USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 443 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 110 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 141 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 104 CYS SG : rot -137:sc= -0.0364 USER MOD Set 2.2: A 107 ASN : amide:sc= -1.79 K(o=-1.8,f=0.65) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= -0.0176 (180deg=-0.147) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 168:sc= -0.239 USER MOD Single : A 96 HIS : no HD1:sc= -0.393 X(o=-0.39,f=0.058) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= -0.0146 (180deg=-0.167) USER MOD Single : A 106 HIS : no HD1:sc= -5.12! K(o=-5.1!,f=-2.9) USER MOD Single : A 108 CYS SG : rot -179:sc= 0.112 USER MOD Single : A 109 SER OG : rot -165:sc= 1.46 USER MOD Single : A 112 GLN : amide:sc= -0.993 K(o=-0.99,f=-0.27) USER MOD Single : A 113 THR OG1 : rot 122:sc= 1.32 USER MOD Single : A 114 LYS NZ :NH3+ 167:sc= -0.0103 (180deg=-0.246) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.8!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl -130:sc= -0.175 (180deg=-0.687) USER MOD Single : A 135 ASN : amide:sc= 0.354 K(o=0.35,f=-0.57) USER MOD Single : A 139 LYS NZ :NH3+ 168:sc= -0.0259 (180deg=-0.173) USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 83 -30.211 0.853 -2.957 1.00 0.00 N ATOM 2 CA GLN A 83 -31.206 1.955 -2.940 1.00 0.00 C ATOM 3 C GLN A 83 -30.518 3.314 -3.007 1.00 0.00 C ATOM 4 O GLN A 83 -30.959 4.207 -3.731 1.00 0.00 O ATOM 5 CB GLN A 83 -32.063 1.873 -1.674 1.00 0.00 C ATOM 6 CG GLN A 83 -33.129 2.953 -1.592 1.00 0.00 C ATOM 7 CD GLN A 83 -33.856 2.951 -0.262 1.00 0.00 C ATOM 8 OE1 GLN A 83 -33.287 2.591 0.769 1.00 0.00 O ATOM 9 NE2 GLN A 83 -35.121 3.355 -0.278 1.00 0.00 N ATOM 0 HA GLN A 83 -31.844 1.846 -3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -32.544 0.896 -1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -31.415 1.946 -0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -32.667 3.928 -1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -33.850 2.809 -2.397 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -35.553 3.645 -1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -35.661 3.376 0.587 1.00 0.00 H new ATOM 18 N GLU A 84 -29.439 3.467 -2.247 1.00 0.00 N ATOM 19 CA GLU A 84 -28.695 4.721 -2.223 1.00 0.00 C ATOM 20 C GLU A 84 -27.392 4.598 -3.008 1.00 0.00 C ATOM 21 O GLU A 84 -27.222 5.228 -4.051 1.00 0.00 O ATOM 22 CB GLU A 84 -28.397 5.133 -0.778 1.00 0.00 C ATOM 23 CG GLU A 84 -27.938 6.577 -0.634 1.00 0.00 C ATOM 24 CD GLU A 84 -26.615 6.844 -1.324 1.00 0.00 C ATOM 25 OE1 GLU A 84 -25.561 6.645 -0.684 1.00 0.00 O ATOM 26 OE2 GLU A 84 -26.632 7.253 -2.505 1.00 0.00 O ATOM 0 H GLU A 84 -29.061 2.740 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 84 -29.310 5.488 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -29.293 4.984 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -27.628 4.475 -0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -28.699 7.238 -1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -27.846 6.821 0.424 1.00 0.00 H new ATOM 33 N GLN A 85 -26.475 3.782 -2.497 1.00 0.00 N ATOM 34 CA GLN A 85 -25.185 3.579 -3.148 1.00 0.00 C ATOM 35 C GLN A 85 -24.382 4.875 -3.172 1.00 0.00 C ATOM 36 O GLN A 85 -24.729 5.820 -3.881 1.00 0.00 O ATOM 37 CB GLN A 85 -25.383 3.061 -4.573 1.00 0.00 C ATOM 38 CG GLN A 85 -24.079 2.783 -5.306 1.00 0.00 C ATOM 39 CD GLN A 85 -24.299 2.334 -6.738 1.00 0.00 C ATOM 40 OE1 GLN A 85 -25.276 2.721 -7.379 1.00 0.00 O ATOM 41 NE2 GLN A 85 -23.389 1.511 -7.247 1.00 0.00 N ATOM 0 H GLN A 85 -26.601 3.251 -1.635 1.00 0.00 H new ATOM 0 HA GLN A 85 -24.629 2.837 -2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -25.974 2.145 -4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -25.960 3.792 -5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -23.465 3.684 -5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -23.522 2.015 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -22.594 1.216 -6.680 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -23.485 1.175 -8.205 1.00 0.00 H new ATOM 50 N LYS A 86 -23.305 4.914 -2.392 1.00 0.00 N ATOM 51 CA LYS A 86 -22.456 6.097 -2.324 1.00 0.00 C ATOM 52 C LYS A 86 -21.209 5.927 -3.187 1.00 0.00 C ATOM 53 O LYS A 86 -21.052 6.600 -4.206 1.00 0.00 O ATOM 54 CB LYS A 86 -22.053 6.378 -0.876 1.00 0.00 C ATOM 55 CG LYS A 86 -21.226 7.643 -0.711 1.00 0.00 C ATOM 56 CD LYS A 86 -20.838 7.868 0.741 1.00 0.00 C ATOM 57 CE LYS A 86 -22.060 7.932 1.641 1.00 0.00 C ATOM 58 NZ LYS A 86 -22.999 9.014 1.232 1.00 0.00 N ATOM 0 H LYS A 86 -23.001 4.141 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.026 6.943 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.953 6.460 -0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -21.485 5.530 -0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -20.326 7.573 -1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -21.793 8.500 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.183 7.063 1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.272 8.796 0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -22.579 6.974 1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.743 8.097 2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -23.748 9.113 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -22.480 9.911 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -23.426 8.775 0.314 1.00 0.00 H new ATOM 72 N GLY A 87 -20.325 5.023 -2.776 1.00 0.00 N ATOM 73 CA GLY A 87 -19.106 4.788 -3.526 1.00 0.00 C ATOM 74 C GLY A 87 -18.484 3.442 -3.219 1.00 0.00 C ATOM 75 O GLY A 87 -19.190 2.459 -2.993 1.00 0.00 O ATOM 0 H GLY A 87 -20.431 4.450 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -19.322 4.849 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.387 5.576 -3.301 1.00 0.00 H new ATOM 79 N ASP A 88 -17.156 3.397 -3.210 1.00 0.00 N ATOM 80 CA ASP A 88 -16.436 2.162 -2.930 1.00 0.00 C ATOM 81 C ASP A 88 -15.328 2.398 -1.910 1.00 0.00 C ATOM 82 O ASP A 88 -14.461 3.250 -2.102 1.00 0.00 O ATOM 83 CB ASP A 88 -15.846 1.589 -4.221 1.00 0.00 C ATOM 84 CG ASP A 88 -14.860 2.535 -4.875 1.00 0.00 C ATOM 85 OD1 ASP A 88 -15.293 3.366 -5.701 1.00 0.00 O ATOM 86 OD2 ASP A 88 -13.653 2.446 -4.560 1.00 0.00 O ATOM 0 H ASP A 88 -16.557 4.202 -3.394 1.00 0.00 H new ATOM 0 HA ASP A 88 -17.142 1.445 -2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.348 0.644 -4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.653 1.369 -4.920 1.00 0.00 H new ATOM 91 N ALA A 89 -15.367 1.634 -0.823 1.00 0.00 N ATOM 92 CA ALA A 89 -14.371 1.752 0.236 1.00 0.00 C ATOM 93 C ALA A 89 -13.010 1.248 -0.237 1.00 0.00 C ATOM 94 O ALA A 89 -12.899 0.669 -1.317 1.00 0.00 O ATOM 95 CB ALA A 89 -14.830 0.980 1.465 1.00 0.00 C ATOM 0 H ALA A 89 -16.080 0.925 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.265 2.805 