USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=13 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 30:sc= -0.507 USER MOD Set 1.2: A 141 GLN : amide:sc= -1.36 K(o=-1.9,f=-3.2!) USER MOD Set 2.1: A 104 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 107 ASN : amide:sc= -5.48! C(o=-5.5!,f=-3.9!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.615 K(o=-0.61,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -170:sc= 0.103 USER MOD Single : A 96 HIS : no HE2:sc= 0.00361 X(o=0.0036,f=-0.069) USER MOD Single : A 97 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.092) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -4.54! K(o=-4.5!,f=-1.3) USER MOD Single : A 108 CYS SG : rot 163:sc= 0.134 USER MOD Single : A 109 SER OG : rot 129:sc= 0.365 USER MOD Single : A 112 GLN : amide:sc= 0.059 K(o=0.059,f=-0.65) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 30:sc= 0.31 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl -165:sc= -0.0276 (180deg=-0.328) USER MOD Single : A 135 ASN : amide:sc= -3.72! C(o=-3.7!,f=-12!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 0.303 X(o=0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 83 -23.992 6.599 9.782 1.00 0.00 N ATOM 2 CA GLN A 83 -24.071 5.242 9.181 1.00 0.00 C ATOM 3 C GLN A 83 -23.769 5.287 7.689 1.00 0.00 C ATOM 4 O GLN A 83 -24.603 5.708 6.888 1.00 0.00 O ATOM 5 CB GLN A 83 -25.461 4.645 9.407 1.00 0.00 C ATOM 6 CG GLN A 83 -25.804 4.435 10.872 1.00 0.00 C ATOM 7 CD GLN A 83 -27.207 3.896 11.069 1.00 0.00 C ATOM 8 OE1 GLN A 83 -28.162 4.657 11.225 1.00 0.00 O ATOM 9 NE2 GLN A 83 -27.340 2.574 11.057 1.00 0.00 N ATOM 0 HA GLN A 83 -23.324 4.614 9.667 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -26.206 5.302 8.959 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -25.525 3.689 8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -25.087 3.743 11.314 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -25.704 5.381 11.404 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -26.521 1.980 10.925 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -28.261 2.153 11.180 1.00 0.00 H new ATOM 18 N GLU A 84 -22.569 4.850 7.322 1.00 0.00 N ATOM 19 CA GLU A 84 -22.153 4.839 5.925 1.00 0.00 C ATOM 20 C GLU A 84 -22.628 3.570 5.225 1.00 0.00 C ATOM 21 O GLU A 84 -21.857 2.632 5.028 1.00 0.00 O ATOM 22 CB GLU A 84 -20.631 4.950 5.825 1.00 0.00 C ATOM 23 CG GLU A 84 -20.085 6.277 6.326 1.00 0.00 C ATOM 24 CD GLU A 84 -20.568 7.453 5.500 1.00 0.00 C ATOM 25 OE1 GLU A 84 -19.903 7.788 4.498 1.00 0.00 O ATOM 26 OE2 GLU A 84 -21.611 8.040 5.856 1.00 0.00 O ATOM 0 H GLU A 84 -21.867 4.499 7.973 1.00 0.00 H new ATOM 0 HA GLU A 84 -22.608 5.697 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.177 4.141 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -20.332 4.812 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -20.383 6.420 7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -18.996 6.248 6.308 1.00 0.00 H new ATOM 33 N GLN A 85 -23.903 3.548 4.852 1.00 0.00 N ATOM 34 CA GLN A 85 -24.479 2.395 4.171 1.00 0.00 C ATOM 35 C GLN A 85 -24.024 2.344 2.717 1.00 0.00 C ATOM 36 O GLN A 85 -23.798 1.268 2.164 1.00 0.00 O ATOM 37 CB GLN A 85 -26.006 2.442 4.239 1.00 0.00 C ATOM 38 CG GLN A 85 -26.683 1.328 3.455 1.00 0.00 C ATOM 39 CD GLN A 85 -28.183 1.270 3.683 1.00 0.00 C ATOM 40 OE1 GLN A 85 -28.783 0.196 3.652 1.00 0.00 O ATOM 41 NE2 GLN A 85 -28.802 2.427 3.902 1.00 0.00 N ATOM 0 H GLN A 85 -24.557 4.315 5.010 1.00 0.00 H new ATOM 0 HA GLN A 85 -24.131 1.494 4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -26.317 2.383 5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -26.349 3.404 3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -26.488 1.469 2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -26.241 0.372 3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -28.268 3.296 3.920 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -29.811 2.445 4.052 1.00 0.00 H new ATOM 50 N LYS A 86 -23.894 3.516 2.103 1.00 0.00 N ATOM 51 CA LYS A 86 -23.463 3.608 0.713 1.00 0.00 C ATOM 52 C LYS A 86 -22.036 4.134 0.624 1.00 0.00 C ATOM 53 O LYS A 86 -21.589 4.894 1.484 1.00 0.00 O ATOM 54 CB LYS A 86 -24.405 4.517 -0.080 1.00 0.00 C ATOM 55 CG LYS A 86 -25.820 3.976 -0.191 1.00 0.00 C ATOM 56 CD LYS A 86 -26.700 4.886 -1.037 1.00 0.00 C ATOM 57 CE LYS A 86 -26.139 5.054 -2.440 1.00 0.00 C ATOM 58 NZ LYS A 86 -27.041 5.864 -3.305 1.00 0.00 N ATOM 0 H LYS A 86 -24.081 4.415 2.547 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.492 2.607 0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -24.436 5.498 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -24.000 4.661 -1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -25.796 2.979 -0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -26.251 3.874 0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -27.706 4.471 -1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -26.784 5.861 -0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -25.162 5.533 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -25.988 4.073 -2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -26.623 5.955 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -27.966 5.394 -3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -27.165 6.809 -2.889 1.00 0.00 H new ATOM 72 N GLY A 87 -21.324 3.726 -0.421 1.00 0.00 N ATOM 73 CA GLY A 87 -19.952 4.164 -0.601 1.00 0.00 C ATOM 74 C GLY A 87 -18.989 3.001 -0.715 1.00 0.00 C ATOM 75 O GLY A 87 -19.081 2.034 0.041 1.00 0.00 O ATOM 0 H GLY A 87 -21.672 3.100 -1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -19.884 4.779 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -19.660 4.794 0.240 1.00 0.00 H new ATOM 79 N ASP A 88 -18.061 3.092 -1.661 1.00 0.00 N ATOM 80 CA ASP A 88 -17.081 2.033 -1.867 1.00 0.00 C ATOM 81 C ASP A 88 -15.940 2.144 -0.863 1.00 0.00 C ATOM 82 O ASP A 88 -15.155 3.091 -0.899 1.00 0.00 O ATOM 83 CB ASP A 88 -16.529 2.092 -3.291 1.00 0.00 C ATOM 84 CG ASP A 88 -15.527 0.989 -3.569 1.00 0.00 C ATOM 85 OD1 ASP A 88 -15.950 -0.099 -4.012 1.00 0.00 O ATOM 86 OD2 ASP A 88 -14.320 1.213 -3.343 1.00 0.00 O ATOM 0 H ASP A 88 -17.967 3.885 -2.295 1.00 0.00 H new ATOM 0 HA ASP A 88 -17.581 1.076 -1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.353 2.018 -4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.054 3.060 -3.454 1.00 0.00 H new ATOM 91 N ALA A 89 -15.857 1.168 0.034 1.00 0.00 N ATOM 92 CA ALA A 89 -14.812 1.146 1.049 1.00 0.00 C ATOM 93 C ALA A 89 -13.466 0.763 0.440 1.00 0.00 C ATOM 94 O ALA A 89 -13.409 0.208 -0.657 1.00 0.00 O ATOM 95 CB ALA A 89 -15.187 0.180 2.162 1.00 0.00 C ATOM 0 H ALA A 89 -16.503 0.380 0.078 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.718 2.148 1.467 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.400 0.170 2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.124 0.498 