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 97 LYS NZ :NH3+ 169:sc= -0.0208 (180deg=-0.128) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.24) USER MOD Single : A 85 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.22) 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 -172:sc= -0.0554 USER MOD Single : A 96 HIS : no HD1:sc= -0.858 X(o=-0.86,f=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 CYS SG : rot 28:sc= 0.0447 USER MOD Single : A 106 HIS : no HE2:sc= -4.04! C(o=-4!,f=-7.1!) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.37 F(o=-2.8,f=-0.37) USER MOD Single : A 108 CYS SG : rot 125:sc= 0.229! USER MOD Single : A 109 SER OG : rot 135:sc= 0.209 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0.0897 K(o=0.09,f=-0.68) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 168:sc= -0.0337 (180deg=-0.293) USER MOD Single : A 124 SER OG : rot 170:sc= -1.29 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl 175:sc= -0.436 (180deg=-0.44) USER MOD Single : A 135 ASN : amide:sc= -0.398 K(o=-0.4,f=-0.93) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.2) USER MOD Single : A 141 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 83 -9.874 6.556 -11.598 1.00 0.00 N ATOM 2 CA GLN A 83 -10.448 6.893 -10.270 1.00 0.00 C ATOM 3 C GLN A 83 -11.877 7.407 -10.408 1.00 0.00 C ATOM 4 O GLN A 83 -12.131 8.385 -11.112 1.00 0.00 O ATOM 5 CB GLN A 83 -9.583 7.946 -9.573 1.00 0.00 C ATOM 6 CG GLN A 83 -8.181 7.461 -9.242 1.00 0.00 C ATOM 7 CD GLN A 83 -8.182 6.286 -8.285 1.00 0.00 C ATOM 8 OE1 GLN A 83 -8.234 5.129 -8.704 1.00 0.00 O ATOM 9 NE2 GLN A 83 -8.121 6.576 -6.991 1.00 0.00 N ATOM 0 HA GLN A 83 -10.464 5.985 -9.668 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.512 8.826 -10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -10.077 8.258 -8.653 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.673 7.175 -10.163 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.611 8.281 -8.805 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.079 7.549 -6.688 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.116 5.826 -6.300 1.00 0.00 H new ATOM 18 N GLU A 84 -12.808 6.742 -9.731 1.00 0.00 N ATOM 19 CA GLU A 84 -14.213 7.131 -9.777 1.00 0.00 C ATOM 20 C GLU A 84 -14.854 7.025 -8.398 1.00 0.00 C ATOM 21 O GLU A 84 -14.902 5.947 -7.806 1.00 0.00 O ATOM 22 CB GLU A 84 -14.972 6.253 -10.774 1.00 0.00 C ATOM 23 CG GLU A 84 -14.453 6.358 -12.198 1.00 0.00 C ATOM 24 CD GLU A 84 -15.170 5.421 -13.152 1.00 0.00 C ATOM 25 OE1 GLU A 84 -16.256 5.791 -13.645 1.00 0.00 O ATOM 26 OE2 GLU A 84 -14.644 4.317 -13.405 1.00 0.00 O ATOM 0 H GLU A 84 -12.615 5.931 -9.144 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.266 8.170 -10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.911 5.214 -10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.026 6.530 -10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.568 7.384 -12.548 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.386 6.135 -12.209 1.00 0.00 H new ATOM 33 N GLN A 85 -15.345 8.151 -7.890 1.00 0.00 N ATOM 34 CA GLN A 85 -15.983 8.181 -6.579 1.00 0.00 C ATOM 35 C GLN A 85 -17.393 7.599 -6.645 1.00 0.00 C ATOM 36 O GLN A 85 -18.340 8.284 -7.032 1.00 0.00 O ATOM 37 CB GLN A 85 -16.036 9.614 -6.045 1.00 0.00 C ATOM 38 CG GLN A 85 -14.667 10.214 -5.771 1.00 0.00 C ATOM 39 CD GLN A 85 -13.906 9.464 -4.696 1.00 0.00 C ATOM 40 OE1 GLN A 85 -13.158 8.530 -4.984 1.00 0.00 O ATOM 41 NE2 GLN A 85 -14.097 9.869 -3.445 1.00 0.00 N ATOM 0 H GLN A 85 -15.313 9.053 -8.365 1.00 0.00 H new ATOM 0 HA GLN A 85 -15.388 7.570 -5.901 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -16.561 10.242 -6.765 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -16.620 9.628 -5.125 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -14.083 10.213 -6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -14.784 11.255 -5.469 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -14.726 10.648 -3.252 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.614 9.401 -2.678 1.00 0.00 H new ATOM 50 N LYS A 86 -17.524 6.332 -6.265 1.00 0.00 N ATOM 51 CA LYS A 86 -18.818 5.659 -6.280 1.00 0.00 C ATOM 52 C LYS A 86 -19.142 5.082 -4.903 1.00 0.00 C ATOM 53 O LYS A 86 -19.901 4.122 -4.781 1.00 0.00 O ATOM 54 CB LYS A 86 -18.828 4.548 -7.334 1.00 0.00 C ATOM 55 CG LYS A 86 -20.214 3.995 -7.627 1.00 0.00 C ATOM 56 CD LYS A 86 -20.188 3.003 -8.778 1.00 0.00 C ATOM 57 CE LYS A 86 -19.673 3.645 -10.056 1.00 0.00 C ATOM 58 NZ LYS A 86 -19.753 2.715 -11.216 1.00 0.00 N ATOM 0 H LYS A 86 -16.750 5.751 -5.943 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.582 6.393 -6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.397 4.933 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.186 3.734 -6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -20.608 3.508 -6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -20.890 4.815 -7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.555 2.155 -8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -21.192 2.612 -8.945 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.252 4.543 -10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -18.639 3.959 -9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -19.393 3.191 -12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.180 1.869 -11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.743 2.435 -11.369 1.00 0.00 H new ATOM 72 N GLY A 87 -18.558 5.678 -3.867 1.00 0.00 N ATOM 73 CA GLY A 87 -18.797 5.212 -2.513 1.00 0.00 C ATOM 74 C GLY A 87 -18.130 3.882 -2.225 1.00 0.00 C ATOM 75 O GLY A 87 -18.523 3.171 -1.300 1.00 0.00 O ATOM 0 H GLY A 87 -17.925 6.474 -3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.431 5.957 -1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -19.871 5.118 -2.350 1.00 0.00 H new ATOM 79 N ASP A 88 -17.119 3.543 -3.018 1.00 0.00 N ATOM 80 CA ASP A 88 -16.395 2.290 -2.840 1.00 0.00 C ATOM 81 C ASP A 88 -15.364 2.412 -1.723 1.00 0.00 C ATOM 82 O ASP A 88 -14.510 3.298 -1.745 1.00 0.00 O ATOM 83 CB ASP A 88 -15.708 1.887 -4.147 1.00 0.00 C ATOM 84 CG ASP A 88 -14.754 2.953 -4.652 1.00 0.00 C ATOM 85 OD1 ASP A 88 -13.574 2.935 -4.244 1.00 0.00 O ATOM 86 OD2 ASP A 88 -15.188 3.804 -5.456 1.00 0.00 O ATOM 0 H ASP A 88 -16.783 4.118 -3.790 1.00 0.00 H new ATOM 0 HA ASP A 88 -17.113 1.518 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.161 0.957 -3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.465 1.691 -4.907 1.00 0.00 H new ATOM 91 N ALA A 89 -15.450 1.514 -0.746 1.00 0.00 N ATOM 92 CA ALA A 89 -14.529 1.519 0.384 1.00 0.00 C ATOM 93 C ALA A 89 -13.127 1.092 -0.045 1.00 0.00 C ATOM 94 O ALA A 89 -12.942 0.553 -1.137 1.00 0.00 O ATOM 95 CB ALA A 89 -15.047 0.610 1.488 1.00 0.00 C ATOM 0 H ALA A 89 -16.150 0.773 -0.715 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.466 2.538 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.350 0.622 