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.082 1.072 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.779 1.386 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -14.958 -0.071 1.207 1.00 0.00 H new ATOM 101 N PRO A 90 -11.955 1.461 0.569 1.00 0.00 N ATOM 102 CA PRO A 90 -10.601 1.035 0.239 1.00 0.00 C ATOM 103 C PRO A 90 -10.375 -0.427 0.601 1.00 0.00 C ATOM 104 O PRO A 90 -10.794 -0.873 1.666 1.00 0.00 O ATOM 105 CB PRO A 90 -9.714 1.947 1.101 1.00 0.00 C ATOM 106 CG PRO A 90 -10.646 2.785 1.927 1.00 0.00 C ATOM 107 CD PRO A 90 -11.989 2.119 1.874 1.00 0.00 C ATOM 0 HA PRO A 90 -10.389 1.112 -0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.054 1.358 1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.078 2.574 0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.291 2.859 2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.702 3.801 1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.122 1.405 2.687 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.804 2.839 1.946 1.00 0.00 H new ATOM 115 N THR A 91 -9.705 -1.169 -0.277 1.00 0.00 N ATOM 116 CA THR A 91 -9.460 -2.586 -0.030 1.00 0.00 C ATOM 117 C THR A 91 -8.042 -3.013 -0.396 1.00 0.00 C ATOM 118 O THR A 91 -7.429 -2.472 -1.316 1.00 0.00 O ATOM 119 CB THR A 91 -10.456 -3.465 -0.806 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.676 -2.925 -2.115 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.776 -3.566 -0.061 1.00 0.00 C ATOM 0 H THR A 91 -9.326 -0.817 -1.156 1.00 0.00 H new ATOM 0 HA THR A 91 -9.594 -2.727 1.043 1.00 0.00 H new ATOM 0 HB THR A 91 -10.031 -4.464 -0.898 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.310 -3.493 -2.601 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.466 -4.192 -0.627 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.607 -4.008 0.921 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.204 -2.570 0.058 1.00 0.00 H new ATOM 129 N CYS A 92 -7.538 -3.999 0.343 1.00 0.00 N ATOM 130 CA CYS A 92 -6.203 -4.544 0.117 1.00 0.00 C ATOM 131 C CYS A 92 -6.168 -5.365 -1.171 1.00 0.00 C ATOM 132 O CYS A 92 -7.090 -6.132 -1.448 1.00 0.00 O ATOM 133 CB CYS A 92 -5.801 -5.431 1.302 1.00 0.00 C ATOM 134 SG CYS A 92 -4.091 -6.024 1.251 1.00 0.00 S ATOM 0 H CYS A 92 -8.042 -4.441 1.112 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.501 -3.716 0.023 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.951 -4.871 2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.469 -6.291 1.339 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.776 -6.541 2.402 1.00 0.00 H new ATOM 139 N GLY A 93 -5.101 -5.207 -1.951 1.00 0.00 N ATOM 140 CA GLY A 93 -4.974 -5.957 -3.191 1.00 0.00 C ATOM 141 C GLY A 93 -4.366 -7.335 -2.978 1.00 0.00 C ATOM 142 O GLY A 93 -3.990 -8.010 -3.936 1.00 0.00 O ATOM 0 H GLY A 93 -4.325 -4.576 -1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.957 -6.064 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.356 -5.395 -3.890 1.00 0.00 H new ATOM 146 N ILE A 94 -4.273 -7.749 -1.717 1.00 0.00 N ATOM 147 CA ILE A 94 -3.712 -9.039 -1.361 1.00 0.00 C ATOM 148 C ILE A 94 -4.732 -9.880 -0.592 1.00 0.00 C ATOM 149 O ILE A 94 -5.050 -11.002 -0.986 1.00 0.00 O ATOM 150 CB ILE A 94 -2.437 -8.859 -0.507 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.350 -8.175 -1.328 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.938 -10.197 0.016 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.482 -6.668 -1.380 1.00 0.00 C ATOM 0 H ILE A 94 -4.585 -7.197 -0.918 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.452 -9.558 -2.284 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.685 -8.232 0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.376 -8.431 -0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.374 -8.568 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.040 -10.042 0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.710 -10.657 0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.706 -10.852 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.674 -6.253 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.440 -6.402 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.427 -6.263 -0.370 1.00 0.00 H new ATOM 165 N CYS A 95 -5.238 -9.325 0.504 1.00 0.00 N ATOM 166 CA CYS A 95 -6.219 -10.017 1.334 1.00 0.00 C ATOM 167 C CYS A 95 -7.632 -9.772 0.820 1.00 0.00 C ATOM 168 O CYS A 95 -8.540 -10.568 1.062 1.00 0.00 O ATOM 169 CB CYS A 95 -6.127 -9.541 2.788 1.00 0.00 C ATOM 170 SG CYS A 95 -4.451 -9.080 3.330 1.00 0.00 S ATOM 0 H CYS A 95 -4.985 -8.396 0.839 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.999 -11.083 1.286 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.786 -8.682 2.918 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.501 -10.331 3.439 1.00 0.00 H new ATOM 175 N HIS A 96 -7.810 -8.663 0.110 1.00 0.00 N ATOM 176 CA HIS A 96 -9.113 -8.302 -0.431 1.00 0.00 C ATOM 177 C HIS A 96 -10.152 -8.206 0.682 1.00 0.00 C ATOM 178 O HIS A 96 -11.353 -8.314 0.433 1.00 0.00 O ATOM 179 CB HIS A 96 -9.558 -9.326 -1.476 1.00 0.00 C ATOM 180 CG HIS A 96 -8.681 -9.362 -2.689 1.00 0.00 C ATOM 181 ND1 HIS A 96 -9.069 -8.861 -3.914 1.00 0.00 N ATOM 182 CD2 HIS A 96 -7.427 -9.845 -2.862 1.00 0.00 C ATOM 183 CE1 HIS A 96 -8.092 -9.035 -4.787 1.00 0.00 C ATOM 184 NE2 HIS A 96 -7.086 -9.628 -4.173 1.00 0.00 N ATOM 0 H HIS A 96 -7.066 -7.998 -0.104 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.025 -7.326 -0.908 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.574 -10.316 -1.019 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.579 -9.100 -1.783 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -6.811 -10.313 -2.109 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -8.114 -8.742 -5.826 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -6.198 -9.884 -4.604 1.00 0.00 H new ATOM 193 N LYS A 97 -9.682 -7.998 1.910 1.00 0.00 N ATOM 194 CA LYS A 97 -10.571 -7.892 3.062 1.00 0.00 C ATOM 195 C LYS A 97 -10.220 -6.669 3.898 1.00 0.00 C ATOM 196 O LYS A 97 -11.091 -5.875 4.253 1.00 0.00 O ATOM 197 CB LYS A 97 -10.478 -9.152 3.922 1.00 0.00 C ATOM 198 CG LYS A 97 -11.395 -9.135 5.133 1.00 0.00 C ATOM 199 CD LYS A 97 -11.263 -10.411 5.949 1.00 0.00 C ATOM 200 CE LYS A 97 -12.204 -10.409 7.143 1.00 0.00 C ATOM 201 NZ LYS A 97 -12.103 -11.667 7.933 1.00 0.00 N ATOM 0 H LYS A 97 -8.691 -7.900 2.132 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.592 -7.786 2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.719 -10.019 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.449 -9.276 4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.157 -8.275 5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.428 -9.016 4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.478 -11.272 5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.235 -10.518 6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.974 -9.558 7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.229 -10.279 6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.760 -11.625 8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.347 -12.477 7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.131 -11.778 8.286 1.00 0.00 H new ATOM 215 N THR A 98 -8.936 -6.525 4.210 1.00 0.00 N ATOM 216 CA THR A 98 -8.465 -5.399 4.997 1.00 0.00 C ATOM 217 C THR A 98 -8.720 -4.092 4.254 1.00 0.00 C ATOM 218 O THR A 98 -8.057 -3.792 3.262 1.00 0.00 O ATOM 219 CB THR A 98 -6.959 -5.537 5.308 1.00 0.00 C ATOM 220 OG1 THR A 98 -6.734 -6.681 6.141 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.416 -4.292 5.997 1.00 0.00 C ATOM 0 H THR A 98 -8.204 -7.177 3.928 1.00 0.00 H new ATOM 0 HA THR A 98 -9.015 -5.390 5.938 1.00 0.00 H new ATOM 0 HB THR A 98 -6.434 -5.660 4.361 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.776 -6.763 6.333 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.353 -4.423 6.201 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.557 -3.427 5.349 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.949 -4.133 6.935 1.00 0.00 H new ATOM 229 N LYS A 99 -9.685 -3.318 4.739 1.00 0.00 N ATOM 230 CA LYS A 99 -10.021 -2.051 4.112 1.00 0.00 C ATOM 231 C LYS A 99 -9.254 -0.911 4.765 1.00 0.00 C ATOM 232 O LYS A 99 -9.233 -0.779 5.989 1.00 0.00 O ATOM 233 CB LYS A 99 -11.527 -1.795 4.201 1.00 0.00 C ATOM 234 CG LYS A 99 -12.369 -2.940 3.661 1.00 0.00 C ATOM 235 CD LYS A 99 -13.811 -2.516 3.441 1.00 0.00 C ATOM 236 CE LYS A 99 -14.458 -2.052 4.736 1.00 0.00 C ATOM 237 NZ LYS A 99 -14.471 -3.128 5.765 1.00 0.00 N ATOM 0 H LYS A 99 -10.244 -3.547 5.561 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.736 -2.102 3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.796 -1.616 5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.766 -0.886 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.945 -3.293 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.337 -3.777 4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.847 -1.712 2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.378 -3.350 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.919 -1.187 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.479 -1.728 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.079 -2.842 6.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.840 -4.005 5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.503 -3.290 6.110 1.00 0.00 H new ATOM 251 N PHE A 100 -8.623 -0.090 3.936 1.00 0.00 N ATOM 252 CA PHE A 100 -7.838 1.036 4.425 1.00 0.00 C ATOM 253 C PHE A 100 -8.718 2.059 5.131 1.00 0.00 C ATOM 254 O PHE A 100 -9.945 1.962 5.110 1.00 0.00 O ATOM 255 CB PHE A 100 -7.097 1.709 3.273 1.00 0.00 C ATOM 256 CG PHE A 100 -6.484 0.745 2.298 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.662 -0.281 2.738 1.00 0.00 C ATOM 258 CD2 PHE A 100 -6.724 0.869 0.939 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.094 -1.165 1.840 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.160 -0.011 0.038 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.343 -1.029 0.487 1.00 0.00 C ATOM 0 H PHE A 100 -8.639 -0.183 2.920 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.116 0.647 5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.790 2.359 2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.312 2.346 3.681 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.463 -0.391 3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.360 1.664 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.456 -1.961 2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.358 0.097 -1.018 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.899 -1.718 -0.217 1.00 0.00 H new ATOM 271 N ALA A 101 -8.077 3.043 5.753 1.00 0.00 N ATOM 272 CA ALA A 101 -8.788 4.093 6.467 1.00 0.00 C ATOM 273 C ALA A 101 -8.290 5.470 6.042 1.00 0.00 C ATOM 274 O ALA A 101 -7.312 5.585 5.304 1.00 0.00 O ATOM 275 CB ALA A 101 -8.628 3.911 7.968 1.00 0.00 C ATOM 0 H ALA A 101 -7.061 3.134 5.776 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.846 4.022 6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.165 4.703 8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.034 2.943 8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.571 3.956 8.229 1.00 0.00 H new ATOM 281 N ASP A 102 -8.965 6.511 6.514 1.00 0.00 N ATOM 282 CA ASP A 102 -8.590 7.879 6.178 1.00 0.00 C ATOM 283 C ASP A 102 -8.663 8.118 4.671 1.00 0.00 C ATOM 284 O ASP A 102 -8.062 9.060 4.155 1.00 0.00 O ATOM 285 CB ASP A 102 -7.176 8.179 6.682 1.00 0.00 C ATOM 286 CG ASP A 102 -7.047 7.997 8.181 1.00 0.00 C ATOM 287 OD1 ASP A 102 -7.314 8.966 8.921 1.00 0.00 O ATOM 288 OD2 ASP A 102 -6.679 6.885 8.614 1.00 0.00 O ATOM 0 H ASP A 102 -9.774 6.434 7.130 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.298 8.549 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.466 7.524 6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.909 9.202 6.418 1.00 0.00 H new ATOM 293 N GLY A 103 -9.398 7.260 3.967 1.00 0.00 N ATOM 294 CA GLY A 103 -9.529 7.406 2.529 1.00 0.00 C ATOM 295 C GLY A 103 -8.785 6.329 1.761 1.00 0.00 C ATOM 296 O GLY A 103 -9.379 5.608 0.961 1.00 0.00 O ATOM 0 H GLY A 103 -9.903 6.469 4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.585 7.375 2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.152 8.385 2.231 1.00 0.00 H new ATOM 300 N CYS A 104 -7.481 6.220 2.002 1.00 0.00 N ATOM 301 CA CYS A 104 -6.661 5.226 1.317 1.00 0.00 C ATOM 302 C CYS A 104 -5.587 4.662 2.245 1.00 0.00 C ATOM 303 O CYS A 104 -5.169 5.319 3.199 1.00 0.00 O ATOM 304 CB CYS A 104 -6.009 5.845 0.080 1.00 0.00 C ATOM 305 SG CYS A 104 -5.132 4.660 -0.965 1.00 0.00 S ATOM 0 H CYS A 104 -6.972 6.805 2.664 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.310 4.406 1.010 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -6.778 6.337 -0.515 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -5.310 6.618 0.400 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.997 5.170 -1.340 1.00 0.00 H new ATOM 311 N GLY A 105 -5.143 3.441 1.956 1.00 0.00 N ATOM 312 CA GLY A 105 -4.123 2.804 2.773 1.00 0.00 C ATOM 313 C GLY A 105 -2.726 2.980 2.221 1.00 0.00 C ATOM 314 O GLY A 105 -2.318 4.089 1.876 1.00 0.00 O ATOM 0 H GLY A 105 -5.472 2.881 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.164 3.216 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.344 1.740 2.855 1.00 0.00 H new ATOM 318 N HIS A 106 -1.991 1.877 2.141 1.00 0.00 N ATOM 319 CA HIS A 106 -0.626 1.897 1.636 1.00 0.00 C ATOM 320 C HIS A 106 -0.587 1.461 0.177 1.00 0.00 C ATOM 321 O HIS A 106 -1.163 0.436 -0.190 1.00 0.00 O ATOM 322 CB HIS A 106 0.263 0.980 2.478 1.00 0.00 C ATOM 323 CG HIS A 106 0.233 1.297 3.943 1.00 0.00 C ATOM 324 ND1 HIS A 106 -0.414 0.508 4.870 1.00 0.00 N ATOM 325 CD2 HIS A 106 0.778 2.323 4.639 1.00 0.00 C ATOM 326 CE1 HIS A 106 -0.266 1.034 6.073 1.00 0.00 C ATOM 327 NE2 HIS A 106 0.454 