USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 545 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 127 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 131 GLN : amide:sc= -2.61! C(o=-2.6!,f=-4.9!) USER MOD Set 2.1: A 111 CYS SG : rot -137:sc= 0.036 USER MOD Set 2.2: A 115 CYS SG : rot 120:sc= 0.67 USER MOD Set 2.3: A 125 CYS SG : rot -147:sc= 0.232 USER MOD Set 2.4: A 128 CYS SG : rot 139:sc= -1.5! USER MOD Set 3.1: A 101 THR OG1 : rot 76:sc= 1.21 USER MOD Set 3.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 74 CYS SG : rot 158:sc= 0.157 USER MOD Set 4.2: A 77 CYS SG : rot -52:sc= 0.421 USER MOD Set 4.3: A 91 CYS SG : rot -132:sc= 1.29 USER MOD Set 4.4: A 94 CYS SG : rot 82:sc= -1.35 USER MOD Single : A 80 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.559) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.0943 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0255) USER MOD Single : A 114 SER OG : rot 67:sc= 0.463 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.739 X(o=-0.74,f=-1.2) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.393 K(o=-0.39,f=-5.1!) USER MOD Single : A 123 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -0.039 X(o=-0.039,f=-0.087) USER MOD Single : A 132 LYS NZ :NH3+ -173:sc= 0.0277 (180deg=-0.0458) USER MOD Single : A 133 CYS SG : rot -102:sc= -0.0639 USER MOD Single : A 138 MET CE :methyl -161:sc= -0.46 (180deg=-2.44) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HE2:sc= -1.65 K(o=-1.6,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 6.072 10.787 -7.842 1.00 0.00 N ATOM 84 CA GLU A 73 6.410 9.414 -8.196 1.00 0.00 C ATOM 85 C GLU A 73 5.640 8.423 -7.329 1.00 0.00 C ATOM 86 O GLU A 73 5.534 8.595 -6.114 1.00 0.00 O ATOM 87 CB GLU A 73 7.915 9.180 -8.043 1.00 0.00 C ATOM 88 CG GLU A 73 8.360 9.010 -6.600 1.00 0.00 C ATOM 89 CD GLU A 73 9.820 9.366 -6.394 1.00 0.00 C ATOM 90 OE1 GLU A 73 10.113 10.562 -6.181 1.00 0.00 O ATOM 91 OE2 GLU A 73 10.668 8.452 -6.446 1.00 0.00 O ATOM 0 HA GLU A 73 6.128 9.255 -9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.195 8.291 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.452 10.020 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.743 9.637 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.195 7.978 -6.292 1.00 0.00 H new ATOM 98 N CYS A 74 5.102 7.386 -7.962 1.00 0.00 N ATOM 99 CA CYS A 74 4.339 6.367 -7.250 1.00 0.00 C ATOM 100 C CYS A 74 5.068 5.928 -5.983 1.00 0.00 C ATOM 101 O CYS A 74 6.298 5.931 -5.930 1.00 0.00 O ATOM 102 CB CYS A 74 4.095 5.158 -8.156 1.00 0.00 C ATOM 103 SG CYS A 74 3.027 3.880 -7.418 1.00 0.00 S ATOM 0 H CYS A 74 5.180 7.229 -8.967 1.00 0.00 H new ATOM 0 HA CYS A 74 3.380 6.799 -6.965 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.644 5.500 -9.087 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.055 4.710 -8.413 1.00 0.00 H new ATOM 0 HG CYS A 74 2.500 3.157 -8.361 1.00 0.00 H new ATOM 108 N ARG A 75 4.300 5.551 -4.966 1.00 0.00 N ATOM 109 CA ARG A 75 4.872 5.110 -3.700 1.00 0.00 C ATOM 110 C ARG A 75 4.938 3.587 -3.633 1.00 0.00 C ATOM 111 O ARG A 75 5.809 3.021 -2.973 1.00 0.00 O ATOM 112 CB ARG A 75 4.046 5.647 -2.529 1.00 0.00 C ATOM 113 CG ARG A 75 3.924 7.162 -2.513 1.00 0.00 C ATOM 114 CD ARG A 75 5.172 7.816 -1.942 1.00 0.00 C ATOM 115 NE ARG A 75 6.285 7.791 -2.888 1.00 0.00 N ATOM 116 CZ ARG A 75 7.561 7.852 -2.523 1.00 0.00 C ATOM 117 NH1 ARG A 75 7.884 7.940 -1.240 1.00 