2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.023 0.963 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -15.140 -0.407 1.108 1.00 0.00 H new ATOM 101 N PRO A 90 -12.122 1.325 0.818 1.00 0.00 N ATOM 102 CA PRO A 90 -10.734 0.974 0.542 1.00 0.00 C ATOM 103 C PRO A 90 -10.449 -0.483 0.878 1.00 0.00 C ATOM 104 O PRO A 90 -10.772 -0.944 1.971 1.00 0.00 O ATOM 105 CB PRO A 90 -9.936 1.900 1.473 1.00 0.00 C ATOM 106 CG PRO A 90 -10.947 2.665 2.277 1.00 0.00 C ATOM 107 CD PRO A 90 -12.251 1.933 2.139 1.00 0.00 C ATOM 0 HA PRO A 90 -10.480 1.092 -0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.278 1.324 2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.304 2.577 0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.645 2.724 3.323 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.037 3.688 1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.383 1.185 2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.105 2.608 2.196 1.00 0.00 H new ATOM 115 N THR A 91 -9.829 -1.202 -0.051 1.00 0.00 N ATOM 116 CA THR A 91 -9.535 -2.615 0.168 1.00 0.00 C ATOM 117 C THR A 91 -8.119 -2.991 -0.243 1.00 0.00 C ATOM 118 O THR A 91 -7.538 -2.407 -1.158 1.00 0.00 O ATOM 119 CB THR A 91 -10.523 -3.517 -0.594 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.783 -2.975 -1.894 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.825 -3.660 0.177 1.00 0.00 C ATOM 0 H THR A 91 -9.523 -0.836 -0.953 1.00 0.00 H new ATOM 0 HA THR A 91 -9.638 -2.773 1.242 1.00 0.00 H new ATOM 0 HB THR A 91 -10.073 -4.504 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.411 -3.557 -2.371 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.509 -4.301 -0.379 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.624 -4.104 1.152 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.278 -2.678 0.312 1.00 0.00 H new ATOM 129 N CYS A 92 -7.581 -3.984 0.454 1.00 0.00 N ATOM 130 CA CYS A 92 -6.244 -4.493 0.188 1.00 0.00 C ATOM 131 C CYS A 92 -6.233 -5.308 -1.104 1.00 0.00 C ATOM 132 O CYS A 92 -7.126 -6.124 -1.339 1.00 0.00 O ATOM 133 CB CYS A 92 -5.802 -5.361 1.367 1.00 0.00 C ATOM 134 SG CYS A 92 -4.139 -6.052 1.227 1.00 0.00 S ATOM 0 H CYS A 92 -8.060 -4.458 1.219 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.553 -3.659 0.068 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.856 -4.765 2.278 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.511 -6.181 1.481 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.937 -6.897 2.194 1.00 0.00 H new ATOM 139 N GLY A 93 -5.216 -5.092 -1.936 1.00 0.00 N ATOM 140 CA GLY A 93 -5.119 -5.813 -3.197 1.00 0.00 C ATOM 141 C GLY A 93 -4.484 -7.187 -3.057 1.00 0.00 C ATOM 142 O GLY A 93 -4.112 -7.808 -4.054 1.00 0.00 O ATOM 0 H GLY A 93 -4.458 -4.432 -1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.117 -5.923 -3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.536 -5.221 -3.902 1.00 0.00 H new ATOM 146 N ILE A 94 -4.357 -7.663 -1.823 1.00 0.00 N ATOM 147 CA ILE A 94 -3.767 -8.966 -1.557 1.00 0.00 C ATOM 148 C ILE A 94 -4.773 -9.878 -0.858 1.00 0.00 C ATOM 149 O ILE A 94 -5.251 -10.853 -1.437 1.00 0.00 O ATOM 150 CB ILE A 94 -2.501 -8.831 -0.685 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.435 -8.027 -1.422 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.951 -10.197 -0.302 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.624 -6.529 -1.331 1.00 0.00 C ATOM 0 H ILE A 94 -4.657 -7.161 -0.988 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.489 -9.406 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.776 -8.305 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.456 -8.285 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.434 -8.320 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.059 -10.071 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.704 -10.748 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.695 -10.752 -1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.827 -6.028 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.588 -6.257 -1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.594 -6.221 -0.286 1.00 0.00 H new ATOM 165 N CYS A 95 -5.086 -9.551 0.392 1.00 0.00 N ATOM 166 CA CYS A 95 -6.039 -10.339 1.167 1.00 0.00 C ATOM 167 C CYS A 95 -7.472 -9.843 0.965 1.00 0.00 C ATOM 168 O CYS A 95 -8.430 -10.528 1.322 1.00 0.00 O ATOM 169 CB CYS A 95 -5.670 -10.333 2.656 1.00 0.00 C ATOM 170 SG CYS A 95 -5.232 -8.695 3.330 1.00 0.00 S ATOM 0 H CYS A 95 -4.696 -8.750 0.888 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.988 -11.365 0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.510 -10.732 3.225 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.830 -11.010 2.810 1.00 0.00 H new ATOM 175 N HIS A 96 -7.615 -8.646 0.389 1.00 0.00 N ATOM 176 CA HIS A 96 -8.930 -8.074 0.125 1.00 0.00 C ATOM 177 C HIS A 96 -9.797 -8.054 1.380 1.00 0.00 C ATOM 178 O HIS A 96 -11.024 -8.018 1.296 1.00 0.00 O ATOM 179 CB HIS A 96 -9.634 -8.863 -0.980 1.00 0.00 C ATOM 180 CG HIS A 96 -10.972 -8.307 -1.354 1.00 0.00 C ATOM 181 ND1 HIS A 96 -12.152 -8.998 -1.171 1.00 0.00 N ATOM 182 CD2 HIS A 96 -11.316 -7.117 -1.901 1.00 0.00 C ATOM 183 CE1 HIS A 96 -13.162 -8.257 -1.589 1.00 0.00 C ATOM 184 NE2 HIS A 96 -12.682 -7.111 -2.035 1.00 0.00 N ATOM 0 H HIS A 96 -6.834 -8.058 0.098 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.784 -7.043 -0.199 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -8.997 -8.881 -1.864 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -9.757 -9.896 -0.655 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.641 -6.321 -2.180 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.204 -8.540 -1.569 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -13.237 -6.345 -2.417 1.00 0.00 H new ATOM 193 N LYS A 97 -9.157 -8.070 2.543 1.00 0.00 N ATOM 194 CA LYS A 97 -9.884 -8.050 3.808 1.00 0.00 C ATOM 195 C LYS A 97 -9.670 -6.725 4.529 1.00 0.00 C ATOM 196 O LYS A 97 -10.624 -6.007 4.829 1.00 0.00 O ATOM 197 CB LYS A 97 -9.440 -9.211 4.700 1.00 0.00 C ATOM 198 CG LYS A 97 -10.186 -9.278 6.024 1.00 0.00 C ATOM 199 CD LYS A 97 -9.775 -10.496 6.836 1.00 0.00 C ATOM 200 CE LYS A 97 -8.285 -10.494 7.130 1.00 0.00 C ATOM 201 NZ LYS A 97 -7.869 -9.281 7.887 1.00 0.00 N ATOM 0 H LYS A 97 -8.142 -8.097 2.637 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.946 -8.161 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.585 -10.148 4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.372 -9.119 4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.990 -8.373 6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.259 -9.310 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.331 -10.514 7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.038 -11.403 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.027 -11.385 7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.730 -10.545 6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.894 -9.402 