2.134 5.961 1.00 0.00 N ATOM 0 H HIS A 106 -2.321 0.953 2.421 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.250 2.918 1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.053 -0.053 2.332 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.290 1.054 2.120 1.00 0.00 H new ATOM 0 HD2 HIS A 106 1.359 3.137 4.231 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.666 0.632 6.992 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.726 2.745 6.731 1.00 0.00 H new ATOM 336 N ASN A 107 0.093 2.242 -0.654 1.00 0.00 N ATOM 337 CA ASN A 107 0.196 1.930 -2.071 1.00 0.00 C ATOM 338 C ASN A 107 1.644 1.678 -2.469 1.00 0.00 C ATOM 339 O ASN A 107 2.534 2.475 -2.171 1.00 0.00 O ATOM 340 CB ASN A 107 -0.394 3.067 -2.907 1.00 0.00 C ATOM 341 CG ASN A 107 -1.781 3.484 -2.441 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.149 4.655 -2.538 1.00 0.00 O ATOM 343 ND2 ASN A 107 -2.561 2.531 -1.935 1.00 0.00 N ATOM 0 H ASN A 107 0.579 3.093 -0.371 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.372 1.020 -2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.273 3.928 -2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.445 2.756 -3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -3.501 2.760 -1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.219 1.572 -1.872 1.00 0.00 H new ATOM 350 N CYS A 108 1.865 0.558 -3.146 1.00 0.00 N ATOM 351 CA CYS A 108 3.195 0.173 -3.591 1.00 0.00 C ATOM 352 C CYS A 108 3.838 1.273 -4.429 1.00 0.00 C ATOM 353 O CYS A 108 3.264 1.734 -5.414 1.00 0.00 O ATOM 354 CB CYS A 108 3.114 -1.114 -4.407 1.00 0.00 C ATOM 355 SG CYS A 108 4.715 -1.829 -4.836 1.00 0.00 S ATOM 0 H CYS A 108 1.132 -0.104 -3.400 1.00 0.00 H new ATOM 0 HA CYS A 108 3.814 0.011 -2.709 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.540 -1.851 -3.845 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.562 -0.913 -5.325 1.00 0.00 H new ATOM 0 HG CYS A 108 4.534 -2.910 -5.535 1.00 0.00 H new ATOM 360 N SER A 109 5.034 1.684 -4.030 1.00 0.00 N ATOM 361 CA SER A 109 5.764 2.729 -4.739 1.00 0.00 C ATOM 362 C SER A 109 6.106 2.307 -6.168 1.00 0.00 C ATOM 363 O SER A 109 6.497 3.139 -6.988 1.00 0.00 O ATOM 364 CB SER A 109 7.047 3.075 -3.983 1.00 0.00 C ATOM 365 OG SER A 109 7.703 4.184 -4.572 1.00 0.00 O ATOM 0 H SER A 109 5.522 1.309 -3.216 1.00 0.00 H new ATOM 0 HA SER A 109 5.120 3.607 -4.791 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.811 3.299 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.715 2.213 -3.980 1.00 0.00 H new ATOM 0 HG SER A 109 8.621 4.239 -4.233 1.00 0.00 H new ATOM 371 N TYR A 110 5.961 1.016 -6.467 1.00 0.00 N ATOM 372 CA TYR A 110 6.280 0.505 -7.794 1.00 0.00 C ATOM 373 C TYR A 110 5.026 0.228 -8.627 1.00 0.00 C ATOM 374 O TYR A 110 4.606 1.069 -9.421 1.00 0.00 O ATOM 375 CB TYR A 110 7.125 -0.765 -7.678 1.00 0.00 C ATOM 376 CG TYR A 110 8.475 -0.538 -7.034 1.00 0.00 C ATOM 377 CD1 TYR A 110 8.628 -0.588 -5.653 1.00 0.00 C ATOM 378 CD2 TYR A 110 9.598 -0.269 -7.807 1.00 0.00 C ATOM 379 CE1 TYR A 110 9.860 -0.379 -5.062 1.00 0.00 C ATOM 380 CE2 TYR A 110 10.834 -0.060 -7.224 1.00 0.00 C ATOM 381 CZ TYR A 110 10.958 -0.114 -5.851 1.00 0.00 C ATOM 382 OH TYR A 110 12.187 0.094 -5.267 1.00 0.00 O ATOM 0 H TYR A 110 5.626 0.311 -5.810 1.00 0.00 H new ATOM 0 HA TYR A 110 6.848 1.278 -8.311 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.575 -1.506 -7.097 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.272 -1.185 -8.673 1.00 0.00 H new ATOM 0 HD1 TYR A 110 7.769 -0.794 -5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.504 -0.222 -8.882 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.961 -0.423 -3.988 1.00 0.00 H new ATOM 0 HE2 TYR A 110 11.697 0.144 -7.840 1.00 0.00 H new ATOM 0 HH TYR A 110 12.855 0.267 -5.963 1.00 0.00 H new ATOM 392 N CYS A 111 4.426 -0.949 -8.444 1.00 0.00 N ATOM 393 CA CYS A 111 3.234 -1.321 -9.207 1.00 0.00 C ATOM 394 C CYS A 111 1.994 -0.534 -8.773 1.00 0.00 C ATOM 395 O CYS A 111 0.922 -0.691 -9.358 1.00 0.00 O ATOM 396 CB CYS A 111 2.972 -2.830 -9.111 1.00 0.00 C ATOM 397 SG CYS A 111 3.078 -3.519 -7.426 1.00 0.00 S ATOM 0 H CYS A 111 4.742 -1.656 -7.780 1.00 0.00 H new ATOM 0 HA CYS A 111 3.433 -1.063 -10.247 1.00 0.00 H new ATOM 0 HB2 CYS A 111 1.980 -3.038 -9.512 1.00 0.00 H new ATOM 0 HB3 CYS A 111 3.689 -3.350 -9.747 1.00 0.00 H new ATOM 402 N GLN A 112 2.135 0.307 -7.750 1.00 0.00 N ATOM 403 CA GLN A 112 1.021 1.122 -7.274 1.00 0.00 C ATOM 404 C GLN A 112 -0.094 0.269 -6.670 1.00 0.00 C ATOM 405 O GLN A 112 -1.197 0.763 -6.436 1.00 0.00 O ATOM 406 CB GLN A 112 0.462 1.969 -8.418 1.00 0.00 C ATOM 407 CG GLN A 112 1.498 2.865 -9.075 1.00 0.00 C ATOM 408 CD GLN A 112 2.165 3.806 -8.091 1.00 0.00 C ATOM 409 OE1 GLN A 112 1.690 4.916 -7.854 1.00 0.00 O ATOM 410 NE2 GLN A 112 3.278 3.365 -7.513 1.00 0.00 N ATOM 0 H GLN A 112 3.006 0.441 -7.237 1.00 0.00 H new ATOM 0 HA GLN A 112 1.405 1.773 -6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.035 1.309 -9.172 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.351 2.587 -8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.258 2.246 -9.552 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.021 3.448 -9.863 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.637 2.437 -7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.773 3.954 -6.844 1.00 0.00 H new ATOM 419 N THR A 113 0.187 -1.005 -6.416 1.00 0.00 N ATOM 420 CA THR A 113 -0.808 -1.895 -5.835 1.00 0.00 C ATOM 421 C THR A 113 -1.183 -1.446 -4.427 1.00 0.00 C ATOM 422 O THR A 113 -0.312 -1.134 -3.614 1.00 0.00 O ATOM 423 CB THR A 113 -0.308 -3.352 -5.777 1.00 0.00 C ATOM 424 OG1 THR A 113 0.140 -3.769 -7.072 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.413 -4.284 -5.295 1.00 0.00 C ATOM 0 H THR A 113 1.090 -1.441 -6.602 1.00 0.00 H new ATOM 0 HA THR A 113 -1.684 -1.850 -6.482 1.00 0.00 H new ATOM 0 HB THR A 113 0.522 -3.400 -5.072 1.00 0.00 H new ATOM 0 HG1 THR A 113 1.079 -4.046 -7.020 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.038 -5.307 -5.262 1.00 0.00 H new ATOM 0 HG22 THR A 113 -1.734 -3.983 -4.298 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.259 -4.230 -5.980 1.00 0.00 H new ATOM 433 N LYS A 114 -2.480 -1.412 -4.144 1.00 0.00 N ATOM 434 CA LYS A 114 -2.962 -1.003 -2.831 1.00 0.00 C ATOM 435 C LYS A 114 -2.916 -2.174 -1.862 1.00 0.00 C ATOM 436 O LYS A 114 -3.624 -3.165 -2.035 1.00 0.00 O ATOM 437 CB LYS A 114 -4.388 -0.463 -2.931 1.00 0.00 C ATOM 438 CG LYS A 114 -4.550 0.637 -3.967 1.00 0.00 C ATOM 439 CD LYS A 114 -5.981 1.144 -4.026 1.00 0.00 C ATOM 440 CE LYS A 114 -6.136 2.256 -5.050 1.00 0.00 C ATOM 441 NZ LYS A 114 -5.783 1.801 -6.423 1.00 0.00 N ATOM 0 H LYS A 114 -3.215 -1.662 -4.805 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.313 -0.211 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.062 -1.284 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.692 -0.081 