0.00 N ATOM 118 NH2 ARG A 75 8.517 7.824 -3.443 1.00 0.00 N ATOM 0 H ARG A 75 3.280 5.542 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 75 5.886 5.503 -3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.048 5.211 -2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.500 5.318 -1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.753 7.525 -3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.056 7.452 -1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.949 8.848 -1.672 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.463 7.303 -1.026 1.00 0.00 H new ATOM 0 HE ARG A 75 6.071 7.723 -3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.152 7.961 -0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.865 7.987 -0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.272 7.756 -4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.496 7.871 -3.162 1.00 0.00 H new ATOM 132 N VAL A 76 4.011 2.929 -4.323 1.00 0.00 N ATOM 133 CA VAL A 76 3.964 1.472 -4.343 1.00 0.00 C ATOM 134 C VAL A 76 5.126 0.896 -5.144 1.00 0.00 C ATOM 135 O VAL A 76 5.979 0.192 -4.602 1.00 0.00 O ATOM 136 CB VAL A 76 2.639 0.962 -4.941 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.615 -0.559 -4.965 1.00 0.00 C ATOM 138 CG2 VAL A 76 1.455 1.510 -4.159 1.00 0.00 C ATOM 0 H VAL A 76 3.283 3.382 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 76 4.039 1.138 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 76 2.563 1.319 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.672 -0.901 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.442 -0.926 -5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.714 -0.941 -3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.528 1.139 -4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.523 1.185 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.465 2.599 -4.199 1.00 0.00 H new ATOM 148 N CYS A 77 5.154 1.200 -6.437 1.00 0.00 N ATOM 149 CA CYS A 77 6.212 0.712 -7.314 1.00 0.00 C ATOM 150 C CYS A 77 7.341 1.734 -7.424 1.00 0.00 C ATOM 151 O CYS A 77 8.517 1.386 -7.337 1.00 0.00 O ATOM 152 CB CYS A 77 5.650 0.405 -8.704 1.00 0.00 C ATOM 153 SG CYS A 77 5.193 1.884 -9.664 1.00 0.00 S ATOM 0 H CYS A 77 4.456 1.782 -6.901 1.00 0.00 H new ATOM 0 HA CYS A 77 6.615 -0.204 -6.882 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.390 -0.165 -9.266 1.00 0.00 H new ATOM 0 HB3 CYS A 77 4.771 -0.231 -8.597 1.00 0.00 H new ATOM 0 HG CYS A 77 4.407 2.637 -8.953 1.00 0.00 H new ATOM 158 N GLY A 78 6.972 2.997 -7.617 1.00 0.00 N ATOM 159 CA GLY A 78 7.964 4.049 -7.736 1.00 0.00 C ATOM 160 C GLY A 78 7.807 4.853 -9.011 1.00 0.00 C ATOM 161 O GLY A 78 7.955 6.075 -9.005 1.00 0.00 O ATOM 0 H GLY A 78 6.004 3.310 -7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.886 4.716 -6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.961 3.609 -7.708 1.00 0.00 H new ATOM 165 N ASP A 79 7.507 4.166 -10.108 1.00 0.00 N ATOM 166 CA ASP A 79 7.330 4.824 -11.397 1.00 0.00 C ATOM 167 C ASP A 79 6.538 6.118 -11.243 1.00 0.00 C ATOM 168 O ASP A 79 5.755 6.271 -10.305 1.00 0.00 O ATOM 169 CB ASP A 79 6.619 3.889 -12.377 1.00 0.00 C ATOM 170 CG ASP A 79 6.511 4.483 -13.768 1.00 0.00 C ATOM 171 OD1 ASP A 79 7.466 4.322 -14.557 1.00 0.00 O ATOM 172 OD2 ASP A 79 5.472 5.108 -14.068 1.00 0.00 O ATOM 0 H ASP A 79 7.381 3.154 -10.130 1.00 0.00 H new ATOM 0 HA ASP A 79 8.316 5.069 -11.791 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.159 