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -15.306 -0.822 1.749 1.00 0.00 H new ATOM 101 N PRO A 90 -12.363 1.056 1.149 1.00 0.00 N ATOM 102 CA PRO A 90 -11.016 0.736 0.693 1.00 0.00 C ATOM 103 C PRO A 90 -10.645 -0.700 1.029 1.00 0.00 C ATOM 104 O PRO A 90 -10.879 -1.159 2.146 1.00 0.00 O ATOM 105 CB PRO A 90 -10.123 1.710 1.472 1.00 0.00 C ATOM 106 CG PRO A 90 -11.025 2.453 2.416 1.00 0.00 C ATOM 107 CD PRO A 90 -12.331 1.709 2.456 1.00 0.00 C ATOM 0 HA PRO A 90 -10.914 0.829 -0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.347 1.173 2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.618 2.399 0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.582 2.507 3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.176 3.478 2.078 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.362 0.986 3.272 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.177 2.382 2.594 1.00 0.00 H new ATOM 115 N THR A 91 -10.046 -1.403 0.076 1.00 0.00 N ATOM 116 CA THR A 91 -9.677 -2.794 0.295 1.00 0.00 C ATOM 117 C THR A 91 -8.259 -3.104 -0.158 1.00 0.00 C ATOM 118 O THR A 91 -7.734 -2.495 -1.090 1.00 0.00 O ATOM 119 CB THR A 91 -10.644 -3.753 -0.421 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.969 -3.245 -1.721 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.914 -3.945 0.392 1.00 0.00 C ATOM 0 H THR A 91 -9.808 -1.037 -0.846 1.00 0.00 H new ATOM 0 HA THR A 91 -9.737 -2.945 1.373 1.00 0.00 H new ATOM 0 HB THR A 91 -10.152 -4.720 -0.527 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.583 -3.863 -2.169 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.583 -4.627 -0.133 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.662 -4.363 1.367 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.409 -2.983 0.527 1.00 0.00 H new ATOM 129 N CYS A 92 -7.654 -4.065 0.526 1.00 0.00 N ATOM 130 CA CYS A 92 -6.302 -4.510 0.228 1.00 0.00 C ATOM 131 C CYS A 92 -6.279 -5.317 -1.071 1.00 0.00 C ATOM 132 O CYS A 92 -7.146 -6.161 -1.299 1.00 0.00 O ATOM 133 CB CYS A 92 -5.799 -5.360 1.394 1.00 0.00 C ATOM 134 SG CYS A 92 -4.114 -5.980 1.221 1.00 0.00 S ATOM 0 H CYS A 92 -8.089 -4.559 1.305 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.651 -3.646 0.096 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.859 -4.768 2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.471 -6.209 1.520 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.877 -6.857 2.151 1.00 0.00 H new ATOM 139 N GLY A 93 -5.283 -5.057 -1.916 1.00 0.00 N ATOM 140 CA GLY A 93 -5.179 -5.762 -3.185 1.00 0.00 C ATOM 141 C GLY A 93 -4.506 -7.121 -3.068 1.00 0.00 C ATOM 142 O GLY A 93 -4.152 -7.731 -4.076 1.00 0.00 O ATOM 0 H GLY A 93 -4.547 -4.372 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.178 -5.894 -3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.619 -5.147 -3.889 1.00 0.00 H new ATOM 146 N ILE A 94 -4.329 -7.596 -1.841 1.00 0.00 N ATOM 147 CA ILE A 94 -3.701 -8.886 -1.600 1.00 0.00 C ATOM 148 C ILE A 94 -4.658 -9.826 -0.876 1.00 0.00 C ATOM 149 O ILE A 94 -5.138 -10.804 -1.451 1.00 0.00 O ATOM 150 CB ILE A 94 -2.407 -8.725 -0.771 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.384 -7.903 -1.546 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.818 -10.081 -0.409 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.606 -6.409 -1.464 1.00 0.00 C ATOM 0 H ILE A 94 -4.614 -7.103 -0.995 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.447 -9.315 -2.569 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.660 -8.204 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.387 -8.133 -1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.407 -8.207 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.908 -9.939 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.541 -10.647 0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.582 -10.630 -1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.837 -5.895 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.588 -6.164 -1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.553 -6.090 -0.423 1.00 0.00 H new ATOM 165 N CYS A 95 -4.932 -9.525 0.387 1.00 0.00 N ATOM 166 CA CYS A 95 -5.834 -10.345 1.187 1.00 0.00 C ATOM 167 C CYS A 95 -7.289 -9.889 1.043 1.00 0.00 C ATOM 168 O CYS A 95 -8.207 -10.573 1.496 1.00 0.00 O ATOM 169 CB CYS A 95 -5.414 -10.334 2.661 1.00 0.00 C ATOM 170 SG CYS A 95 -5.029 -8.683 3.335 1.00 0.00 S ATOM 0 H CYS A 95 -4.543 -8.721 0.879 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.766 -11.366 0.811 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.214 -10.776 3.255 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.539 -10.972 2.779 1.00 0.00 H new ATOM 175 N HIS A 96 -7.497 -8.731 0.412 1.00 0.00 N ATOM 176 CA HIS A 96 -8.840 -8.199 0.202 1.00 0.00 C ATOM 177 C HIS A 96 -9.656 -8.224 1.490 1.00 0.00 C ATOM 178 O HIS A 96 -10.884 -8.266 1.455 1.00 0.00 O ATOM 179 CB HIS A 96 -9.560 -8.995 -0.887 1.00 0.00 C ATOM 180 CG HIS A 96 -8.975 -8.807 -2.253 1.00 0.00 C ATOM 181 ND1 HIS A 96 -7.845 -9.467 -2.686 1.00 0.00 N ATOM 182 CD2 HIS A 96 -9.371 -8.027 -3.286 1.00 0.00 C ATOM 183 CE1 HIS A 96 -7.570 -9.101 -3.926 1.00 0.00 C ATOM 184 NE2 HIS A 96 -8.482 -8.229 -4.313 1.00 0.00 N ATOM 0 H HIS A 96 -6.750 -8.145 0.038 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.741 -7.161 -0.116 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.530 -10.054 -0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.609 -8.701 -0.907 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -7.305 -10.134 -2.135 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.227 -7.368 -3.300 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -6.741 -9.455 -4.521 1.00 0.00 H new ATOM 193 N LYS A 97 -8.966 -8.188 2.625 1.00 0.00 N ATOM 194 CA LYS A 97 -9.630 -8.204 3.922 1.00 0.00 C ATOM 195 C LYS A 97 -9.431 -6.875 4.641 1.00 0.00 C ATOM 196 O LYS A 97 -10.394 -6.195 4.993 1.00 0.00 O ATOM 197 CB LYS A 97 -9.088 -9.346 4.783 1.00 0.00 C ATOM 198 CG LYS A 97 -9.777 -9.469 6.132 1.00 0.00 C ATOM 199 CD LYS A 97 -9.012 -10.390 7.069 1.00 0.00 C ATOM 200 CE LYS A 97 -8.788 -11.760 6.449 1.00 0.00 C ATOM 201 NZ LYS A 97 -10.072 -12.431 6.101 1.00 0.00 N ATOM 0 H LYS A 97 -7.948 -8.148 2.672 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.696 -8.359 3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.200 -10.284 4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.020 -9.195 4.942 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.869 -8.482 6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.788 -9.851 5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.050 -9.941 7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.563 -10.499 8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.178 -11.657 5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.229 -12.386 7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.880 -13.400 5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.686 -12.462 6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.547 -11.900 5.344 1.00 0.00 H new ATOM 215 N THR A 98 -8.172 -6.514 4.856 1.00 0.00 N ATOM 216 CA THR A 98 -7.833 -5.271 5.529 1.00 0.00 C ATOM 217 C THR A 98 -8.311 -4.062 4.729 1.00 0.00 C ATOM 218 O THR A 98 -7.797 -3.781 3.646 1.00 0.00 O ATOM 219 CB THR A 98 -6.311 -5.165 5.757 1.00 0.00 C ATOM 220 OG1 THR A 98 -5.866 -6.235 6.600 1.00 0.00 O ATOM 221 CG2 THR A 98 -5.938 -3.832 6.389 1.00 0.00 C ATOM 0 H THR A 98 -7.366 -7.070 4.571 1.00 0.00 H new ATOM 0 HA THR A 98 -8.339 -5.277 6.494 1.00 0.00 H new ATOM 0 HB THR A 98 -5.822 -5.234 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.899 -6.162 6.739 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.859 -3.789 6.537 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.247 -3.019 5.732 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.440 -3.732 7.351 1.00 0.00 H new ATOM 229 N LYS A 99 -9.298 -3.352 5.267 1.00 0.00 N ATOM 230 CA LYS A 99 -9.835 -2.171 4.607 1.00 0.00 C ATOM 231 C LYS A 99 -9.145 -0.917 5.128 1.00 0.00 C ATOM 232 O LYS A 99 -9.093 -0.682 6.335 1.00 0.00 O ATOM 233 CB LYS A 99 -11.345 -2.073 4.830 1.00 0.00 C ATOM 234 CG LYS A 99 -12.130 -3.183 4.151 1.00 0.00 C ATOM 235 CD LYS A 99 -13.615 -3.093 4.467 1.00 0.00 C ATOM 236 CE LYS A 99 -13.885 -3.327 5.945 1.00 0.00 C ATOM 237 NZ LYS A 99 -15.339 -3.258 6.260 1.00 0.00 N ATOM 0 H LYS A 99 -9.741 -3.575 6.158 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.647 -2.257 3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.549 -2.097 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.697 -1.110 4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.983 -3.126 3.072 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.747 -4.151 4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.991 -2.111 4.178 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.159 -3.829 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.496 -4.303 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.350 -2.583 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.482 -3.423 7.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.705 -2.318 6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.847 -3.985 5.717 1.00 0.00 H new ATOM 251 N PHE A 100 -8.620 -0.115 4.211 1.00 0.00 N ATOM 252 CA PHE A 100 -7.917 1.108 4.587 1.00 0.00 C ATOM 253 C PHE A 100 -8.834 2.046 5.365 1.00 0.00 C ATOM 254 O PHE A 100 -10.046 1.840 5.422 1.00 0.00 O ATOM 255 CB PHE A 100 -7.371 1.820 3.348 1.00 0.00 C ATOM 256 CG PHE A 100 -6.736 0.893 2.349 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.803 -0.050 2.752 1.00 0.00 C ATOM 258 CD2 PHE A 100 -7.069 0.968 1.006 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.212 -0.898 1.833 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.483 0.122 0.083 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.553 -0.811 0.497 1.00 0.00 C ATOM 0 H PHE A 100 -8.666 -0.286 3.207 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.081 0.829 5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.184 2.361 2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.636 2.562 3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.535 -0.123 3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.795 1.696 0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.485 -1.627 2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.752 0.191 -0.961 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.093 -1.472 -0.223 1.00 0.00 H new ATOM 271 N ALA A 101 -8.246 3.078 5.962 1.00 0.00 N ATOM 272 CA ALA A 101 -9.006 4.047 6.744 1.00 0.00 C ATOM 273 C ALA A 101 -10.234 4.534 5.984 1.00 0.00 C ATOM 274 O ALA A 101 -11.364 4.174 6.310 1.00 0.00 O ATOM 275 CB ALA A 101 -8.123 5.225 7.130 1.00 0.00 C ATOM 0 H ALA A 101 -7.244 3.265 5.919 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.349 3.549 7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.704 5.940 7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.282 4.870 7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.750 5.711 6.228 1.00 0.00 H new ATOM 281 N ASP A 102 -10.000 5.356 4.968 1.00 0.00 N ATOM 282 CA ASP A 102 -11.084 5.896 4.156 1.00 0.00 C ATOM 283 C ASP A 102 -10.537 6.768 3.029 1.00 0.00 C ATOM 284 O ASP A 102 -10.525 7.994 3.130 1.00 0.00 O ATOM 285 CB ASP A 102 -12.044 6.710 5.024 1.00 0.00 C ATOM 286 CG ASP A 102 -13.191 7.294 4.224 1.00 0.00 C ATOM 287 OD1 ASP A 102 -14.224 6.608 4.077 1.00 0.00 O ATOM 288 OD2 ASP A 102 -13.057 8.440 3.743 1.00 0.00 O ATOM 0 H ASP A 102 -9.069 5.663 4.687 1.00 0.00 H new ATOM 0 HA ASP A 102 -11.625 5.059 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -12.443 6.074 5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.495 7.517 5.510 1.00 0.00 H new ATOM 293 N GLY A 103 -10.086 6.127 1.956 1.00 0.00 N ATOM 294 CA GLY A 103 -9.545 6.862 0.828 1.00 0.00 C ATOM 295 C GLY A 103 -8.497 6.073 0.066 1.00 0.00 C ATOM 296 O GLY A 103 -8.803 5.432 -0.939 1.00 0.00 O ATOM 0 H GLY A 103 -10.085 5.113 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.356 7.130 0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.106 7.794 1.183 1.00 0.00 H new ATOM 300 N CYS A 104 -7.258 6.122 0.545 1.00 0.00 N ATOM 301 CA CYS A 104 -6.163 5.408 -0.100 1.00 0.00 C ATOM 302 C CYS A 104 -5.163 4.891 0.930 1.00 0.00 C ATOM 303 O CYS A 104 -4.389 5.660 1.501 1.00 0.00 O ATOM 304 CB CYS A 104 -5.453 6.321 -1.101 1.00 0.00 C ATOM 305 SG CYS A 104 -4.074 5.535 -1.967 1.00 0.00 S ATOM 0 H CYS A 104 -6.988 6.648 1.376 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.584 4.553 -0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -6.178 6.670 -1.836 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -5.083 7.201 -0.575 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.539 6.385 -2.792 1.00 0.00 H new ATOM 311 N GLY A 105 -5.184 3.582 1.160 1.00 0.00 N ATOM 312 CA GLY A 105 -4.274 2.980 2.120 1.00 0.00 C ATOM 313 C GLY A 105 -2.825 3.080 1.687 1.00 0.00 C ATOM 314 O GLY A 105 -2.373 4.135 1.242 1.00 0.00 O ATOM 0 H GLY A 105 -5.815 2.926 0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.396 3.468 3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.537 1.931 2.257 1.00 0.00 H new ATOM 318 N HIS A 106 -2.096 1.978 1.819 1.00 0.00 N ATOM 319 CA HIS A 106 -0.690 1.942 1.431 1.00 0.00 C ATOM 320 C HIS A 106 -0.544 1.380 0.024 1.00 0.00 C ATOM 321 O HIS A 106 -0.903 0.233 -0.239 1.00 0.00 O ATOM 322 CB HIS A 106 0.117 1.099 2.417 1.00 0.00 C ATOM 323 CG HIS A 106 -0.034 1.537 3.840 1.00 0.00 C ATOM 324 ND1 HIS A 106 -0.713 0.802 4.787 1.00 0.00 N ATOM 325 CD2 HIS A 106 0.412 2.647 4.476 1.00 0.00 C ATOM 326 CE1 HIS A 106 -0.679 1.439 5.945 1.00 0.00 C ATOM 327 NE2 HIS A 106 -0.001 2.560 5.782 1.00 0.00 N ATOM 0 H HIS A 106 -2.454 1.098 2.191 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.304 2.961 1.446 