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.880 1.463 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.256 0.261 -4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.650 0.321 -4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.280 1.509 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.164 2.617 -5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.500 3.097 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.106 2.506 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.752 1.690 -6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.244 0.889 -6.616 1.00 0.00 H new ATOM 455 N PHE A 115 -2.077 -2.056 -0.841 1.00 0.00 N ATOM 456 CA PHE A 115 -1.930 -3.112 0.151 1.00 0.00 C ATOM 457 C PHE A 115 -2.071 -2.569 1.568 1.00 0.00 C ATOM 458 O PHE A 115 -1.977 -1.363 1.799 1.00 0.00 O ATOM 459 CB PHE A 115 -0.579 -3.808 -0.014 1.00 0.00 C ATOM 460 CG PHE A 115 0.593 -2.871 0.014 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.929 -2.190 1.172 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.365 -2.680 -1.120 1.00 0.00 C ATOM 463 CE1 PHE A 115 2.016 -1.337 1.200 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.451 -1.827 -1.099 1.00 0.00 C ATOM 465 CZ PHE A 115 2.778 -1.155 0.062 1.00 0.00 C ATOM 0 H PHE A 115 -1.488 -1.239 -0.678 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.728 -3.836 -0.012 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.462 -4.546 0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.574 -4.353 -0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.335 -2.327 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.115 -3.204 -2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.269 -0.814 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.044 -1.686 -1.990 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.628 -0.489 0.081 1.00 0.00 H new ATOM 475 N CYS A 116 -2.299 -3.475 2.514 1.00 0.00 N ATOM 476 CA CYS A 116 -2.467 -3.107 3.912 1.00 0.00 C ATOM 477 C CYS A 116 -1.118 -3.046 4.626 1.00 0.00 C ATOM 478 O CYS A 116 -0.093 -3.436 4.067 1.00 0.00 O ATOM 479 CB CYS A 116 -3.404 -4.095 4.609 1.00 0.00 C ATOM 480 SG CYS A 116 -2.810 -5.814 4.610 1.00 0.00 S ATOM 0 H CYS A 116 -2.372 -4.476 2.333 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.914 -2.114 3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.551 -3.773 5.640 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.378 -4.060 4.122 1.00 0.00 H new ATOM 485 N ALA A 117 -1.128 -2.563 5.860 1.00 0.00 N ATOM 486 CA ALA A 117 0.096 -2.429 6.647 1.00 0.00 C ATOM 487 C ALA A 117 0.908 -3.724 6.707 1.00 0.00 C ATOM 488 O ALA A 117 2.127 -3.686 6.876 1.00 0.00 O ATOM 489 CB ALA A 117 -0.243 -1.956 8.053 1.00 0.00 C ATOM 0 H ALA A 117 -1.973 -2.255 6.342 1.00 0.00 H new ATOM 0 HA ALA A 117 0.720 -1.689 6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.674 -1.858 8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.745 -0.990 8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.901 -2.681 8.532 1.00 0.00 H new ATOM 495 N ARG A 118 0.246 -4.870 6.563 1.00 0.00 N ATOM 496 CA ARG A 118 0.946 -6.154 6.635 1.00 0.00 C ATOM 497 C ARG A 118 1.339 -6.686 5.257 1.00 0.00 C ATOM 498 O ARG A 118 2.116 -7.635 5.158 1.00 0.00 O ATOM 499 CB ARG A 118 0.095 -7.188 7.375 1.00 0.00 C ATOM 500 CG ARG A 118 -1.279 -7.404 6.769 1.00 0.00 C ATOM 501 CD ARG A 118 -1.986 -8.592 7.400 1.00 0.00 C ATOM 502 NE ARG A 118 -1.325 -9.855 7.084 1.00 0.00 N ATOM 503 CZ ARG A 118 -1.698 -11.027 7.585 1.00 0.00 C ATOM 504 NH1 ARG A 118 -2.718 -11.097 8.429 1.00 0.00 N ATOM 505 NH2 ARG A 118 -1.050 -12.133 7.242 1.00 0.00 N ATOM 0 H ARG A 118 -0.758 -4.938 6.398 1.00 0.00 H new ATOM 0 HA ARG A 118 1.868 -5.980 7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 118 0.628 -8.139 7.389 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.022 -6.872 8.412 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -1.883 -6.506 6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.183 -7.565 5.695 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -2.019 -8.461 8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -3.018 -8.626 7.051 1.00 0.00 H new ATOM 0 HE ARG A 118 -0.532 -9.836 6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -3.219 -10.249 8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -3.002 -11.999 8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -0.265 -12.083 6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -1.337 -13.033 7.627 1.00 0.00 H new ATOM 519 N CYS A 119 0.810 -6.083 4.198 1.00 0.00 N ATOM 520 CA CYS A 119 1.139 -6.521 2.845 1.00 0.00 C ATOM 521 C CYS A 119 2.105 -5.552 2.169 1.00 0.00 C ATOM 522 O CYS A 119 2.076 -5.378 0.950 1.00 0.00 O ATOM 523 CB CYS A 119 -0.128 -6.672 2.005 1.00 0.00 C ATOM 524 SG CYS A 119 -1.094 -8.164 2.392 1.00 0.00 S ATOM 0 H CYS A 119 0.159 -5.299 4.247 1.00 0.00 H new ATOM 0 HA CYS A 119 1.629 -7.492 2.922 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.758 -5.795 2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.147 -6.692 0.950 1.00 0.00 H new ATOM 529 N GLY A 120 2.966 -4.933 2.967 1.00 0.00 N ATOM 530 CA GLY A 120 3.936 -3.994 2.434 1.00 0.00 C ATOM 531 C GLY A 120 4.979 -3.591 3.459 1.00 0.00 C ATOM 532 O GLY A 120 5.092 -4.213 4.515 1.00 0.00 O ATOM 0 H GLY A 120 3.010 -5.065 3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.432 -4.439 1.572 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.417 -3.103 2.079 1.00 0.00 H new ATOM 536 N GLY A 121 5.742 -2.548 3.148 1.00 0.00 N ATOM 537 CA GLY A 121 6.770 -2.084 4.063 1.00 0.00 C ATOM 538 C GLY A 121 7.032 -0.596 3.942 1.00 0.00 C ATOM 539 O GLY A 121 7.015 -0.042 2.842 1.00 0.00 O ATOM 0 H GLY A 121 5.668 -2.016 2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.471 -2.314 5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.695 -2.628 3.871 1.00 0.00 H new ATOM 543 N ARG A 122 7.274 0.052 5.077 1.00 0.00 N ATOM 544 CA ARG A 122 7.543 1.486 5.101 1.00 0.00 C ATOM 545 C ARG A 122 9.033 1.761 4.919 1.00 0.00 C ATOM 546 O ARG A 122 9.874 1.099 5.527 1.00 0.00 O ATOM 547 CB ARG A 122 7.064 2.094 6.422 1.00 0.00 C ATOM 548 CG ARG A 122 7.787 1.540 7.638 1.00 0.00 C ATOM 549 CD ARG A 122 7.289 2.179 8.925 1.00 0.00 C ATOM 550 NE ARG A 122 5.850 2.002 9.101 1.00 0.00 N ATOM 551 CZ ARG A 122 5.298 0.903 9.604 1.00 0.00 C ATOM 552 NH1 ARG A 122 6.061 -0.119 9.970 1.00 0.00 N ATOM 553 NH2 ARG A 122 3.982 0.824 9.743 1.00 0.00 N ATOM 0 H ARG A 122 7.289 -0.394 5.994 1.00 0.00 H new ATOM 0 HA ARG A 122 6.999 1.946 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 122 7.202 3.175 6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.995 1.913 6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.643 0.461 7.687 1.00 0.00 H new ATOM 0 HG3 ARG A 122 8.858 1.714 7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.815 1.742 9.774 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.525 3.243 