8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.917 -8.450 7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.505 -9.143 8.698 1.00 0.00 H new ATOM 215 N THR A 98 -8.410 -6.409 4.805 1.00 0.00 N ATOM 216 CA THR A 98 -8.063 -5.172 5.486 1.00 0.00 C ATOM 217 C THR A 98 -8.456 -3.956 4.649 1.00 0.00 C ATOM 218 O THR A 98 -7.881 -3.710 3.588 1.00 0.00 O ATOM 219 CB THR A 98 -6.551 -5.118 5.794 1.00 0.00 C ATOM 220 OG1 THR A 98 -6.199 -6.172 6.698 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.154 -3.778 6.395 1.00 0.00 C ATOM 0 H THR A 98 -7.611 -6.996 4.566 1.00 0.00 H new ATOM 0 HA THR A 98 -8.618 -5.149 6.424 1.00 0.00 H new ATOM 0 HB THR A 98 -6.014 -5.243 4.854 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.238 -6.133 6.888 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.083 -3.774 6.600 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.392 -2.979 5.693 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.702 -3.619 7.324 1.00 0.00 H new ATOM 229 N LYS A 99 -9.440 -3.202 5.130 1.00 0.00 N ATOM 230 CA LYS A 99 -9.896 -2.011 4.432 1.00 0.00 C ATOM 231 C LYS A 99 -9.181 -0.780 4.970 1.00 0.00 C ATOM 232 O LYS A 99 -9.213 -0.506 6.169 1.00 0.00 O ATOM 233 CB LYS A 99 -11.411 -1.849 4.581 1.00 0.00 C ATOM 234 CG LYS A 99 -12.211 -2.896 3.825 1.00 0.00 C ATOM 235 CD LYS A 99 -13.705 -2.732 4.052 1.00 0.00 C ATOM 236 CE LYS A 99 -14.083 -3.013 5.498 1.00 0.00 C ATOM 237 NZ LYS A 99 -15.547 -2.867 5.729 1.00 0.00 N ATOM 0 H LYS A 99 -9.935 -3.397 6.000 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.662 -2.120 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.671 -1.898 5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.699 -0.859 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.994 -2.821 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.901 -3.891 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.005 -1.718 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.251 -3.409 3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.773 -4.023 5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.542 -2.330 6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.763 -3.067 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.840 -1.896 5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -16.063 -3.536 5.122 1.00 0.00 H new ATOM 251 N PHE A 100 -8.536 -0.041 4.075 1.00 0.00 N ATOM 252 CA PHE A 100 -7.798 1.154 4.468 1.00 0.00 C ATOM 253 C PHE A 100 -8.699 2.136 5.210 1.00 0.00 C ATOM 254 O PHE A 100 -9.918 1.973 5.244 1.00 0.00 O ATOM 255 CB PHE A 100 -7.181 1.837 3.247 1.00 0.00 C ATOM 256 CG PHE A 100 -6.622 0.881 2.233 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.800 -0.165 2.622 1.00 0.00 C ATOM 258 CD2 PHE A 100 -6.908 1.037 0.886 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.274 -1.036 1.687 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.387 0.169 -0.052 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.569 -0.867 0.347 1.00 0.00 C ATOM 0 H PHE A 100 -8.509 -0.247 3.076 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.998 0.841 5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.939 2.457 2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.386 2.505 3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.568 -0.301 3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.546 1.848 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.634 -1.847 2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.620 0.301 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.159 -1.546 -0.387 1.00 0.00 H new ATOM 271 N ALA A 101 -8.089 3.160 5.800 1.00 0.00 N ATOM 272 CA ALA A 101 -8.832 4.168 6.546 1.00 0.00 C ATOM 273 C ALA A 101 -9.506 5.165 5.609 1.00 0.00 C ATOM 274 O ALA A 101 -9.524 4.975 4.392 1.00 0.00 O ATOM 275 CB ALA A 101 -7.911 4.895 7.514 1.00 0.00 C ATOM 0 H ALA A 101 -7.081 3.313 5.775 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.611 3.659 7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.480 5.645 8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.482 4.179 8.215 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.111 5.383 6.958 1.00 0.00 H new ATOM 281 N ASP A 102 -10.061 6.227 6.184 1.00 0.00 N ATOM 282 CA ASP A 102 -10.736 7.256 5.403 1.00 0.00 C ATOM 283 C ASP A 102 -9.792 7.867 4.373 1.00 0.00 C ATOM 284 O ASP A 102 -9.042 8.793 4.677 1.00 0.00 O ATOM 285 CB ASP A 102 -11.278 8.351 6.325 1.00 0.00 C ATOM 286 CG ASP A 102 -11.979 9.455 5.561 1.00 0.00 C ATOM 287 OD1 ASP A 102 -13.191 9.314 5.291 1.00 0.00 O ATOM 288 OD2 ASP A 102 -11.317 10.463 5.232 1.00 0.00 O ATOM 0 H ASP A 102 -10.056 6.397 7.190 1.00 0.00 H new ATOM 0 HA ASP A 102 -11.567 6.788 4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -11.973 7.910 7.039 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -10.456 8.777 6.901 1.00 0.00 H new ATOM 293 N GLY A 103 -9.834 7.342 3.152 1.00 0.00 N ATOM 294 CA GLY A 103 -8.978 7.854 2.098 1.00 0.00 C ATOM 295 C GLY A 103 -8.304 6.751 1.307 1.00 0.00 C ATOM 296 O GLY A 103 -8.944 6.079 0.497 1.00 0.00 O ATOM 0 H GLY A 103 -10.444 6.573 2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.570 8.471 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.217 8.500 2.535 1.00 0.00 H new ATOM 300 N CYS A 104 -7.009 6.565 1.540 1.00 0.00 N ATOM 301 CA CYS A 104 -6.245 5.538 0.840 1.00 0.00 C ATOM 302 C CYS A 104 -5.224 4.892 1.770 1.00 0.00 C ATOM 303 O CYS A 104 -4.588 5.569 2.577 1.00 0.00 O ATOM 304 CB CYS A 104 -5.536 6.142 -0.372 1.00 0.00 C ATOM 305 SG CYS A 104 -4.371 7.463 0.037 1.00 0.00 S ATOM 0 H CYS A 104 -6.466 7.112 2.208 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.939 4.769 0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -5.002 5.351 -0.898 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.285 6.533 -1.060 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.918 7.284 1.242 1.00 0.00 H new ATOM 311 N GLY A 105 -5.073 3.576 1.649 1.00 0.00 N ATOM 312 CA GLY A 105 -4.127 2.859 2.484 1.00 0.00 C ATOM 313 C GLY A 105 -2.703 2.962 1.979 1.00 0.00 C ATOM 314 O GLY A 105 -2.249 4.035 1.586 1.00 0.00 O ATOM 0 H GLY A 105 -5.588 2.995 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.177 3.251 3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.415 1.809 2.533 1.00 0.00 H new ATOM 318 N HIS A 106 -1.998 1.836 1.986 1.00 0.00 N ATOM 319 CA HIS A 106 -0.615 1.794 1.527 1.00 0.00 C ATOM 320 C HIS A 106 -0.544 1.329 0.076 1.00 0.00 C ATOM 321 O HIS A 106 -0.998 0.235 -0.256 1.00 0.00 O ATOM 322 CB HIS A 106 0.212 0.858 2.411 1.00 0.00 C ATOM 323 CG HIS A 106 0.016 1.092 3.877 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.567 2.162 4.551 1.00 0.00 N ATOM 325 CD2 HIS A 106 -0.676 0.385 4.802 1.00 0.00 C ATOM 326 CE1 HIS A 106 0.223 2.102 5.826 1.00 0.00 C ATOM 327 NE2 HIS A 106 -0.531 1.033 6.003 1.00 0.00 N ATOM 0 H HIS A 106 -2.363 0.939 2.305 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.204 