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.193 0.058 2.331 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.171 1.142 2.142 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.985 3.450 4.037 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -1.129 1.100 6.867 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.186 3.250 6.509 1.00 0.00 H new ATOM 336 N ASN A 107 -0.013 2.197 -0.877 1.00 0.00 N ATOM 337 CA ASN A 107 0.164 1.793 -2.267 1.00 0.00 C ATOM 338 C ASN A 107 1.633 1.529 -2.585 1.00 0.00 C ATOM 339 O ASN A 107 2.511 2.305 -2.208 1.00 0.00 O ATOM 340 CB ASN A 107 -0.384 2.870 -3.212 1.00 0.00 C ATOM 341 CG ASN A 107 -1.885 2.760 -3.438 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.375 3.035 -4.533 1.00 0.00 O ATOM 343 ND2 ASN A 107 -2.624 2.370 -2.405 1.00 0.00 N ATOM 0 H ASN A 107 0.303 3.144 -0.670 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.392 0.867 -2.415 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -0.156 3.854 -2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 107 0.128 2.797 -4.172 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -3.636 2.289 -2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.179 2.151 -1.514 1.00 0.00 H new ATOM 350 N CYS A 108 1.890 0.426 -3.284 1.00 0.00 N ATOM 351 CA CYS A 108 3.250 0.054 -3.661 1.00 0.00 C ATOM 352 C CYS A 108 3.922 1.173 -4.448 1.00 0.00 C ATOM 353 O CYS A 108 3.401 1.632 -5.463 1.00 0.00 O ATOM 354 CB CYS A 108 3.234 -1.226 -4.502 1.00 0.00 C ATOM 355 SG CYS A 108 4.873 -1.915 -4.839 1.00 0.00 S ATOM 0 H CYS A 108 1.173 -0.226 -3.601 1.00 0.00 H new ATOM 0 HA CYS A 108 3.818 -0.120 -2.747 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.635 -1.978 -3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.738 -1.018 -5.450 1.00 0.00 H new ATOM 0 HG CYS A 108 4.753 -3.150 -5.226 1.00 0.00 H new ATOM 360 N SER A 109 5.085 1.606 -3.975 1.00 0.00 N ATOM 361 CA SER A 109 5.833 2.668 -4.636 1.00 0.00 C ATOM 362 C SER A 109 6.173 2.290 -6.076 1.00 0.00 C ATOM 363 O SER A 109 6.508 3.153 -6.889 1.00 0.00 O ATOM 364 CB SER A 109 7.117 2.972 -3.860 1.00 0.00 C ATOM 365 OG SER A 109 7.858 4.006 -4.483 1.00 0.00 O ATOM 0 H SER A 109 5.531 1.237 -3.135 1.00 0.00 H new ATOM 0 HA SER A 109 5.205 3.559 -4.656 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.868 3.263 -2.839 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.728 2.072 -3.795 1.00 0.00 H new ATOM 0 HG SER A 109 8.084 4.692 -3.820 1.00 0.00 H new ATOM 371 N TYR A 110 6.091 0.998 -6.390 1.00 0.00 N ATOM 372 CA TYR A 110 6.394 0.517 -7.732 1.00 0.00 C ATOM 373 C TYR A 110 5.122 0.114 -8.480 1.00 0.00 C ATOM 374 O TYR A 110 4.657 0.831 -9.365 1.00 0.00 O ATOM 375 CB TYR A 110 7.353 -0.675 -7.659 1.00 0.00 C ATOM 376 CG TYR A 110 8.684 -0.347 -7.019 1.00 0.00 C ATOM 377 CD1 TYR A 110 9.692 0.268 -7.750 1.00 0.00 C ATOM 378 CD2 TYR A 110 8.937 -0.657 -5.685 1.00 0.00 C ATOM 379 CE1 TYR A 110 10.912 0.566 -7.175 1.00 0.00 C ATOM 380 CE2 TYR A 110 10.155 -0.361 -5.104 1.00 0.00 C ATOM 381 CZ TYR A 110 11.139 0.249 -5.853 1.00 0.00 C ATOM 382 OH TYR A 110 12.353 0.545 -5.277 1.00 0.00 O ATOM 0 H TYR A 110 5.817 0.268 -5.732 1.00 0.00 H new ATOM 0 HA TYR A 110 6.867 1.331 -8.281 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.878 -1.478 -7.096 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.528 -1.052 -8.667 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.519 0.518 -8.786 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.169 -1.136 -5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.684 1.045 -7.758 1.00 0.00 H new ATOM 0 HE2 TYR A 110 10.336 -0.606 -4.068 1.00 0.00 H new ATOM 0 HH TYR A 110 12.734 1.339 -5.706 1.00 0.00 H new ATOM 392 N CYS A 111 4.568 -1.038 -8.115 1.00 0.00 N ATOM 393 CA CYS A 111 3.358 -1.553 -8.752 1.00 0.00 C ATOM 394 C CYS A 111 2.188 -0.588 -8.603 1.00 0.00 C ATOM 395 O CYS A 111 1.255 -0.605 -9.406 1.00 0.00 O ATOM 396 CB CYS A 111 2.968 -2.903 -8.145 1.00 0.00 C ATOM 397 SG CYS A 111 4.364 -4.039 -7.872 1.00 0.00 S ATOM 0 H CYS A 111 4.939 -1.636 -7.377 1.00 0.00 H new ATOM 0 HA CYS A 111 3.580 -1.671 -9.813 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.467 -2.728 -7.193 1.00 0.00 H new ATOM 0 HB3 CYS A 111 2.245 -3.387 -8.802 1.00 0.00 H new ATOM 402 N GLN A 112 2.241 0.246 -7.570 1.00 0.00 N ATOM 403 CA GLN A 112 1.175 1.208 -7.299 1.00 0.00 C ATOM 404 C GLN A 112 -0.072 0.511 -6.750 1.00 0.00 C ATOM 405 O GLN A 112 -1.105 1.150 -6.550 1.00 0.00 O ATOM 406 CB GLN A 112 0.820 1.993 -8.564 1.00 0.00 C ATOM 407 CG GLN A 112 2.026 2.598 -9.262 1.00 0.00 C ATOM 408 CD GLN A 112 2.780 3.569 -8.375 1.00 0.00 C ATOM 409 OE1 GLN A 112 2.193 4.232 -7.521 1.00 0.00 O ATOM 410 NE2 GLN A 112 4.091 3.655 -8.573 1.00 0.00 N ATOM 0 H GLN A 112 3.013 0.276 -6.904 1.00 0.00 H new ATOM 0 HA GLN A 112 1.542 1.903 -6.544 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.302 1.332 -9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.124 2.790 -8.304 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.699 1.800 -9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.699 3.114 -10.165 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.536 3.086 -9.293 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.652 4.290 -8.005 1.00 0.00 H new ATOM 419 N THR A 113 0.023 -0.799 -6.509 1.00 0.00 N ATOM 420 CA THR A 113 -1.099 -1.560 -5.982 1.00 0.00 C ATOM 421 C THR A 113 -1.436 -1.119 -4.564 1.00 0.00 C ATOM 422 O THR A 113 -0.544 -0.821 -3.770 1.00 0.00 O ATOM 423 CB THR A 113 -0.804 -3.072 -5.982 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.512 -3.516 -7.312 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.987 -3.856 -5.431 1.00 0.00 C ATOM 0 H THR A 113 0.866 -1.349 -6.672 1.00 0.00 H new ATOM 0 HA THR A 113 -1.950 -1.366 -6.635 1.00 0.00 H new ATOM 0 HB THR A 113 0.060 -3.249 -5.342 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.324 -4.478 -7.302 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.754 -4.921 -5.441 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.189 -3.539 -4.408 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.866 -3.671 -6.049 1.00 0.00 H new ATOM 433 N LYS A 114 -2.725 -1.084 -4.248 1.00 0.00 N ATOM 434 CA LYS A 114 -3.169 -0.673 -2.922 1.00 0.00 C ATOM 435 C LYS A 114 -3.138 -1.851 -1.952 1.00 0.00 C ATOM 436 O LYS A 114 -3.962 -2.762 -2.043 1.00 0.00 O ATOM 437 CB LYS A 114 -4.584 -0.097 -2.991 1.00 0.00 C ATOM 438 CG LYS A 114 -4.814 0.813 -4.187 1.00 0.00 C ATOM 439 CD LYS A 114 -6.126 1.569 -4.062 1.00 0.00 C ATOM 440 CE LYS A 114 -7.315 0.623 -4.055 1.00 0.00 C ATOM 441 NZ LYS A 114 -8.599 1.348 -3.847 1.00 0.00 N ATOM 0 H LYS A 114 -3.478 -1.334 -4.889 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.487 0.096 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.300 -0.918 -3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.785 0.461 -2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.990 