8.917 1.00 0.00 H new ATOM 0 HE ARG A 122 5.234 2.765 8.822 1.00 0.00 H new ATOM 0 HH11 ARG A 122 7.074 -0.062 9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.634 -0.961 10.356 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.392 1.608 9.464 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.560 -0.020 10.129 1.00 0.00 H new ATOM 567 N VAL A 123 9.355 2.740 4.078 1.00 0.00 N ATOM 568 CA VAL A 123 10.745 3.098 3.825 1.00 0.00 C ATOM 569 C VAL A 123 10.939 4.610 3.814 1.00 0.00 C ATOM 570 O VAL A 123 10.275 5.328 3.066 1.00 0.00 O ATOM 571 CB VAL A 123 11.244 2.524 2.488 1.00 0.00 C ATOM 572 CG1 VAL A 123 12.721 2.832 2.302 1.00 0.00 C ATOM 573 CG2 VAL A 123 10.989 1.026 2.421 1.00 0.00 C ATOM 0 H VAL A 123 8.674 3.297 3.562 1.00 0.00 H new ATOM 0 HA VAL A 123 11.327 2.666 4.639 1.00 0.00 H new ATOM 0 HB VAL A 123 10.690 2.996 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 123 13.062 2.420 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 123 12.871 3.912 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 123 13.291 2.385 3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 123 11.349 0.638 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 123 11.516 0.530 3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.920 0.835 2.510 1.00 0.00 H new ATOM 583 N SER A 124 11.855 5.085 4.650 1.00 0.00 N ATOM 584 CA SER A 124 12.148 6.512 4.741 1.00 0.00 C ATOM 585 C SER A 124 13.500 6.827 4.107 1.00 0.00 C ATOM 586 O SER A 124 14.541 6.388 4.597 1.00 0.00 O ATOM 587 CB SER A 124 12.140 6.964 6.203 1.00 0.00 C ATOM 588 OG SER A 124 10.877 6.732 6.802 1.00 0.00 O ATOM 0 H SER A 124 12.409 4.502 5.277 1.00 0.00 H new ATOM 0 HA SER A 124 11.374 7.054 4.197 1.00 0.00 H new ATOM 0 HB2 SER A 124 12.912 6.429 6.756 1.00 0.00 H new ATOM 0 HB3 SER A 124 12.384 8.025 6.260 1.00 0.00 H new ATOM 0 HG SER A 124 10.899 7.028 7.736 1.00 0.00 H new ATOM 594 N LEU A 125 13.481 7.590 3.020 1.00 0.00 N ATOM 595 CA LEU A 125 14.712 7.955 2.327 1.00 0.00 C ATOM 596 C LEU A 125 15.231 9.310 2.808 1.00 0.00 C ATOM 597 O LEU A 125 16.053 9.377 3.722 1.00 0.00 O ATOM 598 CB LEU A 125 14.488 7.977 0.813 1.00 0.00 C ATOM 599 CG LEU A 125 14.225 6.616 0.175 1.00 0.00 C ATOM 600 CD1 LEU A 125 13.014 5.948 0.808 1.00 0.00 C ATOM 601 CD2 LEU A 125 14.031 6.767 -1.325 1.00 0.00 C ATOM 0 H LEU A 125 12.631 7.967 2.601 1.00 0.00 H new ATOM 0 HA LEU A 125 15.465 7.202 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.643 8.631 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.364 8.420 0.339 1.00 0.00 H new ATOM 0 HG LEU A 125 15.092 5.979 0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.845 4.979 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 125 13.192 5.808 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 125 12.136 6.578 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.844 5.789 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.181 7.421 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 125 14.929 7.200 -1.766 1.00 0.00 H new ATOM 613 N ARG A 126 14.740 10.385 2.198 1.00 0.00 N ATOM 614 CA ARG A 126 15.160 11.732 2.567 1.00 0.00 C ATOM 615 C ARG A 126 14.135 12.764 2.109 1.00 0.00 C ATOM 616 O ARG A 126 13.235 12.453 1.328 1.00 0.00 O ATOM 617 CB ARG A 126 16.528 12.052 1.960 1.00 0.00 C ATOM 618 CG ARG A 126 17.650 11.180 2.501 1.00 0.00 C ATOM 619 CD ARG A 126 18.995 11.576 1.916 1.00 0.00 C ATOM 620 NE ARG A 126 19.081 11.272 0.492 1.00 0.00 N ATOM 621 CZ ARG A 126 20.105 11.627 -0.276 1.00 0.00 C ATOM 622 NH1 ARG A 126 21.122 12.303 0.242 1.00 0.00 N ATOM 623 NH2 ARG A 126 20.113 11.306 -1.562 1.00 0.00 N ATOM 0 H ARG A 126 14.051 10.349 1.446 1.00 0.00 H new ATOM 0 HA ARG A 126 15.236 11.775 3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 126 16.474 11.931 0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 126 16.766 13.098 2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 126 17.686 11.264 3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 126 17.444 10.135 2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 126 19.157 12.643 2.070 1.00 0.00 H new ATOM 0 HD3 ARG A 126 19.790 11.053 2.447 1.00 0.00 H new ATOM 0 HE ARG A 126 18.312 10.758 0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 126 21.118 12.551 1.231 1.00 0.00 H new ATOM 0 HH12 ARG A 126 21.908 12.575 -0.349 1.00 0.00 H new ATOM 0 HH21 ARG A 126 19.332 10.786 -1.963 1.00 0.00 H new ATOM 0 HH22 ARG A 126 20.900 11.579 -2.151 1.00 0.00 H new ATOM 637 N SER A 127 14.277 13.990 2.599 1.00 0.00 N ATOM 638 CA SER A 127 13.360 15.065 2.241 1.00 0.00 C ATOM 639 C SER A 127 11.921 14.669 2.552 1.00 0.00 C ATOM 640 O SER A 127 10.987 15.104 1.877 1.00 0.00 O ATOM 641 CB SER A 127 13.500 15.413 0.758 1.00 0.00 C ATOM 642 OG SER A 127 14.808 15.869 0.461 1.00 0.00 O ATOM 0 H SER A 127 15.018 14.264 3.245 1.00 0.00 H new ATOM 0 HA SER A 127 13.615 15.943 2.834 1.00 0.00 H new ATOM 0 HB2 SER A 127 13.271 14.536 0.153 1.00 0.00 H new ATOM 0 HB3 SER A 127 12.775 16.182 0.492 1.00 0.00 H new ATOM 0 HG SER A 127 14.871 16.083 -0.493 1.00 0.00 H new ATOM 648 N ASN A 128 11.752 13.842 3.578 1.00 0.00 N ATOM 649 CA ASN A 128 10.428 13.383 3.983 1.00 0.00 C ATOM 650 C ASN A 128 9.782 12.541 2.891 1.00 0.00 C ATOM 651 O ASN A 128 8.562 12.559 2.720 1.00 0.00 O ATOM 652 CB ASN A 128 9.532 14.574 4.324 1.00 0.00 C ATOM 653 CG ASN A 128 10.024 15.340 5.535 1.00 0.00 C ATOM 654 OD1 ASN A 128 11.224 15.400 5.801 1.00 0.00 O ATOM 655 ND2 ASN A 128 9.094 15.931 6.278 1.00 0.00 N ATOM 0 H ASN A 128 12.516 13.475 4.145 1.00 0.00 H new ATOM 0 HA ASN A 128 10.546 12.761 4.870 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.484 15.246 3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 128 8.518 14.221 4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 128 9.364 16.461 7.107 1.00 0.00 H new ATOM 0 HD22 ASN A 128 8.110 15.855 6.020 1.00 0.00 H new ATOM 662 N LYS A 129 10.602 11.802 2.153 1.00 0.00 N ATOM 663 CA LYS A 129 10.102 10.951 1.081 1.00 0.00 C ATOM 664 C LYS A 129 9.671 9.594 1.619 1.00 0.00 C ATOM 665 O LYS A 129 10.462 8.652 1.669 1.00 0.00 O ATOM 666 CB LYS A 129 11.165 10.762 0.002 1.00 0.00 C ATOM 667 CG LYS A 129 11.420 12.008 -0.828 1.00 0.00 C ATOM 668 CD LYS A 129 12.543 11.790 -1.829 1.00 0.00 C ATOM 669 CE LYS A 129 12.780 13.029 -2.676 1.00 0.00 C ATOM 670 NZ LYS A 129 13.894 12.836 -3.644 1.00 0.00 N ATOM 0 H LYS A 129 11.614 11.775 2.277 1.00 0.00 H new ATOM 0 HA LYS A 129 9.235 11.445 0.643 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.098 10.453 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.859 9.952 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 129 10.509 12.287 -1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.674 12.839 -0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.459 11.529 -1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 129 12.298 10.947 -2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 129 11.868 13.278 -3.218 1.00 0.00 H new ATOM 0 HE3 LYS A 129 13.006 13.875 -2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 14.023 13.704 -4.