2.802 1.594 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.050 -0.174 2.178 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.268 0.982 2.169 1.00 0.00 H new ATOM 0 HD1 HIS A 106 1.149 2.887 4.131 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.238 -0.521 4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.510 2.807 6.592 1.00 0.00 H new ATOM 336 N ASN A 107 0.026 2.165 -0.783 1.00 0.00 N ATOM 337 CA ASN A 107 0.148 1.838 -2.198 1.00 0.00 C ATOM 338 C ASN A 107 1.601 1.574 -2.573 1.00 0.00 C ATOM 339 O ASN A 107 2.488 2.368 -2.261 1.00 0.00 O ATOM 340 CB ASN A 107 -0.417 2.974 -3.055 1.00 0.00 C ATOM 341 CG ASN A 107 -1.767 3.478 -2.565 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.545 2.605 -1.928 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.106 4.645 -2.756 1.00 0.00 N flip ATOM 0 H ASN A 107 0.411 3.074 -0.525 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.425 0.930 -2.387 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.292 3.802 -3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.516 2.629 -4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.481 5.283 -3.249 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.012 4.974 -2.422 1.00 0.00 H new ATOM 350 N CYS A 108 1.836 0.452 -3.245 1.00 0.00 N ATOM 351 CA CYS A 108 3.181 0.078 -3.665 1.00 0.00 C ATOM 352 C CYS A 108 3.830 1.188 -4.481 1.00 0.00 C ATOM 353 O CYS A 108 3.305 1.604 -5.511 1.00 0.00 O ATOM 354 CB CYS A 108 3.143 -1.202 -4.501 1.00 0.00 C ATOM 355 SG CYS A 108 4.774 -1.909 -4.833 1.00 0.00 S ATOM 0 H CYS A 108 1.111 -0.215 -3.511 1.00 0.00 H new ATOM 0 HA CYS A 108 3.772 -0.090 -2.765 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.535 -1.944 -3.984 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.650 -0.990 -5.450 1.00 0.00 H new ATOM 0 HG CYS A 108 4.801 -3.145 -4.431 1.00 0.00 H new ATOM 360 N SER A 109 4.979 1.662 -4.016 1.00 0.00 N ATOM 361 CA SER A 109 5.706 2.717 -4.708 1.00 0.00 C ATOM 362 C SER A 109 6.075 2.285 -6.129 1.00 0.00 C ATOM 363 O SER A 109 6.402 3.119 -6.973 1.00 0.00 O ATOM 364 CB SER A 109 6.971 3.087 -3.931 1.00 0.00 C ATOM 365 OG SER A 109 7.694 4.113 -4.588 1.00 0.00 O ATOM 0 H SER A 109 5.427 1.332 -3.161 1.00 0.00 H new ATOM 0 HA SER A 109 5.057 3.590 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.702 3.414 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.604 2.206 -3.820 1.00 0.00 H new ATOM 0 HG SER A 109 7.970 4.789 -3.934 1.00 0.00 H new ATOM 371 N TYR A 110 6.021 0.978 -6.385 1.00 0.00 N ATOM 372 CA TYR A 110 6.353 0.443 -7.699 1.00 0.00 C ATOM 373 C TYR A 110 5.095 0.028 -8.466 1.00 0.00 C ATOM 374 O TYR A 110 4.638 0.742 -9.360 1.00 0.00 O ATOM 375 CB TYR A 110 7.299 -0.753 -7.552 1.00 0.00 C ATOM 376 CG TYR A 110 8.625 -0.405 -6.909 1.00 0.00 C ATOM 377 CD1 TYR A 110 9.700 0.022 -7.681 1.00 0.00 C ATOM 378 CD2 TYR A 110 8.805 -0.504 -5.531 1.00 0.00 C ATOM 379 CE1 TYR A 110 10.913 0.339 -7.102 1.00 0.00 C ATOM 380 CE2 TYR A 110 10.016 -0.187 -4.948 1.00 0.00 C ATOM 381 CZ TYR A 110 11.067 0.233 -5.736 1.00 0.00 C ATOM 382 OH TYR A 110 12.274 0.548 -5.156 1.00 0.00 O ATOM 0 H TYR A 110 5.751 0.274 -5.699 1.00 0.00 H new ATOM 0 HA TYR A 110 6.849 1.229 -8.269 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.808 -1.523 -6.957 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.484 -1.182 -8.537 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.584 0.107 -8.751 1.00 0.00 H new ATOM 0 HD2 TYR A 110 7.985 -0.834 -4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.738 0.669 -7.717 1.00 0.00 H new ATOM 0 HE2 TYR A 110 10.140 -0.268 -3.878 1.00 0.00 H new ATOM 0 HH TYR A 110 12.214 0.421 -4.186 1.00 0.00 H new ATOM 392 N CYS A 111 4.542 -1.128 -8.111 1.00 0.00 N ATOM 393 CA CYS A 111 3.341 -1.647 -8.765 1.00 0.00 C ATOM 394 C CYS A 111 2.172 -0.674 -8.651 1.00 0.00 C ATOM 395 O CYS A 111 1.255 -0.700 -9.471 1.00 0.00 O ATOM 396 CB CYS A 111 2.931 -2.988 -8.148 1.00 0.00 C ATOM 397 SG CYS A 111 4.309 -4.134 -7.837 1.00 0.00 S ATOM 0 H CYS A 111 4.907 -1.727 -7.371 1.00 0.00 H new ATOM 0 HA CYS A 111 3.584 -1.781 -9.819 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.416 -2.797 -7.207 1.00 0.00 H new ATOM 0 HB3 CYS A 111 2.215 -3.474 -8.811 1.00 0.00 H new ATOM 402 N GLN A 112 2.204 0.177 -7.626 1.00 0.00 N ATOM 403 CA GLN A 112 1.132 1.144 -7.389 1.00 0.00 C ATOM 404 C GLN A 112 -0.111 0.459 -6.811 1.00 0.00 C ATOM 405 O GLN A 112 -1.135 1.107 -6.594 1.00 0.00 O ATOM 406 CB GLN A 112 0.767 1.879 -8.683 1.00 0.00 C ATOM 407 CG GLN A 112 1.971 2.426 -9.435 1.00 0.00 C ATOM 408 CD GLN A 112 2.719 3.485 -8.649 1.00 0.00 C ATOM 409 OE1 GLN A 112 2.133 4.209 -7.843 1.00 0.00 O ATOM 410 NE2 GLN A 112 4.024 3.583 -8.880 1.00 0.00 N ATOM 0 H GLN A 112 2.962 0.217 -6.945 1.00 0.00 H new ATOM 0 HA GLN A 112 1.498 1.870 -6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.221 1.198 -9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.093 2.702 -8.445 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.650 1.607 -9.671 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.640 2.849 -10.384 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.470 2.963 -9.556 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.579 4.278 -8.381 1.00 0.00 H new ATOM 419 N THR A 113 -0.019 -0.850 -6.562 1.00 0.00 N ATOM 420 CA THR A 113 -1.136 -1.605 -6.015 1.00 0.00 C ATOM 421 C THR A 113 -1.441 -1.183 -4.583 1.00 0.00 C ATOM 422 O THR A 113 -0.536 -0.849 -3.818 1.00 0.00 O ATOM 423 CB THR A 113 -0.853 -3.119 -6.044 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.597 -3.545 -7.387 1.00 0.00 O ATOM 425 CG2 THR A 113 -2.028 -3.902 -5.475 1.00 0.00 C ATOM 0 H THR A 113 0.820 -1.404 -6.733 1.00 0.00 H new ATOM 0 HA THR A 113 -2.001 -1.390 -6.642 1.00 0.00 H new ATOM 0 HB THR A 113 0.025 -3.312 -5.428 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.416 -4.508 -7.396 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.804 -4.968 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.202 -3.598 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.920 -3.701 -6.068 1.00 0.00 H new ATOM 433 N LYS A 114 -2.720 -1.199 -4.226 1.00 0.00 N ATOM 434 CA LYS A 114 -3.140 -0.823 -2.882 1.00 0.00 C ATOM 435 C LYS A 114 -3.082 -2.020 -1.939 1.00 0.00 C ATOM 436 O LYS A 114 -3.802 -3.002 -2.122 1.00 0.00 O ATOM 437 CB LYS A 114 -4.557 -0.250 -2.908 1.00 0.00 C ATOM 438 CG LYS A 114 -4.721 0.925 -3.858 1.00 0.00 C ATOM 439 CD LYS A 114 -6.167 1.392 -3.921 1.00 0.00 C ATOM 440 CE LYS A 114 -6.326 2.595 -4.838 1.00 0.00 C ATOM 441 NZ LYS A 114 -5.841 2.309 -6.216 1.00 0.00 N ATOM 0 H LYS A 114 -3.483 -1.468 -4.848 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.454 -0.060 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.253 -1.038 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.830 0.066 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.085 1.749 