ATOM 1065 CD ARG A 116 3.183 -3.612 -9.074 1.00 0.00 C ATOM 1066 NE ARG A 116 3.471 -3.722 -10.502 1.00 0.00 N ATOM 1067 CZ ARG A 116 4.693 -3.634 -11.021 1.00 0.00 C ATOM 1068 NH1 ARG A 116 5.743 -3.435 -10.235 1.00 0.00 N ATOM 1069 NH2 ARG A 116 4.866 -3.746 -12.331 1.00 0.00 N ATOM 0 H ARG A 116 2.132 -5.076 -4.560 1.00 0.00 H new ATOM 0 HA ARG A 116 2.710 -6.853 -6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 116 2.298 -4.196 -6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 116 4.023 -4.188 -6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 116 4.527 -5.183 -8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 116 2.874 -5.711 -8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 116 2.134 -3.350 -8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 116 3.773 -2.802 -8.646 1.00 0.00 H new ATOM 0 HE ARG A 116 2.689 -3.875 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 116 5.616 -3.349 -9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 116 6.677 -3.368 -10.639 1.00 0.00 H new ATOM 0 HH21 ARG A 116 4.062 -3.900 -12.940 1.00 0.00 H new ATOM 0 HH22 ARG A 116 5.803 -3.679 -12.729 1.00 0.00 H new ATOM 1083 N ARG A 117 5.108 -5.704 -4.842 1.00 0.00 N ATOM 1084 CA ARG A 117 6.426 -6.005 -4.297 1.00 0.00 C ATOM 1085 C ARG A 117 6.329 -6.391 -2.824 1.00 0.00 C ATOM 1086 O ARG A 117 7.144 -7.163 -2.319 1.00 0.00 O ATOM 1087 CB ARG A 117 7.356 -4.803 -4.461 1.00 0.00 C ATOM 1088 CG ARG A 117 6.754 -3.496 -3.973 1.00 0.00 C ATOM 1089 CD ARG A 117 7.829 -2.529 -3.499 1.00 0.00 C ATOM 1090 NE ARG A 117 7.589 -1.168 -3.974 1.00 0.00 N ATOM 1091 CZ ARG A 117 8.404 -0.144 -3.732 1.00 0.00 C ATOM 1092 NH1 ARG A 117 9.511 -0.320 -3.021 1.00 0.00 N ATOM 1093 NH2 ARG A 117 8.111 1.062 -4.203 1.00 0.00 N ATOM 0 H ARG A 117 4.740 -4.792 -4.571 1.00 0.00 H new ATOM 0 HA ARG A 117 6.836 -6.850 -4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.281 -4.993 -3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.621 -4.700 -5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.179 -3.037 -4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.059 -3.697 -3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.864 -2.532 -2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.803 -2.869 -3.850 1.00 0.00 H new ATOM 0 HE ARG A 117 6.748 -0.993 -4.523 1.00 0.00 H new ATOM 0 HH11 ARG A 117 9.741 -1.244 -2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 117 10.131 0.469 -2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.262 1.203 -4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.735 1.847 -4.018 1.00 0.00 H new ATOM 1107 N LEU A 118 5.328 -5.847 -2.138 1.00 0.00 N ATOM 1108 CA LEU A 118 5.125 -6.133 -0.724 1.00 0.00 C ATOM 1109 C LEU A 118 4.940 -7.630 -0.492 1.00 0.00 C ATOM 1110 O LEU A 118 5.451 -8.184 0.482 1.00 0.00 O ATOM 1111 CB LEU A 118 3.904 -5.371 -0.199 1.00 0.00 C ATOM 1112 CG LEU A 118 4.033 -4.849 1.233 1.00 0.00 C ATOM 1113 CD1 LEU A 118 4.139 -6.006 2.215 1.00 0.00 C ATOM 1114 CD2 LEU A 118 5.238 -3.929 1.359 1.00 0.00 C ATOM 0 H LEU A 118 4.645 -5.205 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 118 6.012 -5.806 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.709 -4.527 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.035 -6.026 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 118 3.137 -4.276 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.230 -5.616 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.246 -6.627 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.017 -6.606 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 118 5.314 -3.567 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.143 -4.478 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.121 -3.082 0.683 1.00 0.00 H new ATOM 1126 N ALA A 119 4.210 -8.277 -1.392 1.00 0.00 N ATOM 1127 CA ALA A 119 3.959 -9.709 -1.287 1.00 0.00 C ATOM 1128 C ALA A 119 5.250 -10.505 -1.451 1.00 0.00 C ATOM 1129 O ALA A 119 6.343 -9.941 -1.448 1.00 0.00 O ATOM 1130 CB ALA A 119 2.933 -10.143 -2.323 1.00 0.00 C ATOM 0 H ALA A 119 3.781 -7.832 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 119 3.561 -9.912 -0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.756 -11.215 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.999 -9.605 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.308 -9.920 -3.322 1.00 0.00 H new