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.771 12.623 -3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 13.668 12.045 -4.281 1.00 0.00 H new ATOM 684 N VAL A 130 8.412 9.504 2.020 1.00 0.00 N ATOM 685 CA VAL A 130 7.866 8.265 2.557 1.00 0.00 C ATOM 686 C VAL A 130 7.074 7.510 1.496 1.00 0.00 C ATOM 687 O VAL A 130 6.085 8.017 0.967 1.00 0.00 O ATOM 688 CB VAL A 130 6.956 8.533 3.768 1.00 0.00 C ATOM 689 CG1 VAL A 130 6.532 7.226 4.419 1.00 0.00 C ATOM 690 CG2 VAL A 130 7.660 9.432 4.770 1.00 0.00 C ATOM 0 H VAL A 130 7.747 10.276 1.984 1.00 0.00 H new ATOM 0 HA VAL A 130 8.712 7.657 2.876 1.00 0.00 H new ATOM 0 HB VAL A 130 6.058 9.044 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.889 7.437 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 130 5.987 6.619 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 130 7.416 6.683 4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 130 7.003 9.612 5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 130 8.574 8.948 5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.908 10.381 4.295 1.00 0.00 H new ATOM 700 N MET A 131 7.513 6.294 1.192 1.00 0.00 N ATOM 701 CA MET A 131 6.839 5.468 0.198 1.00 0.00 C ATOM 702 C MET A 131 6.692 4.040 0.692 1.00 0.00 C ATOM 703 O MET A 131 7.571 3.504 1.367 1.00 0.00 O ATOM 704 CB MET A 131 7.601 5.481 -1.125 1.00 0.00 C ATOM 705 CG MET A 131 9.025 4.961 -1.015 1.00 0.00 C ATOM 706 SD MET A 131 9.838 4.815 -2.617 1.00 0.00 S ATOM 707 CE MET A 131 11.349 3.971 -2.153 1.00 0.00 C ATOM 0 H MET A 131 8.331 5.859 1.619 1.00 0.00 H new ATOM 0 HA MET A 131 5.846 5.888 0.036 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.058 4.877 -1.853 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.625 6.500 -1.511 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.604 5.630 -0.378 1.00 0.00 H new ATOM 0 HG3 MET A 131 9.015 3.986 -0.527 1.00 0.00 H new ATOM 0 HE1 MET A 131 12.205 4.499 -2.574 1.00 0.00 H new ATOM 0 HE2 MET A 131 11.435 3.949 -1.067 1.00 0.00 H new ATOM 0 HE3 MET A 131 11.328 2.951 -2.536 1.00 0.00 H new ATOM 717 N TRP A 132 5.568 3.433 0.349 1.00 0.00 N ATOM 718 CA TRP A 132 5.280 2.067 0.754 1.00 0.00 C ATOM 719 C TRP A 132 5.422 1.101 -0.416 1.00 0.00 C ATOM 720 O TRP A 132 4.986 1.393 -1.529 1.00 0.00 O ATOM 721 CB TRP A 132 3.873 1.982 1.343 1.00 0.00 C ATOM 722 CG TRP A 132 3.799 2.467 2.755 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.793 3.763 3.183 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.721 1.655 3.928 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.715 3.805 4.555 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.670 2.521 5.035 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.689 0.276 4.147 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.587 2.052 6.343 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.608 -0.190 5.445 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.558 0.696 6.529 1.00 0.00 C ATOM 0 H TRP A 132 4.836 3.868 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 132 6.005 1.779 1.515 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.192 2.569 0.727 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.530 0.948 1.302 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.842 4.628 2.539 1.00 0.00 H new ATOM 0 HE1 TRP A 132 3.694 4.652 5.123 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.727 -0.414 3.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 3.547 2.733 7.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.583 -1.254 5.627 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.495 0.301 7.532 1.00 0.00 H new ATOM 741 N VAL A 133 6.035 -0.049 -0.156 1.00 0.00 N ATOM 742 CA VAL A 133 6.234 -1.066 -1.182 1.00 0.00 C ATOM 743 C VAL A 133 5.742 -2.426 -0.695 1.00 0.00 C ATOM 744 O VAL A 133 6.074 -2.857 0.410 1.00 0.00 O ATOM 745 CB VAL A 133 7.720 -1.178 -1.579 1.00 0.00 C ATOM 746 CG1 VAL A 133 7.921 -2.267 -2.623 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.235 0.158 -2.092 1.00 0.00 C ATOM 0 H VAL A 133 6.404 -0.301 0.761 1.00 0.00 H new ATOM 0 HA VAL A 133 5.658 -0.762 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 133 8.291 -1.451 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 133 8.977 -2.327 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 133 7.593 -3.224 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.337 -2.030 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.285 0.062 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 133 7.657 0.460 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.133 0.911 -1.311 1.00 0.00 H new ATOM 757 N CYS A 134 4.948 -3.099 -1.524 1.00 0.00 N ATOM 758 CA CYS A 134 4.411 -4.407 -1.165 1.00 0.00 C ATOM 759 C CYS A 134 5.531 -5.399 -0.885 1.00 0.00 C ATOM 760 O CYS A 134 6.621 -5.310 -1.451 1.00 0.00 O ATOM 761 CB CYS A 134 3.495 -4.947 -2.267 1.00 0.00 C ATOM 762 SG CYS A 134 4.316 -5.228 -3.869 1.00 0.00 S ATOM 0 H CYS A 134 4.664 -2.762 -2.444 1.00 0.00 H new ATOM 0 HA CYS A 134 3.823 -4.282 -0.256 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.057 -5.886 -1.929 1.00 0.00 H new ATOM 0 HB3 CYS A 134 2.673 -4.246 -2.413 1.00 0.00 H new ATOM 767 N ASN A 135 5.240 -6.347 -0.003 1.00 0.00 N ATOM 768 CA ASN A 135 6.200 -7.376 0.390 1.00 0.00 C ATOM 769 C ASN A 135 6.770 -8.133 -0.813 1.00 0.00 C ATOM 770 O ASN A 135 7.802 -8.794 -0.700 1.00 0.00 O ATOM 771 CB ASN A 135 5.542 -8.363 1.355 1.00 0.00 C ATOM 772 CG ASN A 135 5.018 -7.687 2.606 1.00 0.00 C ATOM 773 OD1 ASN A 135 5.559 -6.674 3.052 1.00 0.00 O ATOM 774 ND2 ASN A 135 3.957 -8.242 3.179 1.00 0.00 N ATOM 0 H ASN A 135 4.335 -6.426 0.460 1.00 0.00 H new ATOM 0 HA ASN A 135 7.031 -6.870 0.882 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.721 -8.870 0.848 1.00 0.00 H new ATOM 0 HB3 ASN A 135 6.265 -9.129 1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 135 3.558 -7.829 4.022 1.00 0.00 H new ATOM 0 HD22 ASN A 135 3.540 -9.081 2.776 1.00 0.00 H new ATOM 781 N LEU A 136 6.103 -8.037 -1.960 1.00 0.00 N ATOM 782 CA LEU A 136 6.561 -8.727 -3.163 1.00 0.00 C ATOM 783 C LEU A 136 7.651 -7.930 -3.872 1.00 0.00 C ATOM 784 O LEU A 136 8.625 -8.497 -4.367 1.00 0.00 O ATOM 785 CB LEU A 136 5.388 -8.960 -4.114 1.00 0.00 C ATOM 786 CG LEU A 136 4.081 -9.375 -3.438 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.063 -9.830 -4.470 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.336 -10.468 -2.415 1.00 0.00 C ATOM 0 H LEU A 136 5.249 -7.492 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 136 6.979 -9.688 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.212 -8.046 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 136 5.669 -9.731 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 