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.386 0.638 -4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.798 0.577 -4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.511 1.649 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.376 2.887 -4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.774 3.441 -4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.147 3.069 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.802 2.255 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.234 1.403 -6.541 1.00 0.00 H new ATOM 455 N PHE A 115 -2.222 -1.933 -0.931 1.00 0.00 N ATOM 456 CA PHE A 115 -2.070 -3.011 0.040 1.00 0.00 C ATOM 457 C PHE A 115 -2.136 -2.483 1.469 1.00 0.00 C ATOM 458 O PHE A 115 -1.993 -1.284 1.711 1.00 0.00 O ATOM 459 CB PHE A 115 -0.754 -3.760 -0.183 1.00 0.00 C ATOM 460 CG PHE A 115 0.470 -2.890 -0.132 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.848 -2.265 1.046 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.248 -2.705 -1.263 1.00 0.00 C ATOM 463 CE1 PHE A 115 1.980 -1.473 1.093 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.380 -1.915 -1.220 1.00 0.00 C ATOM 465 CZ PHE A 115 2.747 -1.298 -0.043 1.00 0.00 C ATOM 0 H PHE A 115 -1.619 -1.127 -0.764 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.898 -3.704 -0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.662 -4.541 0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.792 -4.257 -1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.252 -2.398 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.966 -3.184 -2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.265 -0.991 2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.978 -1.780 -2.109 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.632 -0.679 -0.009 1.00 0.00 H new ATOM 475 N CYS A 116 -2.355 -3.395 2.410 1.00 0.00 N ATOM 476 CA CYS A 116 -2.452 -3.043 3.821 1.00 0.00 C ATOM 477 C CYS A 116 -1.071 -3.027 4.470 1.00 0.00 C ATOM 478 O CYS A 116 -0.083 -3.432 3.858 1.00 0.00 O ATOM 479 CB CYS A 116 -3.366 -4.030 4.553 1.00 0.00 C ATOM 480 SG CYS A 116 -2.763 -5.751 4.553 1.00 0.00 S ATOM 0 H CYS A 116 -2.469 -4.390 2.218 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.880 -2.043 3.895 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.486 -3.699 5.585 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.354 -4.003 4.092 1.00 0.00 H new ATOM 485 N ALA A 117 -1.009 -2.557 5.710 1.00 0.00 N ATOM 486 CA ALA A 117 0.252 -2.483 6.438 1.00 0.00 C ATOM 487 C ALA A 117 0.898 -3.859 6.605 1.00 0.00 C ATOM 488 O ALA A 117 2.083 -3.957 6.924 1.00 0.00 O ATOM 489 CB ALA A 117 0.032 -1.838 7.799 1.00 0.00 C ATOM 0 H ALA A 117 -1.818 -2.221 6.233 1.00 0.00 H new ATOM 0 HA ALA A 117 0.936 -1.870 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.980 -1.787 8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.363 -0.831 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.678 -2.433 8.373 1.00 0.00 H new ATOM 495 N ARG A 118 0.122 -4.919 6.386 1.00 0.00 N ATOM 496 CA ARG A 118 0.637 -6.279 6.526 1.00 0.00 C ATOM 497 C ARG A 118 1.118 -6.842 5.191 1.00 0.00 C ATOM 498 O ARG A 118 1.870 -7.817 5.158 1.00 0.00 O ATOM 499 CB ARG A 118 -0.435 -7.195 7.118 1.00 0.00 C ATOM 500 CG ARG A 118 -0.950 -6.737 8.473 1.00 0.00 C ATOM 501 CD ARG A 118 -1.933 -7.737 9.061 1.00 0.00 C ATOM 502 NE ARG A 118 -1.312 -9.037 9.303 1.00 0.00 N ATOM 503 CZ ARG A 118 -1.999 -10.157 9.506 1.00 0.00 C ATOM 504 NH1 ARG A 118 -3.325 -10.132 9.495 1.00 0.00 N ATOM 505 NH2 ARG A 118 -1.362 -11.300 9.721 1.00 0.00 N ATOM 0 H ARG A 118 -0.859 -4.863 6.113 1.00 0.00 H new ATOM 0 HA ARG A 118 1.492 -6.236 7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.272 -7.256 6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.027 -8.201 7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.111 -6.604 9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.434 -5.766 8.370 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -2.332 -7.346 9.997 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -2.776 -7.859 8.381 1.00 0.00 H new ATOM 0 HE ARG A 118 -0.293 -9.088 9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -3.817 -9.254 9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -3.853 -10.991 9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -0.342 -11.322 9.731 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -1.892 -12.158 9.876 1.00 0.00 H new ATOM 519 N CYS A 119 0.687 -6.232 4.092 1.00 0.00 N ATOM 520 CA CYS A 119 1.084 -6.691 2.767 1.00 0.00 C ATOM 521 C CYS A 119 2.088 -5.737 2.132 1.00 0.00 C ATOM 522 O CYS A 119 2.153 -5.608 0.909 1.00 0.00 O ATOM 523 CB CYS A 119 -0.141 -6.834 1.868 1.00 0.00 C ATOM 524 SG CYS A 119 -1.240 -8.217 2.321 1.00 0.00 S ATOM 0 H CYS A 119 0.066 -5.423 4.092 1.00 0.00 H new ATOM 0 HA CYS A 119 1.562 -7.664 2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.711 -5.906 1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.191 -6.970 0.839 1.00 0.00 H new ATOM 529 N GLY A 120 2.871 -5.071 2.972 1.00 0.00 N ATOM 530 CA GLY A 120 3.865 -4.135 2.477 1.00 0.00 C ATOM 531 C GLY A 120 4.763 -3.603 3.577 1.00 0.00 C ATOM 532 O GLY A 120 4.708 -4.072 4.714 1.00 0.00 O ATOM 0 H GLY A 120 2.836 -5.162 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.476 -4.626 1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.362 -3.301 1.988 1.00 0.00 H new ATOM 536 N GLY A 121 5.592 -2.620 3.238 1.00 0.00 N ATOM 537 CA GLY A 121 6.493 -2.038 4.216 1.00 0.00 C ATOM 538 C GLY A 121 6.660 -0.542 4.031 1.00 0.00 C ATOM 539 O GLY A 121 6.420 -0.013 2.946 1.00 0.00 O ATOM 0 H GLY A 121 5.656 -2.216 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.114 -2.237 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.467 -2.521 4.141 1.00 0.00 H new ATOM 543 N ARG A 122 7.072 0.141 5.094 1.00 0.00 N ATOM 544 CA ARG A 122 7.269 1.585 5.048 1.00 0.00 C ATOM 545 C ARG A 122 8.686 1.927 4.598 1.00 0.00 C ATOM 546 O ARG A 122 9.662 1.513 5.225 1.00 0.00 O ATOM 547 CB ARG A 122 6.995 2.200 6.420 1.00 0.00 C ATOM 548 CG ARG A 122 7.213 3.703 6.470 1.00 0.00 C ATOM 549 CD ARG A 122 6.917 4.264 7.851 1.00 0.00 C ATOM 550 NE ARG A 122 5.541 4.005 8.264 1.00 0.00 N ATOM 551 CZ ARG A 122 4.973 4.562 9.330 1.00 0.00 C ATOM 552 NH1 ARG A 122 5.663 5.410 10.081 1.00 0.00 N ATOM 553 NH2 ARG A 122 3.717 4.273 9.644 1.00 0.00 N ATOM 0 H ARG A 122 7.276 -0.283 5.999 1.00 0.00 H new ATOM 0 HA ARG A 122 6.568 2.000 4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.967 1.981 6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.641 1.723 7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.243 3.931 6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.573 4.189 5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.602 3.823 8.576 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.100 5.339 7.852 1.00 0.00 H new ATOM 0 HE ARG A 122 4.984 3.360 7.703 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.629 