2.944 -12.430 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.620 3.665 -12.002 1.00 0.00 H new ATOM 177 N LYS A 80 6.747 7.048 -12.169 1.00 0.00 N ATOM 178 CA LYS A 80 6.053 8.330 -12.137 1.00 0.00 C ATOM 179 C LYS A 80 4.641 8.170 -11.583 1.00 0.00 C ATOM 180 O LYS A 80 3.970 7.172 -11.845 1.00 0.00 O ATOM 181 CB LYS A 80 5.996 8.937 -13.540 1.00 0.00 C ATOM 182 CG LYS A 80 5.843 10.448 -13.543 1.00 0.00 C ATOM 183 CD LYS A 80 5.310 10.952 -14.874 1.00 0.00 C ATOM 184 CE LYS A 80 6.434 11.184 -15.872 1.00 0.00 C ATOM 185 NZ LYS A 80 6.820 9.929 -16.575 1.00 0.00 N ATOM 0 H LYS A 80 7.392 6.938 -12.951 1.00 0.00 H new ATOM 0 HA LYS A 80 6.608 9.000 -11.480 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.905 8.671 -14.079 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.162 8.495 -14.085 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.167 10.748 -12.742 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.807 10.913 -13.337 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.603 10.229 -15.282 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.762 11.881 -14.719 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.122 11.929 -16.604 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.302 11.591 -15.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.231 10.162 -17.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.521 9.414 -16.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.978 9.333 -16.710 1.00 0.00 H new ATOM 199 N ALA A 81 4.195 9.160 -10.817 1.00 0.00 N ATOM 200 CA ALA A 81 2.861 9.131 -10.230 1.00 0.00 C ATOM 201 C ALA A 81 1.850 9.838 -11.127 1.00 0.00 C ATOM 202 O ALA A 81 2.165 10.847 -11.757 1.00 0.00 O ATOM 203 CB ALA A 81 2.879 9.767 -8.848 1.00 0.00 C ATOM 0 H ALA A 81 4.738 9.992 -10.588 1.00 0.00 H new ATOM 0 HA ALA A 81 2.556 8.089 -10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.876 9.739 -8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.564 9.216 -8.203 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.210 10.802 -8.928 1.00 0.00 H new ATOM 209 N SER A 82 0.636 9.300 -11.180 1.00 0.00 N ATOM 210 CA SER A 82 -0.420 9.878 -12.003 1.00 0.00 C ATOM 211 C SER A 82 -1.165 10.971 -11.244 1.00 0.00 C ATOM 212 O SER A 82 -1.244 12.113 -11.695 1.00 0.00 O ATOM 213 CB SER A 82 -1.401 8.791 -12.448 1.00 0.00 C ATOM 214 OG SER A 82 -2.495 9.349 -13.155 1.00 0.00 O ATOM 0 H SER A 82 0.359 8.465 -10.663 1.00 0.00 H new ATOM 0 HA SER A 82 0.043 10.323 -12.884 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.885 8.069 -13.081 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.766 8.248 -11.577 1.00 0.00 H new ATOM 0 HG SER A 82 -3.106 8.634 -13.430 1.00 0.00 H new ATOM 220 N GLY A 83 -1.712 10.612 -10.086 1.00 0.00 N ATOM 221 CA GLY A 83 -2.444 11.572 -9.282 1.00 0.00 C ATOM 222 C GLY A 83 -2.371 11.263 -7.800 1.00 0.00 C ATOM 223 O GLY A 83 -1.379 10.712 -7.321 1.00 0.00 O ATOM 0 H GLY A 83 -1.661 9.673 -9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.046 12.571 -9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.488 11.584 -9.596 1.00 0.00 H new ATOM 227 N PHE A 84 -3.423 11.619 -7.070 1.00 0.00 N ATOM 228 CA PHE A 84 -3.473 11.378 -5.633 1.00 0.00 C ATOM 229 C PHE A 84 -4.699 10.548 -5.263 1.00 0.00 C ATOM 230 O PHE A 84 -5.783 11.086 -5.040 1.00 0.00 O ATOM 231 CB PHE A 84 -3.494 12.705 -4.872 1.00 0.00 C ATOM 232 CG PHE A 84 -3.193 12.562 -3.408 1.00 0.00 C ATOM 233 CD1 PHE