1.522 -4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.819 0.220 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.122 2.157 -3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.223 2.271 -4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.353 0.081 -5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.185 -0.118 -3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.386 0.668 -3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.573 1.845 -2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.736 2.038 -4.613 1.00 0.00 H new ATOM 455 N PHE A 115 -2.186 -1.826 -1.024 1.00 0.00 N ATOM 456 CA PHE A 115 -2.053 -2.899 -0.043 1.00 0.00 C ATOM 457 C PHE A 115 -2.118 -2.361 1.382 1.00 0.00 C ATOM 458 O PHE A 115 -1.966 -1.163 1.618 1.00 0.00 O ATOM 459 CB PHE A 115 -0.751 -3.674 -0.256 1.00 0.00 C ATOM 460 CG PHE A 115 0.495 -2.835 -0.181 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.870 -2.218 1.002 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.300 -2.678 -1.298 1.00 0.00 C ATOM 463 CE1 PHE A 115 2.024 -1.461 1.069 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.454 -1.920 -1.236 1.00 0.00 C ATOM 465 CZ PHE A 115 2.817 -1.313 -0.052 1.00 0.00 C ATOM 0 H PHE A 115 -1.498 -1.079 -0.930 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.892 -3.579 -0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.687 -4.464 0.492 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.788 -4.160 -1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.253 -2.330 1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.023 -3.153 -2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.306 -0.986 1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 115 3.071 -1.803 -2.114 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.720 -0.723 -0.002 1.00 0.00 H new ATOM 475 N CYS A 116 -2.342 -3.266 2.329 1.00 0.00 N ATOM 476 CA CYS A 116 -2.440 -2.904 3.737 1.00 0.00 C ATOM 477 C CYS A 116 -1.060 -2.880 4.385 1.00 0.00 C ATOM 478 O CYS A 116 -0.079 -3.331 3.795 1.00 0.00 O ATOM 479 CB CYS A 116 -3.348 -3.891 4.474 1.00 0.00 C ATOM 480 SG CYS A 116 -2.713 -5.600 4.522 1.00 0.00 S ATOM 0 H CYS A 116 -2.460 -4.262 2.144 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.871 -1.905 3.805 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.493 -3.540 5.496 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.328 -3.893 3.996 1.00 0.00 H new ATOM 485 N ALA A 117 -0.992 -2.358 5.603 1.00 0.00 N ATOM 486 CA ALA A 117 0.270 -2.271 6.327 1.00 0.00 C ATOM 487 C ALA A 117 0.900 -3.648 6.537 1.00 0.00 C ATOM 488 O ALA A 117 2.085 -3.750 6.852 1.00 0.00 O ATOM 489 CB ALA A 117 0.060 -1.576 7.664 1.00 0.00 C ATOM 0 H ALA A 117 -1.796 -1.988 6.110 1.00 0.00 H new ATOM 0 HA ALA A 117 0.960 -1.684 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.009 -1.517 8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.325 -0.570 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.655 -2.143 8.260 1.00 0.00 H new ATOM 495 N ARG A 118 0.109 -4.705 6.362 1.00 0.00 N ATOM 496 CA ARG A 118 0.611 -6.065 6.545 1.00 0.00 C ATOM 497 C ARG A 118 1.073 -6.681 5.225 1.00 0.00 C ATOM 498 O ARG A 118 1.799 -7.675 5.221 1.00 0.00 O ATOM 499 CB ARG A 118 -0.461 -6.949 7.185 1.00 0.00 C ATOM 500 CG ARG A 118 -0.965 -6.422 8.519 1.00 0.00 C ATOM 501 CD ARG A 118 -1.765 -7.473 9.273 1.00 0.00 C ATOM 502 NE ARG A 118 -2.923 -7.934 8.512 1.00 0.00 N ATOM 503 CZ ARG A 118 -3.875 -8.711 9.020 1.00 0.00 C ATOM 504 NH1 ARG A 118 -3.809 -9.105 10.284 1.00 0.00 N ATOM 505 NH2 ARG A 118 -4.895 -9.095 8.264 1.00 0.00 N ATOM 0 H ARG A 118 -0.874 -4.647 6.096 1.00 0.00 H new ATOM 0 HA ARG A 118 1.474 -6.007 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.303 -7.041 6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.056 -7.951 7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.119 -6.103 9.127 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.587 -5.542 8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -1.121 -8.322 9.502 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -2.099 -7.060 10.225 1.00 0.00 H new ATOM 0 HE ARG A 118 -3.006 -7.644 7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -3.027 -8.812 10.869 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.541 -9.701 10.671 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -4.950 -8.794 7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.624 -9.691 8.656 1.00 0.00 H new ATOM 519 N CYS A 119 0.656 -6.093 4.106 1.00 0.00 N ATOM 520 CA CYS A 119 1.046 -6.600 2.795 1.00 0.00 C ATOM 521 C CYS A 119 2.059 -5.673 2.135 1.00 0.00 C ATOM 522 O CYS A 119 2.100 -5.545 0.912 1.00 0.00 O ATOM 523 CB CYS A 119 -0.177 -6.762 1.895 1.00 0.00 C ATOM 524 SG CYS A 119 -1.246 -8.168 2.343 1.00 0.00 S ATOM 0 H CYS A 119 0.053 -5.271 4.081 1.00 0.00 H new ATOM 0 HA CYS A 119 1.509 -7.576 2.937 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.766 -5.845 1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.157 -6.886 0.865 1.00 0.00 H new ATOM 529 N GLY A 120 2.874 -5.031 2.962 1.00 0.00 N ATOM 530 CA GLY A 120 3.886 -4.123 2.459 1.00 0.00 C ATOM 531 C GLY A 120 4.705 -3.505 3.576 1.00 0.00 C ATOM 532 O GLY A 120 4.338 -3.598 4.748 1.00 0.00 O ATOM 0 H GLY A 120 2.852 -5.124 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.548 -4.659 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.408 -3.332 1.881 1.00 0.00 H new ATOM 536 N GLY A 121 5.817 -2.873 3.218 1.00 0.00 N ATOM 537 CA GLY A 121 6.669 -2.253 4.216 1.00 0.00 C ATOM 538 C GLY A 121 6.734 -0.745 4.079 1.00 0.00 C ATOM 539 O GLY A 121 6.538 -0.202 2.992 1.00 0.00 O ATOM 0 H GLY A 121 6.144 -2.779 2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.301 -2.507 5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.675 -2.664 4.134 1.00 0.00 H new ATOM 543 N ARG A 122 7.009 -0.068 5.189 1.00 0.00 N ATOM 544 CA ARG A 122 7.104 1.386 5.200 1.00 0.00 C ATOM 545 C ARG A 122 8.525 1.840 4.881 1.00 0.00 C ATOM 546 O ARG A 122 9.492 1.322 5.440 1.00 0.00 O ATOM 547 CB ARG A 122 6.674 1.929 6.564 1.00 0.00 C ATOM 548 CG ARG A 122 6.771 3.441 6.678 1.00 0.00 C ATOM 549 CD ARG A 122 6.253 3.929 8.021 1.00 0.00 C ATOM 550 NE ARG A 122 6.311 5.383 8.138 1.00 0.00 N ATOM 551 CZ ARG A 122 5.648 6.073 9.061 1.00 0.00 C ATOM 552 NH1 ARG A 122 4.881 5.441 9.939 1.00 0.00 N ATOM 553 NH2 ARG A 122 5.752 7.394 9.109 1.00 0.00 N ATOM 0 H ARG A 122 7.170 -0.506 6.096 1.00 0.00 H new ATOM 0 HA ARG A 122 6.438 1.779 4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.646 1.624 6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.293 1.475 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.808 3.751 6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.199 3.906 5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 122 5.224 3.596 8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.840 3.478 8.821 1.00 0.00 H new ATOM 0 HE ARG A 122 