136 3.672 -8.508 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.141 -10.121 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 136 2.857 -9.014 -5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.460 -10.682 -5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.395 -10.752 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.770 -11.336 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.027 -10.102 -1.656 1.00 0.00 H new ATOM 800 N CYS A 137 7.482 -6.615 -3.918 1.00 0.00 N ATOM 801 CA CYS A 137 8.461 -5.743 -4.558 1.00 0.00 C ATOM 802 C CYS A 137 9.593 -5.420 -3.591 1.00 0.00 C ATOM 803 O CYS A 137 10.758 -5.341 -3.980 1.00 0.00 O ATOM 804 CB CYS A 137 7.797 -4.447 -5.034 1.00 0.00 C ATOM 805 SG CYS A 137 6.766 -4.638 -6.525 1.00 0.00 S ATOM 0 H CYS A 137 6.678 -6.129 -3.521 1.00 0.00 H new ATOM 0 HA CYS A 137 8.871 -6.265 -5.423 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.180 -4.051 -4.228 1.00 0.00 H new ATOM 0 HB3 CYS A 137 8.572 -3.707 -5.235 1.00 0.00 H new ATOM 810 N ARG A 138 9.234 -5.236 -2.326 1.00 0.00 N ATOM 811 CA ARG A 138 10.204 -4.925 -1.285 1.00 0.00 C ATOM 812 C ARG A 138 11.184 -6.078 -1.083 1.00 0.00 C ATOM 813 O ARG A 138 12.360 -5.862 -0.791 1.00 0.00 O ATOM 814 CB ARG A 138 9.478 -4.622 0.026 1.00 0.00 C ATOM 815 CG ARG A 138 10.400 -4.180 1.149 1.00 0.00 C ATOM 816 CD ARG A 138 9.651 -4.063 2.466 1.00 0.00 C ATOM 817 NE ARG A 138 9.164 -5.357 2.935 1.00 0.00 N ATOM 818 CZ ARG A 138 9.908 -6.219 3.623 1.00 0.00 C ATOM 819 NH1 ARG A 138 11.173 -5.935 3.901 1.00 0.00 N ATOM 820 NH2 ARG A 138 9.386 -7.370 4.027 1.00 0.00 N ATOM 0 H ARG A 138 8.271 -5.298 -1.996 1.00 0.00 H new ATOM 0 HA ARG A 138 10.771 -4.049 -1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.737 -3.842 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.934 -5.512 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.216 -4.895 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.849 -3.219 0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 138 10.308 -3.628 3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.809 -3.381 2.345 1.00 0.00 H new ATOM 0 HE ARG A 138 8.200 -5.614 2.723 1.00 0.00 H new ATOM 0 HH11 ARG A 138 11.579 -5.053 3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 138 11.740 -6.598 4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.415 -7.594 3.810 1.00 0.00 H new ATOM 0 HH22 ARG A 138 9.956 -8.031 4.554 1.00 0.00 H new ATOM 834 N LYS A 139 10.692 -7.304 -1.243 1.00 0.00 N ATOM 835 CA LYS A 139 11.522 -8.492 -1.069 1.00 0.00 C ATOM 836 C LYS A 139 12.198 -8.891 -2.379 1.00 0.00 C ATOM 837 O LYS A 139 13.420 -9.017 -2.444 1.00 0.00 O ATOM 838 CB LYS A 139 10.674 -9.653 -0.545 1.00 0.00 C ATOM 839 CG LYS A 139 11.454 -10.942 -0.342 1.00 0.00 C ATOM 840 CD LYS A 139 10.550 -12.068 0.132 1.00 0.00 C ATOM 841 CE LYS A 139 11.320 -13.366 0.315 1.00 0.00 C ATOM 842 NZ LYS A 139 12.394 -13.237 1.337 1.00 0.00 N ATOM 0 H LYS A 139 9.723 -7.500 -1.493 1.00 0.00 H new ATOM 0 HA LYS A 139 12.300 -8.256 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.221 -9.361 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 139 9.859 -9.839 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.935 -11.229 -1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 139 12.247 -10.778 0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 139 10.081 -11.786 1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 139 9.748 -12.219 -0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 139 10.631 -14.158 0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 139 11.759 -13.664 -0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 12.758 -14.181 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 13.167 -12.655 0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 12.008 -12.785 2.191 1.00 0.00 H new ATOM 856 N GLN A 140 11.395 -9.089 -3.420 1.00 0.00 N ATOM 857 CA GLN A 140 11.919 -9.480 -4.724 1.00 0.00 C ATOM 858 C GLN A 140 13.051 -8.558 -5.164 1.00 0.00 C ATOM 859 O GLN A 140 13.972 -8.983 -5.863 1.00 0.00 O ATOM 860 CB GLN A 140 10.806 -9.473 -5.773 1.00 0.00 C ATOM 861 CG GLN A 140 11.292 -9.827 -7.169 1.00 0.00 C ATOM 862 CD GLN A 140 10.161 -9.910 -8.178 1.00 0.00 C ATOM 863 OE1 GLN A 140 9.807 -8.917 -8.813 1.00 0.00 O ATOM 864 NE2 GLN A 140 9.590 -11.099 -8.329 1.00 0.00 N ATOM 0 H GLN A 140 10.381 -8.985 -3.386 1.00 0.00 H new ATOM 0 HA GLN A 140 12.316 -10.491 -4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.032 -10.180 -5.475 1.00 0.00 H new ATOM 0 HB3 GLN A 140 10.344 -8.486 -5.796 1.00 0.00 H new ATOM 0 HG2 GLN A 140 12.014 -9.080 -7.499 1.00 0.00 H new ATOM 0 HG3 GLN A 140 11.815 -10.783 -7.136 1.00 0.00 H new ATOM 0 HE21 GLN A 140 9.917 -11.895 -7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 140 8.825 -11.217 -8.993 1.00 0.00 H new ATOM 873 N GLN A 141 12.978 -7.296 -4.756 1.00 0.00 N ATOM 874 CA GLN A 141 14.001 -6.322 -5.115 1.00 0.00 C ATOM 875 C GLN A 141 14.586 -5.666 -3.870 1.00 0.00 C ATOM 876 O GLN A 141 14.931 -4.485 -3.877 1.00 0.00 O ATOM 877 CB GLN A 141 13.418 -5.258 -6.048 1.00 0.00 C ATOM 878 CG GLN A 141 14.472 -4.383 -6.712 1.00 0.00 C ATOM 879 CD GLN A 141 13.877 -3.399 -7.700 1.00 0.00 C ATOM 880 OE1 GLN A 141 13.732 -3.701 -8.885 1.00 0.00 O ATOM 881 NE2 GLN A 141 13.529 -2.212 -7.217 1.00 0.00 N ATOM 0 H GLN A 141 12.224 -6.925 -4.178 1.00 0.00 H new ATOM 0 HA GLN A 141 14.803 -6.846 -5.635 1.00 0.00 H new ATOM 0 HB2 GLN A 141 12.827 -5.749 -6.821 1.00 0.00 H new ATOM 0 HB3 GLN A 141 12.737 -4.624 -5.481 1.00 0.00 H new ATOM 0 HG2 GLN A 141 15.020 -3.835 -5.945 1.00 0.00 H new ATOM 0 HG3 GLN A 141 15.193 -5.017 -7.227 1.00 0.00 H new ATOM 0 HE21 GLN A 141 13.667 -2.004 -6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 141 13.124 -1.509 -7.835 1.00 0.00 H new ATOM 890 N GLU A 142 14.693 -6.444 -2.797 1.00 0.00 N ATOM 891 CA GLU A 142 15.238 -5.944 -1.542 1.00 0.00 C ATOM 892 C GLU A 142 16.602 -5.293 -1.758 1.00 0.00 C ATOM 893 O GLU A 142 16.642 -4.062 -1.971 1.00 0.00 O ATOM 894 CB GLU A 142 15.349 -7.083 -0.523 1.00 0.00 C ATOM 895 CG GLU A 142 16.082 -8.308 -1.049 1.00 0.00 C ATOM 896 CD GLU A 142 15.985 -9.492 -0.107 1.00 0.00 C ATOM 897 OE1 GLU A 142 16.817 -9.584 0.821 1.00 0.00 O ATOM 898 OE2 GLU A 142 15.077 -10.329 -0.297 1.00 0.00 O ATOM 899 OXT GLU A 142 17.619 -6.017 -1.717 1.00 0.00 O ATOM 0 H GLU A 142 14.409 -7.423 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 142 14.558 -5.186 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 142 15.865 -6.715 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 142 14.347 -7.377 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 142 15.670 -8.585 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 142 17.131 -8.059 -1.208 1.00 0.00 H new TER 906 GLU A 142 HETATM 907 ZN ZN A 292 -3.394 -6.936 2.376 1.00 0.00 ZN HETATM 908 ZN ZN A 308 4.899 -3.274 -5.510 1.00 0.00 ZN