A 84 -1.990 12.019 -2.984 1.00 0.00 C ATOM 234 CD2 PHE A 84 -4.111 12.971 -2.454 1.00 0.00 C ATOM 235 CE1 PHE A 84 -1.711 11.885 -1.637 1.00 0.00 C ATOM 236 CE2 PHE A 84 -3.837 12.840 -1.106 1.00 0.00 C ATOM 237 CZ PHE A 84 -2.635 12.298 -0.697 1.00 0.00 C ATOM 0 H PHE A 84 -4.252 12.075 -7.450 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.580 10.820 -5.353 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.767 13.383 -5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.474 13.166 -4.990 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.263 11.697 -3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.052 13.397 -2.768 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.771 11.458 -1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.562 13.161 -0.373 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.418 12.197 0.356 1.00 0.00 H new ATOM 247 N HIS A 85 -4.518 9.232 -5.200 1.00 0.00 N ATOM 248 CA HIS A 85 -5.608 8.326 -4.857 1.00 0.00 C ATOM 249 C HIS A 85 -5.335 7.624 -3.530 1.00 0.00 C ATOM 250 O HIS A 85 -4.190 7.300 -3.213 1.00 0.00 O ATOM 251 CB HIS A 85 -5.806 7.290 -5.964 1.00 0.00 C ATOM 252 CG HIS A 85 -5.799 7.877 -7.342 1.00 0.00 C ATOM 253 ND1 HIS A 85 -6.778 8.734 -7.800 1.00 0.00 N ATOM 254 CD2 HIS A 85 -4.923 7.728 -8.364 1.00 0.00 C ATOM 255 CE1 HIS A 85 -6.505 9.085 -9.044 1.00 0.00 C ATOM 256 NE2 HIS A 85 -5.385 8.488 -9.410 1.00 0.00 N ATOM 0 H HIS A 85 -3.627 8.770 -5.382 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.519 8.916 -4.755 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -5.018 6.540 -5.893 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.753 6.774 -5.803 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.028 7.124 -8.357 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.097 9.748 -9.658 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -4.936 8.577 -10.322 1.00 0.00 H new ATOM 264 N TYR A 86 -6.392 7.394 -2.760 1.00 0.00 N ATOM 265 CA TYR A 86 -6.265 6.734 -1.466 1.00 0.00 C ATOM 266 C TYR A 86 -5.302 7.493 -0.559 1.00 0.00 C ATOM 267 O TYR A 86 -4.636 6.904 0.292 1.00 0.00 O ATOM 268 CB TYR A 86 -5.782 5.294 -1.650 1.00 0.00 C ATOM 269 CG TYR A 86 -6.428 4.583 -2.817 1.00 0.00 C ATOM 270 CD1 TYR A 86 -5.917 4.710 -4.103 1.00 0.00 C ATOM 271 CD2 TYR A 86 -7.550 3.783 -2.634 1.00 0.00 C ATOM 272 CE1 TYR A 86 -6.505 4.063 -5.172 1.00 0.00 C ATOM 273 CE2 TYR A 86 -8.143 3.131 -3.698 1.00 0.00 C ATOM 274 CZ TYR A 86 -7.617 3.275 -4.965 1.00 0.00 C ATOM 275 OH TYR A 86 -8.204 2.627 -6.028 1.00 0.00 O ATOM 0 H TYR A 86 -7.346 7.655 -3.009 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.248 6.724 -0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.701 5.297 -1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.983 4.733 -0.737 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.045 5.325 -4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -7.965 3.669 -1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.096 4.174 -6.165 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.014 2.512 -3.539 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.523 2.419 -6.701 1.00 0.00 H new ATOM 285 N GLY A 87 -5.234 8.808 -0.747 1.00 0.00 N ATOM 286 CA GLY A 87 -4.351 9.628 0.061 1.00 0.00 C ATOM 287 C GLY A 87 -2.891 9.266 -0.126 1.00 0.00 C ATOM 288 O GLY A 87 -2.045 9.623 0.694 1.00 0.00 O ATOM 0 H GLY A 87 -5.775 9.319 -1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.498 