5.635 9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.228 5.838 10.899 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.184 3.622 9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.284 4.702 10.462 1.00 0.00 H new ATOM 567 N VAL A 123 8.791 2.682 3.511 1.00 0.00 N ATOM 568 CA VAL A 123 10.089 3.083 2.981 1.00 0.00 C ATOM 569 C VAL A 123 10.079 4.552 2.577 1.00 0.00 C ATOM 570 O VAL A 123 9.713 4.896 1.453 1.00 0.00 O ATOM 571 CB VAL A 123 10.494 2.225 1.769 1.00 0.00 C ATOM 572 CG1 VAL A 123 11.856 2.652 1.244 1.00 0.00 C ATOM 573 CG2 VAL A 123 10.495 0.749 2.137 1.00 0.00 C ATOM 0 H VAL A 123 7.993 3.029 2.979 1.00 0.00 H new ATOM 0 HA VAL A 123 10.819 2.931 3.776 1.00 0.00 H new ATOM 0 HB VAL A 123 9.761 2.378 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.126 2.034 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.817 3.698 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.603 2.530 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 123 10.784 0.158 1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 123 11.205 0.576 2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.497 0.454 2.461 1.00 0.00 H new ATOM 583 N SER A 124 10.483 5.415 3.502 1.00 0.00 N ATOM 584 CA SER A 124 10.513 6.849 3.246 1.00 0.00 C ATOM 585 C SER A 124 11.871 7.280 2.705 1.00 0.00 C ATOM 586 O SER A 124 12.913 6.918 3.251 1.00 0.00 O ATOM 587 CB SER A 124 10.195 7.621 4.528 1.00 0.00 C ATOM 588 OG SER A 124 8.927 7.256 5.044 1.00 0.00 O ATOM 0 H SER A 124 10.794 5.146 4.435 1.00 0.00 H new ATOM 0 HA SER A 124 9.757 7.074 2.494 1.00 0.00 H new ATOM 0 HB2 SER A 124 10.965 7.425 5.274 1.00 0.00 H new ATOM 0 HB3 SER A 124 10.214 8.692 4.325 1.00 0.00 H new ATOM 0 HG SER A 124 8.816 7.637 5.940 1.00 0.00 H new ATOM 594 N LEU A 125 11.850 8.055 1.626 1.00 0.00 N ATOM 595 CA LEU A 125 13.077 8.546 1.013 1.00 0.00 C ATOM 596 C LEU A 125 13.434 9.912 1.580 1.00 0.00 C ATOM 597 O LEU A 125 13.185 10.942 0.952 1.00 0.00 O ATOM 598 CB LEU A 125 12.916 8.638 -0.506 1.00 0.00 C ATOM 599 CG LEU A 125 12.438 7.355 -1.187 1.00 0.00 C ATOM 600 CD1 LEU A 125 12.333 7.558 -2.690 1.00 0.00 C ATOM 601 CD2 LEU A 125 13.377 6.201 -0.866 1.00 0.00 C ATOM 0 H LEU A 125 10.995 8.357 1.158 1.00 0.00 H new ATOM 0 HA LEU A 125 13.881 7.845 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.209 9.436 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.873 8.926 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 125 11.448 7.108 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.992 6.635 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.622 8.357 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.310 7.828 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.022 5.296 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 125 14.380 6.438 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.402 6.042 0.212 1.00 0.00 H new ATOM 613 N ARG A 126 14.017 9.917 2.774 1.00 0.00 N ATOM 614 CA ARG A 126 14.390 11.162 3.430 1.00 0.00 C ATOM 615 C ARG A 126 13.137 11.942 3.810 1.00 0.00 C ATOM 616 O ARG A 126 12.207 12.062 3.013 1.00 0.00 O ATOM 617 CB ARG A 126 15.275 12.005 2.510 1.00 0.00 C ATOM 618 CG ARG A 126 16.450 11.237 1.926 1.00 0.00 C ATOM 619 CD ARG A 126 17.255 10.540 3.011 1.00 0.00 C ATOM 620 NE ARG A 126 17.774 11.481 4.000 1.00 0.00 N ATOM 621 CZ ARG A 126 18.520 11.119 5.038 1.00 0.00 C ATOM 622 NH1 ARG A 126 18.826 9.843 5.224 1.00 0.00 N ATOM 623 NH2 ARG A 126 18.958 12.034 5.894 1.00 0.00 N ATOM 0 H ARG A 126 14.240 9.075 3.305 1.00 0.00 H new ATOM 0 HA ARG A 126 14.953 10.928 4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 126 14.667 12.398 1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 126 15.653 12.862 3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 126 16.085 10.499 1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 126 17.096 11.921 1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 126 16.628 9.801 3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 126 18.085 9.999 2.555 1.00 0.00 H new ATOM 0 HE ARG A 126 17.552 12.470 3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 126 18.489 9.137 4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 126 19.399 9.567 6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 126 18.722 13.017 5.755 1.00 0.00 H new ATOM 0 HH22 ARG A 126 19.531 11.755 6.690 1.00 0.00 H new ATOM 637 N SER A 127 13.116 12.469 5.031 1.00 0.00 N ATOM 638 CA SER A 127 11.965 13.229 5.516 1.00 0.00 C ATOM 639 C SER A 127 11.453 14.201 4.459 1.00 0.00 C ATOM 640 O SER A 127 11.979 15.303 4.301 1.00 0.00 O ATOM 641 CB SER A 127 12.326 13.993 6.787 1.00 0.00 C ATOM 642 OG SER A 127 12.707 13.108 7.825 1.00 0.00 O ATOM 0 H SER A 127 13.880 12.385 5.702 1.00 0.00 H new ATOM 0 HA SER A 127 11.171 12.516 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 127 13.141 14.686 6.579 1.00 0.00 H new ATOM 0 HB3 SER A 127 11.474 14.591 7.110 1.00 0.00 H new ATOM 0 HG SER A 127 12.935 13.623 8.627 1.00 0.00 H new ATOM 648 N ASN A 128 10.420 13.781 3.739 1.00 0.00 N ATOM 649 CA ASN A 128 9.827 14.602 2.692 1.00 0.00 C ATOM 650 C ASN A 128 8.666 13.870 2.031 1.00 0.00 C ATOM 651 O ASN A 128 7.661 14.479 1.664 1.00 0.00 O ATOM 652 CB ASN A 128 10.880 14.968 1.643 1.00 0.00 C ATOM 653 CG ASN A 128 10.334 15.893 0.571 1.00 0.00 C ATOM 654 OD1 ASN A 128 9.421 16.679 0.820 1.00 0.00 O ATOM 655 ND2 ASN A 128 10.895 15.802 -0.631 1.00 0.00 N ATOM 0 H ASN A 128 9.974 12.872 3.862 1.00 0.00 H new ATOM 0 HA ASN A 128 9.449 15.517 3.147 1.00 0.00 H new ATOM 0 HB2 ASN A 128 11.727 15.447 2.135 1.00 0.00 H new ATOM 0 HB3 ASN A 128 11.255 14.057 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 128 10.570 16.399 -1.392 1.00 0.00 H new ATOM 0 HD22 ASN A 128 11.650 15.135 -0.792 1.00 0.00 H new ATOM 662 N LYS A 129 8.812 12.556 1.885 1.00 0.00 N ATOM 663 CA LYS A 129 7.781 11.738 1.269 1.00 0.00 C ATOM 664 C LYS A 129 7.862 10.289 1.745 1.00 0.00 C ATOM 665 O LYS A 129 8.919 9.662 1.680 1.00 0.00 O ATOM 666 CB LYS A 129 7.914 11.794 -0.247 1.00 0.00 C ATOM 667 CG LYS A 129 7.356 13.069 -0.860 1.00 0.00 C ATOM 668 CD LYS A 129 7.390 13.021 -2.379 1.00 0.00 C ATOM 669 CE LYS A 129 6.525 11.893 -2.919 1.00 0.00 C ATOM 670 NZ LYS A 129 6.470 11.899 -4.407 1.00 0.00 N ATOM 0 H LYS A 129 9.637 12.038 2.187 1.00 0.00 H new ATOM 0 HA LYS A 129 6.811 12.136 1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 129 8.967 11.702 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 129 7.399 10.937 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.330 13.217 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 129 7.933 13.925 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 129 7.043 13.972 -2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 129 8.418 12.887 -2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 129 6.918 10.937 -2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 129 5.516 11.986 -2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 5.871 11.115 -4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 6.071 12.801 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.430 11.785 -4.790 1.00 0.00 H new ATOM 684 N VAL A 130 6.737 9.765 2.221 1.00 0.00 N ATOM 685 CA VAL A 130 6.671 8.390 2.702 1.00 0.00 C ATOM 686 C VAL A 130 6.149 7.456 1.616 1.00 0.00 C ATOM 687 O VAL A 130 5.021 7.607 1.145 1.00 0.00 O ATOM 688 CB VAL A 130 5.765 8.274 3.942 1.00 0.00 C ATOM 689 CG1 VAL A 130 5.821 6.870 4.519 1.00 0.00 C ATOM 690 CG2 VAL A 130 6.163 9.303 4.988 1.00 0.00 C ATOM 0 H VAL A 130 5.856 10.274 2.284 1.00 0.00 H new ATOM 0 HA VAL A 130 7.685 8.098 2.974 1.00 0.00 H new ATOM 0 HB VAL A 130 4.738 8.473 3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 130 5.174 6.810 5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 130 5.484 6.155 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 130 6.845 6.636 4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 130 5.513 9.208 5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 130 7.197 9.136 5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 130 6.064 10.304 4.569 1.00 0.00 H new ATOM 700 N MET A 131 6.974 6.490 1.219 1.00 0.00 N ATOM 701 CA MET A 131 6.589 5.537 0.184 1.00 0.00 C ATOM 702 C MET A 131 6.456 4.130 0.756 1.00 0.00 C ATOM 703 O MET A 131 7.218 3.728 1.634 1.00 0.00 O ATOM 704 CB MET A 131 7.611 5.541 -0.952 1.00 0.00 C ATOM 705 CG MET A 131 7.844 6.918 -1.550 1.00 0.00 C ATOM 706 SD MET A 131 9.024 6.894 -2.913 1.00 0.00 S ATOM 707 CE MET A 131 9.021 8.620 -3.393 1.00 0.00 C ATOM 0 H MET A 131 7.910 6.348 1.598 1.00 0.00 H new ATOM 0 HA MET A 131 5.619 5.843 -0.208 1.00 0.00 H new ATOM 0 HB2 MET A 131 8.558 5.150 -0.580 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.273 4.865 -1.737 1.00 0.00 H new ATOM 0 HG2 MET A 131 6.895 7.321 -1.903 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.207 7.591 -0.773 1.00 0.00 H new ATOM 0 HE1 MET A 131 9.770 8.783 -4.168 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.037 8.889 -3.776 1.00 0.00 H new ATOM 0 HE3 MET A 131 9.255 9.239 -2.527 1.00 0.00 H new ATOM 717 N TRP A 132 5.479 3.388 0.249 1.00 0.00 N ATOM 718 CA TRP A 132 5.236 2.024 0.702 1.00 0.00 C ATOM 719 C TRP A 132 5.502 1.019 -0.414 1.00 0.00 C ATOM 720 O TRP A 132 5.032 1.186 -1.539 1.00 0.00 O ATOM 721 CB TRP A 132 3.800 1.883 1.207 1.00 0.00 C ATOM 722 CG TRP A 132 3.618 2.367 2.613 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.440 3.656 3.023 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.597 1.562 3.795 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.312 3.701 4.391 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.406 2.427 4.887 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.724 0.191 4.035 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.335 1.966 6.200 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.655 -0.267 5.337 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.461 0.619 6.405 1.00 0.00 C ATOM 0 H TRP A 132 4.840 3.709 -0.478 1.00 0.00 H new ATOM 0 HA TRP A 132 5.924 1.812 1.521 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.134 2.441 0.549 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.503 0.836 1.149 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.405 4.515 2.369 1.00 0.00 H new ATOM 0 HE1 TRP A 132 3.170 4.545 4.946 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.873 -0.498 3.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 3.186 2.647 7.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.752 -1.324 5.534 1.00 0.00 H new ATOM 0 HH2 TRP A 132 3.410 0.230 7.411 1.00 0.00 H new ATOM 741 N VAL A 133 6.262 -0.024 -0.095 1.00 0.00 N ATOM 742 CA VAL A 133 6.594 -1.060 -1.067 1.00 0.00 C ATOM 743 C VAL A 133 6.059 -2.418 -0.615 1.00 0.00 C ATOM 744 O VAL A 133 6.351 -2.873 0.490 1.00 0.00 O ATOM 745 CB VAL A 133 8.118 -1.150 -1.276 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.462 -2.233 -2.283 1.00 0.00 C ATOM 747 CG2 VAL A 133 8.672 0.192 -1.730 1.00 0.00 C ATOM 0 H VAL A 133 6.661 -0.174 0.832 1.00 0.00 H new ATOM 0 HA VAL A 133 6.124 -0.789 -2.012 1.00 0.00 H new ATOM 0 HB VAL A 133 8.577 -1.412 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.543 -2.278 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 133 8.100 -3.195 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.990 -2.005 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 133 9.750 0.111 -1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.202 0.481 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.462 0.947 -0.973 1.00 0.00 H new ATOM 757 N CYS A 134 5.274 -3.061 -1.479 1.00 0.00 N ATOM 758 CA CYS A 134 4.686 -4.359 -1.159 1.00 0.00 C ATOM 759 C CYS A 134 5.756 -5.395 -0.838 1.00 0.00 C ATOM 760 O CYS A 134 6.900 -5.289 -1.283 1.00 0.00 O ATOM 761 CB CYS A 134 3.807 -4.858 -2.310 1.00 0.00 C ATOM 762 SG CYS A 134 4.724 -5.325 -3.817 1.00 0.00 S ATOM 0 H CYS A 134 5.032 -2.704 -2.403 1.00 0.00 H new ATOM 0 HA CYS A 134 4.066 -4.223 -0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.236 -5.720 -1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 134 3.088 -4.080 -2.565 1.00 0.00 H new ATOM 767 N ASN A 135 5.364 -6.402 -0.062 1.00 0.00 N ATOM 768 CA ASN A 135 6.267 -7.476 0.342 1.00 0.00 C ATOM 769 C ASN A 135 6.902 -8.167 -0.863 1.00 0.00 C ATOM 770 O ASN A 135 7.922 -8.844 -0.730 1.00 0.00 O ATOM 771 CB ASN A 135 5.517 -8.504 1.190 1.00 0.00 C ATOM 772 CG ASN A 135 4.979 -7.913 2.478 1.00 0.00 C ATOM 773 OD1 ASN A 135 5.554 -6.977 3.032 1.00 0.00 O ATOM 774 ND2 ASN A 135 3.870 -8.460 2.962 1.00 0.00 N ATOM 0 H ASN A 135 4.416 -6.497 0.303 1.00 0.00 H new ATOM 0 HA ASN A 135 7.066 -7.027 0.931 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.691 -8.915 0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 135 6.185 -9.333 1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 135 3.462 -8.105 3.827 1.00 0.00 H new ATOM 0 HD22 ASN A 135 3.427 -9.235 2.469 1.00 0.00 H new ATOM 781 N LEU A 136 6.301 -7.995 -2.036 1.00 0.00 N ATOM 782 CA LEU A 136 6.819 -8.614 -3.251 1.00 0.00 C ATOM 783 C LEU A 136 7.953 -7.776 -3.826 1.00 0.00 C ATOM 784 O LEU A 136 8.879 -8.300 -4.446 1.00 0.00 O ATOM 785 CB LEU A 136 5.702 -8.761 -4.286 1.00 0.00 C ATOM 786 CG LEU A 136 4.346 -9.169 -3.710 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.274 -9.136 -4.788 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.435 -10.553 -3.087 1.00 0.00 C ATOM 0 H LEU A 136 5.459 -7.435 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 136 7.203 -9.603 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.587 -7.814 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.005 -9.503 -5.025 1.00 0.00 H new ATOM 0 HG LEU A 136 4.070 -8.455 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.316 -9.430 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.196 -8.127 