6.892 5.897 7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.799 4.425 9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.373 5.971 10.647 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.342 7.884 8.436 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.242 7.920 9.818 1.00 0.00 H new ATOM 567 N VAL A 123 8.644 2.811 3.981 1.00 0.00 N ATOM 568 CA VAL A 123 9.949 3.332 3.590 1.00 0.00 C ATOM 569 C VAL A 123 9.965 4.856 3.630 1.00 0.00 C ATOM 570 O VAL A 123 10.003 5.515 2.590 1.00 0.00 O ATOM 571 CB VAL A 123 10.336 2.866 2.174 1.00 0.00 C ATOM 572 CG1 VAL A 123 11.766 3.273 1.851 1.00 0.00 C ATOM 573 CG2 VAL A 123 10.157 1.362 2.038 1.00 0.00 C ATOM 0 H VAL A 123 7.854 3.252 3.510 1.00 0.00 H new ATOM 0 HA VAL A 123 10.673 2.943 4.305 1.00 0.00 H new ATOM 0 HB VAL A 123 9.674 3.352 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.022 2.936 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.856 4.358 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.445 2.817 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.435 1.052 1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 123 10.792 0.853 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.115 1.101 2.223 1.00 0.00 H new ATOM 583 N SER A 124 9.936 5.412 4.836 1.00 0.00 N ATOM 584 CA SER A 124 9.946 6.860 5.009 1.00 0.00 C ATOM 585 C SER A 124 11.365 7.381 5.209 1.00 0.00 C ATOM 586 O SER A 124 12.067 6.964 6.130 1.00 0.00 O ATOM 587 CB SER A 124 9.072 7.258 6.199 1.00 0.00 C ATOM 588 OG SER A 124 9.538 6.659 7.397 1.00 0.00 O ATOM 0 H SER A 124 9.905 4.883 5.707 1.00 0.00 H new ATOM 0 HA SER A 124 9.542 7.309 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 124 9.071 8.343 6.307 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.041 6.956 6.014 1.00 0.00 H new ATOM 0 HG SER A 124 10.507 6.524 7.340 1.00 0.00 H new ATOM 594 N LEU A 125 11.779 8.295 4.339 1.00 0.00 N ATOM 595 CA LEU A 125 13.113 8.882 4.418 1.00 0.00 C ATOM 596 C LEU A 125 13.083 10.178 5.220 1.00 0.00 C ATOM 597 O LEU A 125 12.014 10.713 5.513 1.00 0.00 O ATOM 598 CB LEU A 125 13.658 9.151 3.014 1.00 0.00 C ATOM 599 CG LEU A 125 13.945 7.904 2.173 1.00 0.00 C ATOM 600 CD1 LEU A 125 14.997 7.039 2.842 1.00 0.00 C ATOM 601 CD2 LEU A 125 12.668 7.111 1.940 1.00 0.00 C ATOM 0 H LEU A 125 11.210 8.647 3.569 1.00 0.00 H new ATOM 0 HA LEU A 125 13.769 8.174 4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.942 9.774 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.578 9.728 3.104 1.00 0.00 H new ATOM 0 HG LEU A 125 14.331 8.224 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 125 15.187 6.158 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 125 15.919 7.609 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.641 6.728 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.892 6.229 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 125 12.251 6.802 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 125 11.944 7.733 1.413 1.00 0.00 H new ATOM 613 N ARG A 126 14.263 10.680 5.574 1.00 0.00 N ATOM 614 CA ARG A 126 14.365 11.915 6.342 1.00 0.00 C ATOM 615 C ARG A 126 14.514 13.121 5.422 1.00 0.00 C ATOM 616 O ARG A 126 15.292 14.035 5.700 1.00 0.00 O ATOM 617 CB ARG A 126 15.549 11.845 7.308 1.00 0.00 C ATOM 618 CG ARG A 126 15.381 10.805 8.403 1.00 0.00 C ATOM 619 CD ARG A 126 16.519 10.871 9.410 1.00 0.00 C ATOM 620 NE ARG A 126 17.808 10.546 8.803 1.00 0.00 N ATOM 621 CZ ARG A 126 18.279 9.308 8.685 1.00 0.00 C ATOM 622 NH1 ARG A 126 17.562 8.274 9.105 1.00 0.00 N ATOM 623 NH2 ARG A 126 19.469 9.102 8.137 1.00 0.00 N ATOM 0 H ARG A 126 15.159 10.251 5.342 1.00 0.00 H new ATOM 0 HA ARG A 126 13.445 12.032 6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 126 16.455 11.623 6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 126 15.691 12.824 7.767 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.431 10.963 8.914 1.00 0.00 H new ATOM 0 HG3 ARG A 126 15.343 9.810 7.959 1.00 0.00 H new ATOM 0 HD2 ARG A 126 16.564 11.871 9.841 1.00 0.00 H new ATOM 0 HD3 ARG A 126 16.319 10.179 10.228 1.00 0.00 H new ATOM 0 HE ARG A 126 18.380 11.313 8.449 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.643 8.426 9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.929 7.327 9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 126 20.022 9.893 7.807 1.00 0.00 H new ATOM 0 HH22 ARG A 126 19.831 8.153 8.046 1.00 0.00 H new ATOM 637 N SER A 127 13.765 13.117 4.325 1.00 0.00 N ATOM 638 CA SER A 127 13.808 14.210 3.362 1.00 0.00 C ATOM 639 C SER A 127 12.425 14.461 2.769 1.00 0.00 C ATOM 640 O SER A 127 12.299 14.922 1.636 1.00 0.00 O ATOM 641 CB SER A 127 14.806 13.897 2.246 1.00 0.00 C ATOM 642 OG SER A 127 16.110 13.708 2.767 1.00 0.00 O ATOM 0 H SER A 127 13.119 12.366 4.080 1.00 0.00 H new ATOM 0 HA SER A 127 14.131 15.111 3.884 1.00 0.00 H new ATOM 0 HB2 SER A 127 14.491 13.000 1.713 1.00 0.00 H new ATOM 0 HB3 SER A 127 14.815 14.712 1.522 1.00 0.00 H new ATOM 0 HG SER A 127 16.729 13.508 2.034 1.00 0.00 H new ATOM 648 N ASN A 128 11.392 14.149 3.546 1.00 0.00 N ATOM 649 CA ASN A 128 10.014 14.338 3.108 1.00 0.00 C ATOM 650 C ASN A 128 9.676 13.412 1.943 1.00 0.00 C ATOM 651 O ASN A 128 9.378 13.870 0.840 1.00 0.00 O ATOM 652 CB ASN A 128 9.780 15.794 2.701 1.00 0.00 C ATOM 653 CG ASN A 128 10.042 16.762 3.838 1.00 0.00 C ATOM 654 OD1 ASN A 128 11.163 17.239 4.017 1.00 0.00 O ATOM 655 ND2 ASN A 128 9.007 17.058 4.614 1.00 0.00 N ATOM 0 H ASN A 128 11.484 13.763 4.486 1.00 0.00 H new ATOM 0 HA ASN A 128 9.360 14.091 3.944 1.00 0.00 H new ATOM 0 HB2 ASN A 128 10.428 16.042 1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 128 8.752 15.911 2.357 1.00 0.00 H new ATOM 0 HD21 ASN A 128 9.123 17.704 5.395 1.00 0.00 H new ATOM 0 HD22 ASN A 128 8.095 16.640 4.430 1.00 0.00 H new ATOM 662 N LYS A 129 9.723 12.107 2.194 1.00 0.00 N ATOM 663 CA LYS A 129 9.419 11.122 1.166 1.00 0.00 C ATOM 664 C LYS A 129 8.890 9.830 1.776 1.00 0.00 C ATOM 665 O LYS A 129 9.660 8.947 2.153 1.00 0.00 O ATOM 666 CB LYS A 129 10.661 10.826 0.333 1.00 0.00 C ATOM 667 CG LYS A 129 10.862 11.788 -0.825 1.00 0.00 C ATOM 668 CD LYS A 129 12.014 11.354 -1.717 1.00 0.00 C ATOM 669 CE LYS A 129 12.145 12.256 -2.933 1.00 0.00 C ATOM 670 NZ LYS A 129 13.219 11.794 -3.854 1.00 0.00 N ATOM 0 H LYS A 129 9.969 11.709 3.100 1.00 0.00 H new ATOM 0 HA LYS A 129 8.644 11.541 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.538 10.861 0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.593 9.811 -0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 129 9.947 11.846 -1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.057 12.788 -0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 129 12.943 11.371 -1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 129 11.858 10.325 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 129 11.196 12.284 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 129 12.359 13.274 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 13.276 12.436 -4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.130 11.791 -3.