10.677 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.618 9.517 1.112 1.00 0.00 H new ATOM 292 N VAL A 88 -2.593 8.553 -1.208 1.00 0.00 N ATOM 293 CA VAL A 88 -1.225 8.142 -1.501 1.00 0.00 C ATOM 294 C VAL A 88 -0.918 8.274 -2.988 1.00 0.00 C ATOM 295 O VAL A 88 -1.727 7.898 -3.836 1.00 0.00 O ATOM 296 CB VAL A 88 -0.971 6.687 -1.062 1.00 0.00 C ATOM 297 CG1 VAL A 88 -1.575 5.715 -2.064 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.520 6.435 -0.894 1.00 0.00 C ATOM 0 H VAL A 88 -3.281 8.248 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.567 8.804 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.454 6.526 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.386 4.692 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.650 5.882 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.122 5.873 -3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.682 5.403 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.028 6.613 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.920 7.109 -0.136 1.00 0.00 H new ATOM 308 N HIS A 89 0.258 8.812 -3.298 1.00 0.00 N ATOM 309 CA HIS A 89 0.674 8.993 -4.684 1.00 0.00 C ATOM 310 C HIS A 89 0.933 7.647 -5.354 1.00 0.00 C ATOM 311 O HIS A 89 2.008 7.066 -5.207 1.00 0.00 O ATOM 312 CB HIS A 89 1.932 9.860 -4.752 1.00 0.00 C ATOM 313 CG HIS A 89 1.649 11.330 -4.714 1.00 0.00 C ATOM 314 ND1 HIS A 89 1.424 12.024 -3.544 1.00 0.00 N ATOM 315 CD2 HIS A 89 1.556 12.239 -5.713 1.00 0.00 C ATOM 316 CE1 HIS A 89 1.204 13.296 -3.824 1.00 0.00 C ATOM 317 NE2 HIS A 89 1.279 13.453 -5.133 1.00 0.00 N ATOM 0 H HIS A 89 0.939 9.130 -2.608 1.00 0.00 H new ATOM 0 HA HIS A 89 -0.134 9.495 -5.217 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.586 9.603 -3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.475 9.626 -5.668 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.677 12.046 -6.769 1.00 0.00 H new ATOM 0 HE1 HIS A 89 0.998 14.075 -3.105 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.152 14.333 -5.633 1.00 0.00 H new ATOM 325 N ALA A 90 -0.060 7.157 -6.089 1.00 0.00 N ATOM 326 CA ALA A 90 0.061 5.880 -6.782 1.00 0.00 C ATOM 327 C ALA A 90 -0.085 6.058 -8.290 1.00 0.00 C ATOM 328 O ALA A 90 -0.649 7.049 -8.757 1.00 0.00 O ATOM 329 CB ALA A 90 -0.977 4.897 -6.262 1.00 0.00 C ATOM 0 H ALA A 90 -0.957 7.625 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 90 1.055 5.480 -6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.875 3.948 -6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.825 4.738 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.976 5.300 -6.430 1.00 0.00 H new ATOM 335 N CYS A 91 0.426 5.094 -9.047 1.00 0.00 N ATOM 336 CA CYS A 91 0.354 5.144 -10.502 1.00 0.00 C ATOM 337 C CYS A 91 -0.853 4.363 -11.014 1.00 0.00 C ATOM 338 O CYS A 91 -1.577 3.742 -10.238 1.00 0.00 O ATOM 339 CB CYS A 91 1.637 4.581 -11.117 1.00 0.00 C ATOM 340 SG CYS A 91 1.835 2.783 -10.908 1.00 0.00 S ATOM 0 H CYS A 91 0.895 4.268 -8.677 1.00 0.00 H new ATOM 0 HA CYS A 91 0.243 6.187 -10.799 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.650 4.816 -12.181 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.493 5.085 -10.669 1.00 0.00 H new ATOM 0 HG CYS A 91 3.032 2.526 -10.471 1.00 0.00 H new ATOM 345 N GLU A 92 -1.062 4.401 -12.327 1.00 0.00 N ATOM 346 CA GLU A 92 -2.182 3.697 -12.942 1.00 0.00 C ATOM 347 C GLU A 92 -2.137 2.209 -12.610 1.00 0.00 C ATOM 348 O GLU A 92 -3.128 1.630 -12.168 