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.540 -9.828 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.463 -10.832 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.731 -11.276 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 136 5.174 -10.545 -2.286 1.00 0.00 H new ATOM 800 N CYS A 137 7.867 -6.470 -3.615 1.00 0.00 N ATOM 801 CA CYS A 137 8.885 -5.546 -4.093 1.00 0.00 C ATOM 802 C CYS A 137 9.976 -5.366 -3.043 1.00 0.00 C ATOM 803 O CYS A 137 11.166 -5.394 -3.357 1.00 0.00 O ATOM 804 CB CYS A 137 8.257 -4.196 -4.432 1.00 0.00 C ATOM 805 SG CYS A 137 7.430 -4.146 -6.052 1.00 0.00 S ATOM 0 H CYS A 137 7.098 -6.025 -3.113 1.00 0.00 H new ATOM 0 HA CYS A 137 9.333 -5.963 -4.995 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.533 -3.940 -3.659 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.033 -3.431 -4.408 1.00 0.00 H new ATOM 810 N ARG A 138 9.557 -5.185 -1.796 1.00 0.00 N ATOM 811 CA ARG A 138 10.490 -4.999 -0.692 1.00 0.00 C ATOM 812 C ARG A 138 11.377 -6.228 -0.515 1.00 0.00 C ATOM 813 O ARG A 138 12.516 -6.123 -0.059 1.00 0.00 O ATOM 814 CB ARG A 138 9.727 -4.718 0.603 1.00 0.00 C ATOM 815 CG ARG A 138 10.619 -4.637 1.831 1.00 0.00 C ATOM 816 CD ARG A 138 9.803 -4.452 3.100 1.00 0.00 C ATOM 817 NE ARG A 138 10.643 -4.443 4.294 1.00 0.00 N ATOM 818 CZ ARG A 138 10.180 -4.658 5.522 1.00 0.00 C ATOM 819 NH1 ARG A 138 8.890 -4.900 5.712 1.00 0.00 N ATOM 820 NH2 ARG A 138 11.006 -4.633 6.559 1.00 0.00 N ATOM 0 H ARG A 138 8.574 -5.163 -1.524 1.00 0.00 H new ATOM 0 HA ARG A 138 11.126 -4.145 -0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 138 9.183 -3.780 0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.985 -5.502 0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.215 -5.546 1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.317 -3.807 1.721 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.247 -3.516 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.069 -5.254 3.179 1.00 0.00 H new ATOM 0 HE ARG A 138 11.640 -4.262 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.252 -4.921 4.916 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.535 -5.065 6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 138 11.999 -4.449 6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 138 10.648 -4.798 7.500 1.00 0.00 H new ATOM 834 N LYS A 139 10.846 -7.392 -0.878 1.00 0.00 N ATOM 835 CA LYS A 139 11.589 -8.641 -0.755 1.00 0.00 C ATOM 836 C LYS A 139 12.407 -8.922 -2.012 1.00 0.00 C ATOM 837 O LYS A 139 13.609 -9.178 -1.937 1.00 0.00 O ATOM 838 CB LYS A 139 10.628 -9.801 -0.490 1.00 0.00 C ATOM 839 CG LYS A 139 11.321 -11.149 -0.372 1.00 0.00 C ATOM 840 CD LYS A 139 12.337 -11.153 0.758 1.00 0.00 C ATOM 841 CE LYS A 139 13.065 -12.484 0.845 1.00 0.00 C ATOM 842 NZ LYS A 139 14.076 -12.494 1.938 1.00 0.00 N ATOM 0 H LYS A 139 9.906 -7.496 -1.259 1.00 0.00 H new ATOM 0 HA LYS A 139 12.277 -8.542 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.077 -9.603 0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 139 9.896 -9.847 -1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.578 -11.928 -0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.819 -11.387 -1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 139 13.059 -10.351 0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 139 11.833 -10.950 1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 139 12.342 -13.283 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 139 13.556 -12.692 -0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 14.550 -13.419 1.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 14.781 -11.749 1.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 13.604 -12.321 2.849 1.00 0.00 H new ATOM 856 N GLN A 140 11.749 -8.872 -3.164 1.00 0.00 N ATOM 857 CA GLN A 140 12.414 -9.130 -4.437 1.00 0.00 C ATOM 858 C GLN A 140 13.485 -8.082 -4.729 1.00 0.00 C ATOM 859 O GLN A 140 14.510 -8.386 -5.340 1.00 0.00 O ATOM 860 CB GLN A 140 11.388 -9.165 -5.570 1.00 0.00 C ATOM 861 CG GLN A 140 10.392 -10.307 -5.448 1.00 0.00 C ATOM 862 CD GLN A 140 9.345 -10.290 -6.545 1.00 0.00 C ATOM 863 OE1 GLN A 140 8.977 -9.230 -7.051 1.00 0.00 O ATOM 864 NE2 GLN A 140 8.859 -11.469 -6.916 1.00 0.00 N ATOM 0 H GLN A 140 10.755 -8.655 -3.244 1.00 0.00 H new ATOM 0 HA GLN A 140 12.905 -10.101 -4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.845 -8.220 -5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 140 11.912 -9.250 -6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 140 10.928 -11.256 -5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 140 9.897 -10.250 -4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 140 9.194 -12.322 -6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 140 8.151 -11.521 -7.648 1.00 0.00 H new ATOM 873 N GLN A 141 13.247 -6.849 -4.290 1.00 0.00 N ATOM 874 CA GLN A 141 14.204 -5.768 -4.510 1.00 0.00 C ATOM 875 C GLN A 141 15.221 -5.679 -3.371 1.00 0.00 C ATOM 876 O GLN A 141 15.991 -4.722 -3.294 1.00 0.00 O ATOM 877 CB GLN A 141 13.475 -4.431 -4.655 1.00 0.00 C ATOM 878 CG GLN A 141 12.460 -4.408 -5.788 1.00 0.00 C ATOM 879 CD GLN A 141 13.094 -4.653 -7.143 1.00 0.00 C ATOM 880 OE1 GLN A 141 13.200 -5.792 -7.595 1.00 0.00 O ATOM 881 NE2 GLN A 141 13.523 -3.580 -7.798 1.00 0.00 N ATOM 0 H GLN A 141 12.406 -6.574 -3.783 1.00 0.00 H new ATOM 0 HA GLN A 141 14.742 -5.989 -5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 141 12.967 -4.201 -3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 141 14.209 -3.643 -4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 141 11.699 -5.166 -5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 141 11.953 -3.443 -5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 141 13.415 -2.653 -7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 141 13.961 -3.683 -8.714 1.00 0.00 H new ATOM 890 N GLU A 142 15.223 -6.677 -2.487 1.00 0.00 N ATOM 891 CA GLU A 142 16.152 -6.696 -1.362 1.00 0.00 C ATOM 892 C GLU A 142 16.109 -5.376 -0.598 1.00 0.00 C ATOM 893 O GLU A 142 16.867 -4.455 -0.966 1.00 0.00 O ATOM 894 CB GLU A 142 17.575 -6.972 -1.852 1.00 0.00 C ATOM 895 CG GLU A 142 18.591 -7.102 -0.729 1.00 0.00 C ATOM 896 CD GLU A 142 19.983 -7.420 -1.236 1.00 0.00 C ATOM 897 OE1 GLU A 142 20.301 -8.617 -1.392 1.00 0.00 O ATOM 898 OE2 GLU A 142 20.758 -6.470 -1.477 1.00 0.00 O ATOM 899 OXT GLU A 142 15.317 -5.276 0.363 1.00 0.00 O ATOM 0 H GLU A 142 14.594 -7.479 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 142 15.848 -7.495 -0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 142 17.576 -7.890 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 142 17.884 -6.166 -2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 142 18.619 -6.173 -0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 142 18.270 -7.886 -0.043 1.00 0.00 H new TER 906 GLU A 142 HETATM 907 ZN ZN A 292 -3.454 -6.975 2.349 1.00 0.00 ZN HETATM 908 ZN ZN A 308 5.042 -3.359 -5.472 1.00 0.00 ZN