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 13.003 10.832 -4.185 1.00 0.00 H new ATOM 684 N VAL A 130 7.569 9.727 1.868 1.00 0.00 N ATOM 685 CA VAL A 130 6.927 8.542 2.422 1.00 0.00 C ATOM 686 C VAL A 130 6.446 7.615 1.309 1.00 0.00 C ATOM 687 O VAL A 130 5.588 7.988 0.509 1.00 0.00 O ATOM 688 CB VAL A 130 5.733 8.918 3.315 1.00 0.00 C ATOM 689 CG1 VAL A 130 5.197 7.691 4.034 1.00 0.00 C ATOM 690 CG2 VAL A 130 6.135 9.994 4.311 1.00 0.00 C ATOM 0 H VAL A 130 6.920 10.453 1.565 1.00 0.00 H new ATOM 0 HA VAL A 130 7.672 8.026 3.027 1.00 0.00 H new ATOM 0 HB VAL A 130 4.939 9.315 2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 130 4.353 7.977 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 130 4.871 6.953 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 130 5.982 7.262 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 130 5.279 10.249 4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.945 9.624 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 130 6.469 10.881 3.773 1.00 0.00 H new ATOM 700 N MET A 131 7.004 6.410 1.260 1.00 0.00 N ATOM 701 CA MET A 131 6.629 5.440 0.239 1.00 0.00 C ATOM 702 C MET A 131 6.486 4.040 0.823 1.00 0.00 C ATOM 703 O MET A 131 7.241 3.641 1.708 1.00 0.00 O ATOM 704 CB MET A 131 7.670 5.432 -0.875 1.00 0.00 C ATOM 705 CG MET A 131 7.963 6.815 -1.423 1.00 0.00 C ATOM 706 SD MET A 131 9.041 6.781 -2.867 1.00 0.00 S ATOM 707 CE MET A 131 10.540 6.112 -2.152 1.00 0.00 C ATOM 0 H MET A 131 7.715 6.083 1.914 1.00 0.00 H new ATOM 0 HA MET A 131 5.661 5.736 -0.165 1.00 0.00 H new ATOM 0 HB2 MET A 131 8.594 4.994 -0.498 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.321 4.792 -1.686 1.00 0.00 H new ATOM 0 HG2 MET A 131 7.025 7.302 -1.687 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.427 7.419 -0.643 1.00 0.00 H new ATOM 0 HE1 MET A 131 11.373 6.274 -2.836 1.00 0.00 H new ATOM 0 HE2 MET A 131 10.745 6.611 -1.205 1.00 0.00 H new ATOM 0 HE3 MET A 131 10.415 5.043 -1.979 1.00 0.00 H new ATOM 717 N TRP A 132 5.507 3.304 0.313 1.00 0.00 N ATOM 718 CA TRP A 132 5.250 1.943 0.768 1.00 0.00 C ATOM 719 C TRP A 132 5.528 0.936 -0.346 1.00 0.00 C ATOM 720 O TRP A 132 5.126 1.136 -1.491 1.00 0.00 O ATOM 721 CB TRP A 132 3.805 1.808 1.251 1.00 0.00 C ATOM 722 CG TRP A 132 3.599 2.282 2.657 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.391 3.566 3.072 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.579 1.470 3.835 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.244 3.602 4.438 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.356 2.326 4.930 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.728 0.100 4.071 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.277 1.857 6.239 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.651 -0.365 5.370 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.427 0.512 6.439 1.00 0.00 C ATOM 0 H TRP A 132 4.875 3.628 -0.419 1.00 0.00 H new ATOM 0 HA TRP A 132 5.922 1.730 1.599 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.153 2.374 0.586 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.502 0.763 1.180 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.348 4.427 2.422 1.00 0.00 H new ATOM 0 HE1 TRP A 132 3.079 4.440 4.995 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.900 -0.583 3.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 3.104 2.530 7.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.765 -1.421 5.564 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.372 0.118 7.443 1.00 0.00 H new ATOM 741 N VAL A 133 6.217 -0.146 0.000 1.00 0.00 N ATOM 742 CA VAL A 133 6.554 -1.185 -0.967 1.00 0.00 C ATOM 743 C VAL A 133 5.936 -2.523 -0.561 1.00 0.00 C ATOM 744 O VAL A 133 6.064 -2.949 0.586 1.00 0.00 O ATOM 745 CB VAL A 133 8.081 -1.343 -1.096 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.434 -2.330 -2.194 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.732 0.002 -1.353 1.00 0.00 C ATOM 0 H VAL A 133 6.554 -0.327 0.946 1.00 0.00 H new ATOM 0 HA VAL A 133 6.147 -0.882 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 133 8.464 -1.738 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.518 -2.423 -2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 133 8.000 -3.303 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 133 8.038 -1.973 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.811 -0.127 -1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.340 0.425 -2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.514 0.676 -0.525 1.00 0.00 H new ATOM 757 N CYS A 134 5.265 -3.182 -1.506 1.00 0.00 N ATOM 758 CA CYS A 134 4.620 -4.464 -1.228 1.00 0.00 C ATOM 759 C CYS A 134 5.646 -5.537 -0.880 1.00 0.00 C ATOM 760 O CYS A 134 6.813 -5.451 -1.262 1.00 0.00 O ATOM 761 CB CYS A 134 3.768 -4.916 -2.419 1.00 0.00 C ATOM 762 SG CYS A 134 4.719 -5.362 -3.909 1.00 0.00 S ATOM 0 H CYS A 134 5.155 -2.851 -2.465 1.00 0.00 H new ATOM 0 HA CYS A 134 3.969 -4.322 -0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.170 -5.775 -2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 134 3.072 -4.117 -2.674 1.00 0.00 H new ATOM 767 N ASN A 135 5.189 -6.550 -0.151 1.00 0.00 N ATOM 768 CA ASN A 135 6.044 -7.656 0.278 1.00 0.00 C ATOM 769 C ASN A 135 6.794 -8.289 -0.892 1.00 0.00 C ATOM 770 O ASN A 135 7.825 -8.933 -0.697 1.00 0.00 O ATOM 771 CB ASN A 135 5.205 -8.721 0.987 1.00 0.00 C ATOM 772 CG ASN A 135 4.584 -8.209 2.272 1.00 0.00 C ATOM 773 OD1 ASN A 135 4.359 -7.010 2.431 1.00 0.00 O ATOM 774 ND2 ASN A 135 4.295 -9.120 3.194 1.00 0.00 N ATOM 0 H ASN A 135 4.220 -6.629 0.159 1.00 0.00 H new ATOM 0 HA ASN A 135 6.784 -7.247 0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.416 -9.063 0.317 1.00 0.00 H new ATOM 0 HB3 ASN A 135 5.832 -9.585 1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 135 3.869 -8.836 4.076 1.00 0.00 H new ATOM 0 HD22 ASN A 135 4.499 -10.104 3.020 1.00 0.00 H new ATOM 781 N LEU A 136 6.285 -8.098 -2.104 1.00 0.00 N ATOM 782 CA LEU A 136 6.915 -8.669 -3.290 1.00 0.00 C ATOM 783 C LEU A 136 8.058 -7.785 -3.774 1.00 0.00 C ATOM 784 O LEU A 136 9.063 -8.274 -4.290 1.00 0.00 O ATOM 785 CB LEU A 136 5.887 -8.839 -4.408 1.00 0.00 C ATOM 786 CG LEU A 136 4.508 -9.311 -3.951 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.554 -9.395 -5.132 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.616 -10.657 -3.253 1.00 0.00 C ATOM 0 H LEU A 136 5.442 -7.555 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 136 7.317 -9.646 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.775 -7.887 -4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.277 -9.553 -5.134 1.00 0.00 H new ATOM 0 HG LEU A 136 4.110 -8.585 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.577 -9.733 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.456 -8.411 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.944 -10.101 -5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.626 -10.981 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 136 5.033 -11.392 -3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.267 -10.565 -2.383 1.00 0.00 H new ATOM 800 N CYS A 137 7.895 -6.482 -3.600 1.00 0.00 N ATOM 801 CA CYS A 137 8.909 -5.522 -4.012 1.00 0.00 C ATOM 802 C CYS A 137 9.904 -5.279 -2.883 1.00 0.00 C ATOM 803 O CYS A 137 11.097 -5.099 -3.120 1.00 0.00 O ATOM 804 CB CYS A 137 8.255 -4.204 -4.427 1.00 0.00 C ATOM 805 SG CYS A 137 7.491 -4.239 -6.078 1.00 0.00 S ATOM 0 H CYS A 137 7.067 -6.064 -3.175 1.00 0.00 H new ATOM 0 HA CYS A 137 9.445 -5.934 -4.867 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.494 -3.942 -3.692 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.007 -3.415 -4.403 1.00 0.00 H new ATOM 810 N ARG A 138 9.400 -5.282 -1.654 1.00 0.00 N ATOM 811 CA ARG A 138 10.237 -5.063 -0.482 1.00 0.00 C ATOM 812 C ARG A 138 11.283 -6.164 -0.346 1.00 0.00 C ATOM 813 O ARG A 138 12.438 -5.898 -0.016 1.00 0.00 O ATOM 814 CB ARG A 138 9.377 -5.006 0.781 1.00 0.00 C ATOM 815 CG ARG A 138 10.172 -4.731 2.046 1.00 0.00 C ATOM 816 CD ARG A 138 9.282 -4.747 3.277 1.00 0.00 C ATOM 817 NE ARG A 138 8.808 -6.091 3.593 1.00 0.00 N ATOM 818 CZ ARG A 138 8.046 -6.375 4.645 1.00 0.00 C ATOM 819 NH1 ARG A 138 7.673 -5.409 5.473 1.00 0.00 N ATOM 820 NH2 ARG A 138 7.657 -7.622 4.870 1.00 0.00 N ATOM 0 H ARG A 138 8.413 -5.434 -1.444 1.00 0.00 H new ATOM 0 HA ARG A 138 10.751 -4.110 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.621 -4.230 0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.848 -5.952 0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.957 -5.479 2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.664 -3.762 1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.834 -4.348 4.128 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.427 -4.090 3.115 1.00 0.00 H new ATOM 0 HE ARG A 138 9.076 -6.855 2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.971 -4.448 5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.088 -5.627 6.280 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.942 -8.368 4.235 1.00 0.00 H new ATOM 0 HH22 ARG A 138 7.073 -7.836 5.678 1.00 0.00 H new ATOM 834 N LYS A 139 10.870 -7.401 -0.605 1.00 0.00 N ATOM 835 CA LYS A 139 11.770 -8.542 -0.509 1.00 0.00 C ATOM 836 C LYS A 139 12.864 -8.457 -1.566 1.00 0.00 C ATOM 837 O LYS A 139 14.047 -8.617 -1.264 1.00 0.00 O ATOM 838 CB LYS A 139 10.991 -9.848 -0.672 1.00 0.00 C ATOM 839 CG LYS A 139 11.829 -11.092 -0.424 1.00 0.00 C ATOM 840 CD LYS A 139 11.030 -12.361 -0.670 1.00 0.00 C ATOM 841 CE LYS A 139 10.580 -12.463 -2.117 1.00 0.00 C ATOM 842 NZ LYS A 139 9.858 -13.737 -2.387 1.00 0.00 N ATOM 0 H LYS A 139 9.917 -7.637 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 139 12.236 -8.525 0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.146 -9.846 0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 139 10.580 -9.892 -1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 139 12.703 -11.079 -1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 139 12.197 -11.086 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 139 11.637 -13.230 -0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 139 10.159 -12.377 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 139 9.931 -11.621 -2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 139 11.448 -12.392 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 9.568 -13.767 -3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 10.485 -14.541 -2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 9.015 -13.794 -1.780 1.00 0.00 H new ATOM 856 N GLN A 140 12.460 -8.203 -2.806 1.00 0.00 N ATOM 857 CA GLN A 140 13.407 -8.095 -3.908 1.00 0.00 C ATOM 858 C GLN A 140 14.152 -6.765 -3.862 1.00 0.00 C ATOM 859 O GLN A 140 15.236 -6.633 -4.431 1.00 0.00 O ATOM 860 CB GLN A 140 12.683 -8.243 -5.249 1.00 0.00 C ATOM 861 CG GLN A 140 11.979 -9.579 -5.414 1.00 0.00 C ATOM 862 CD GLN A 140 11.394 -9.761 -6.801 1.00 0.00 C ATOM 863 OE1 GLN A 140 12.056 -10.273 -7.704 1.00 0.00 O ATOM 864 NE2 GLN A 140 10.148 -9.339 -6.977 1.00 0.00 N ATOM 0 H GLN A 140 11.485 -8.068 -3.072 1.00 0.00 H new ATOM 0 HA GLN A 140 14.135 -8.900 -3.805 1.00 0.00 H new ATOM 0 HB2 GLN A 140 11.951 -7.441 -5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 140 13.404 -8.119 -6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 140 12.685 -10.385 -5.212 1.00 0.00 H new ATOM 0 HG3 GLN A 140 11.183 -9.660 -4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 140 9.637 -8.921 -6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 140 9.702 -9.433 -7.889 1.00 0.00 H new ATOM 873 N GLN A 141 13.569 -5.780 -3.182 1.00 0.00 N ATOM 874 CA GLN A 141 14.191 -4.465 -3.070 1.00 0.00 C ATOM 875 C GLN A 141 15.303 -4.463 -2.026 1.00 0.00 C ATOM 876 O GLN A 141 16.154 -3.573 -2.015 1.00 0.00 O ATOM 877 CB GLN A 141 13.148 -3.402 -2.724 1.00 0.00 C ATOM 878 CG GLN A 141 13.727 -2.003 -2.596 1.00 0.00 C ATOM 879 CD GLN A 141 12.693 -0.980 -2.171 1.00 0.00 C ATOM 880 OE1 GLN A 141 11.742 -1.300 -1.458 1.00 0.00 O ATOM 881 NE2 GLN A 141 12.874 0.260 -2.609 1.00 0.00 N ATOM 0 H GLN A 141 12.672 -5.867 -2.703 1.00 0.00 H new ATOM 0 HA GLN A 141 14.632 -4.227 -4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 141 12.376 -3.398 -3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 141 12.662 -3.673 -1.787 1.00 0.00 H new ATOM 0 HG2 GLN A 141 14.540 -2.015 -1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 141 14.158 -1.703 -3.551 1.00 0.00 H new ATOM 0 HE21 GLN A 141 13.677 0.481 -3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 141 12.210 0.992 -2.356 1.00 0.00 H new ATOM 890 N GLU A 142 15.292 -5.460 -1.154 1.00 0.00 N ATOM 891 CA GLU A 142 16.305 -5.571 -0.110 1.00 0.00 C ATOM 892 C GLU A 142 17.348 -6.623 -0.474 1.00 0.00 C ATOM 893 O GLU A 142 18.499 -6.235 -0.767 1.00 0.00 O ATOM 894 CB GLU A 142 15.659 -5.904 1.238 1.00 0.00 C ATOM 895 CG GLU A 142 14.856 -7.196 1.241 1.00 0.00 C ATOM 896 CD GLU A 142 14.095 -7.402 2.536 1.00 0.00 C ATOM 897 OE1 GLU A 142 13.010 -6.802 2.688 1.00 0.00 O ATOM 898 OE2 GLU A 142 14.582 -8.167 3.396 1.00 0.00 O ATOM 899 OXT GLU A 142 17.006 -7.823 -0.475 1.00 0.00 O ATOM 0 H GLU A 142 14.594 -6.204 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 142 16.807 -4.607 -0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 142 16.440 -5.973 1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 142 15.005 -5.082 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 142 14.153 -7.185 0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 142 15.528 -8.039 1.080 1.00 0.00 H new TER 906 GLU A 142 HETATM 907 ZN ZN A 292 -3.372 -6.865 2.335 1.00 0.00 ZN HETATM 908 ZN ZN A 308 5.149 -3.359 -5.488 1.00 0.00 ZN