1.00 0.00 O ATOM 349 CB GLU A 92 -2.164 3.894 -14.459 1.00 0.00 C ATOM 350 CG GLU A 92 -1.994 5.343 -14.883 1.00 0.00 C ATOM 351 CD GLU A 92 -0.538 5.749 -15.005 1.00 0.00 C ATOM 352 OE1 GLU A 92 0.337 4.891 -14.766 1.00 0.00 O ATOM 353 OE2 GLU A 92 -0.275 6.923 -15.337 1.00 0.00 O ATOM 0 H GLU A 92 -0.472 4.911 -12.984 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.106 4.113 -12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.353 3.302 -14.884 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.093 3.508 -14.878 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.492 5.498 -15.840 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.488 5.990 -14.158 1.00 0.00 H new ATOM 360 N GLY A 93 -0.978 1.594 -12.829 1.00 0.00 N ATOM 361 CA GLY A 93 -0.825 0.178 -12.549 1.00 0.00 C ATOM 362 C GLY A 93 -1.231 -0.180 -11.133 1.00 0.00 C ATOM 363 O GLY A 93 -2.254 -0.831 -10.919 1.00 0.00 O ATOM 0 H GLY A 93 -0.143 2.051 -13.195 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.428 -0.396 -13.253 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.214 -0.111 -12.710 1.00 0.00 H new ATOM 367 N CYS A 94 -0.428 0.244 -10.163 1.00 0.00 N ATOM 368 CA CYS A 94 -0.707 -0.037 -8.760 1.00 0.00 C ATOM 369 C CYS A 94 -2.113 0.420 -8.383 1.00 0.00 C ATOM 370 O CYS A 94 -2.845 -0.289 -7.692 1.00 0.00 O ATOM 371 CB CYS A 94 0.323 0.654 -7.865 1.00 0.00 C ATOM 372 SG CYS A 94 2.053 0.259 -8.280 1.00 0.00 S ATOM 0 H CYS A 94 0.422 0.784 -10.323 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.642 -1.115 -8.611 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.182 1.733 -7.932 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.136 0.372 -6.829 1.00 0.00 H new ATOM 0 HG CYS A 94 2.441 1.000 -9.275 1.00 0.00 H new ATOM 377 N LYS A 95 -2.485 1.610 -8.843 1.00 0.00 N ATOM 378 CA LYS A 95 -3.803 2.163 -8.557 1.00 0.00 C ATOM 379 C LYS A 95 -4.889 1.108 -8.744 1.00 0.00 C ATOM 380 O LYS A 95 -5.755 0.935 -7.888 1.00 0.00 O ATOM 381 CB LYS A 95 -4.083 3.365 -9.462 1.00 0.00 C ATOM 382 CG LYS A 95 -5.525 3.839 -9.417 1.00 0.00 C ATOM 383 CD LYS A 95 -5.893 4.627 -10.663 1.00 0.00 C ATOM 384 CE LYS A 95 -7.345 5.077 -10.629 1.00 0.00 C ATOM 385 NZ LYS A 95 -7.771 5.674 -11.925 1.00 0.00 N ATOM 0 H LYS A 95 -1.892 2.210 -9.416 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.814 2.489 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.430 4.188 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.828 3.103 -10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.188 2.980 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.677 4.460 -8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.243 5.498 -10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.722 4.013 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.984 4.226 -10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.480 5.807 -9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.767 5.968 -11.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.178 6.502 -12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.666 4.970 -12.683 1.00 0.00 H new ATOM 399 N GLY A 96 -4.835 0.404 -9.871 1.00 0.00 N ATOM 400 CA GLY A 96 -5.819 -0.626 -10.150 1.00 0.00 C ATOM 401 C GLY A 96 -5.619 -1.863 -9.298 1.00 0.00 C ATOM 402 O GLY A 96 -6.571 -2.386 -8.716 1.00 0.00 O ATOM 0 H GLY A 96 -4.128 0.529 -10.595 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.818 -0.226 -9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.764 -0.901 -11.203 1.00 0.00 H new ATOM 406 N PHE A 97 -4.379 -2.336 -9.224 1.00 0.00 N ATOM 407 CA PHE A 97 -4.058 -3.522 -8.439 1.00 0.00 C ATOM 408 C PHE A 97 -4.776 -3.494 -7.093 1.00 0.00 C ATOM 409 O PHE A 97 -5.535 -4.405 -6.762 1.00 0.00 O ATOM 410 CB PHE A 97 -2.547 -3.622 -8.221 1.00 0.00 C ATOM 411 CG PHE A 97 -2.160 -4.592 -7.142 1.00 0.00 C ATOM 412 CD1 PHE A 97 -2.451 -5.941 -7.267 1.00 0.00 C ATOM 413 CD2 PHE A 97 -1.503 -4.155 -6.003 1.00 0.00 C ATOM 414 CE1 PHE A 97 -2.097 -6.835 -6.275 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.146 -5.045 -5.007 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.442 -6.387 -5.145 1.00 0.00 C ATOM 0 H PHE A 97 -3.580 -1.916 -9.698 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.397 -4.397 -8.994 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.072 -3.922 -9.155 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.158 -2.636 -7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.960 -6.298 -8.150 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.267 -3.107 -5.892 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.332 -7.883 -6.383 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.637 -4.691 -4.123 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.162 -7.085 -4.370 1.00 0.00 H new ATOM 426 N PHE A 98 -4.530 -2.441 -6.319 1.00 0.00 N ATOM 427 CA PHE A 98 -5.152 -2.294 -5.008 1.00 0.00 C ATOM 428 C PHE A 98 -6.667 -2.441 -5.105 1.00 0.00 C ATOM 429 O PHE A 98 -7.253 -3.344 -4.509 1.00 0.00 O ATOM 430 CB PHE A 98 -4.797 -0.935 -4.402 1.00 0.00 C ATOM 431 CG PHE A 98 -5.310 -0.750 -3.003 1.00 0.00 C ATOM 432 CD1 PHE A 98 -4.666 -1.345 -1.930 1.00 0.00 C ATOM 433 CD2 PHE A 98 -6.437 0.018 -2.760 1.00 0.00 C ATOM 434 CE1 PHE A 98 -5.135 -1.177 -0.641 1.00 0.00 C ATOM 435 CE2 PHE A 98 -6.911 0.190 -1.473 1.00 0.00 C ATOM 436 CZ PHE A 98 -6.260 -0.409 -0.412 1.00 0.00 C ATOM 0 H PHE A 98 -3.905 -1.678 -6.577 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.770 -3.084 -4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.713 -0.818 -4.401 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -5.202 -0.146 -5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.787 -1.948 -2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.951 0.488 -3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.623 -1.646 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.790 0.792 -1.297 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.630 -0.277 0.594 1.00 0.00 H new ATOM 446 N ARG A 99 -7.295 -1.545 -5.860 1.00 0.00 N ATOM 447 CA ARG A 99 -8.743 -1.573 -6.034 1.00 0.00 C ATOM 448 C ARG A 99 -9.223 -2.982 -6.368 1.00 0.00 C ATOM 449 O ARG A 99 -9.993 -3.581 -5.616 1.00 0.00 O ATOM 450 CB ARG A 99 -9.164 -0.604 -7.140 1.00 0.00 C ATOM 451 CG ARG A 99 -10.666 -0.552 -7.365 1.00 0.00 C ATOM 452 CD ARG A 99 -11.023 0.358 -8.530 1.00 0.00 C ATOM 453 NE ARG A 99 -12.391 0.141 -8.994 1.00 0.00 N ATOM 454 CZ ARG A 99 -13.065 1.019 -9.729 1.00 0.00 C ATOM 455 NH1 ARG A 99 -12.501 2.165 -10.082 1.00 0.00 N ATOM 456 NH2 ARG A 99 -14.307 0.749 -10.113 1.00 0.00 N ATOM 0 H ARG A 99 -6.824 -0.791 -6.361 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.203 -1.264 -5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.808 0.395 -6.891 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.676 -0.894 -8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.041 -1.557 -7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.159 -0.197 -6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.903 1.398 -8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.329 0.183 -9.352 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.854 -0.732 -8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.547 2.375 -9.789 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.021 2.837 -10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.744 -0.133 -9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.824 1.423 -10.677 1.00 0.00 H new ATOM 470 N ARG A 100 -8.764 -3.506 -7.500 1.00 0.00 N ATOM 471 CA ARG A 100 -9.148 -4.843 -7.935 1.00 0.00 C ATOM 472 C ARG A 100 -9.099 -5.828 -6.770 1.00 0.00 C ATOM 473 O ARG A 100 -10.066 -6.543 -6.505 1.00 0.00 O ATOM 474 CB ARG A 100 -8.228 -5.321 -9.060 1.00 0.00 C ATOM 475 CG ARG A 100 -8.444 -6.775 -9.447 1.00 0.00 C ATOM 476 CD ARG A 100 -7.892 -7.070 -10.833 1.00 0.00 C ATOM 477 NE ARG A 100 -7.660 -8.497 -11.037 1.00 0.00 N ATOM 478 CZ ARG A 100 -6.747 -8.981 -11.872 1.00 0.00 C ATOM 479 NH1 ARG A 100 -5.985 -8.156 -12.577 1.00 0.00 N ATOM 480 NH2 ARG A 100 -6.595 -10.293 -12.003 1.00 0.00 N ATOM 0 H ARG A 100 -8.125 -3.024 -8.133 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.171 -4.797 -8.307 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.384 -4.693 -9.937 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.191 -5.186 -8.752 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.960 -7.423 -8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.509 -7.005 -9.422 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.590 -6.705 -11.586 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.958 -6.527 -10.974 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.230 -9.158 -10.510 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.099 -7.147 -12.479 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.285 -8.530 -13.217 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.179 -10.931 -11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.894 -10.664 -12.644 1.00 0.00 H new ATOM 494 N THR A 101 -7.965 -5.861 -6.077 1.00 0.00 N ATOM 495 CA THR A 101 -7.788 -6.759 -4.942 1.00 0.00 C ATOM 496 C THR A 101 -8.913 -6.590 -3.928 1.00 0.00 C ATOM 497 O THR A 101 -9.298 -7.543 -3.249 1.00 0.00 O ATOM 498 CB THR A 101 -6.439 -6.518 -4.240 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.366 -6.657 -5.179 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.244 -7.496 -3.092 1.00 0.00 C ATOM 0 H THR A 101 -7.155 -5.276 -6.282 1.00 0.00 H new ATOM 0 HA THR A 101 -7.807 -7.775 -5.336 1.00 0.00 H new ATOM 0 HB THR A 101 -6.440 -5.505 -3.837 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.330 -5.865 -5.754 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.284 -7.306 -2.611 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.046 -7.368 -2.365 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.262 -8.516 -3.476 1.00 0.00 H new ATOM 508 N ILE A 102 -9.437 -5.373 -3.829 1.00 0.00 N ATOM 509 CA ILE A 102 -10.520 -5.081 -2.898 1.00 0.00 C ATOM 510 C ILE A 102 -11.865 -5.527 -3.461 1.00 0.00 C ATOM 511 O ILE A 102 -12.514 -6.418 -2.913 1.00 0.00 O ATOM 512 CB ILE A 102 -10.587 -3.579 -2.566 1.00 0.00 C ATOM 513 CG1 ILE A 102 -9.248 -3.097 -2.006 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.711 -3.305 -1.577 1.00 0.00 C ATOM 515 CD1 ILE A 102 -8.942 -3.634 -0.625 1.00 0.00 C ATOM 0 H ILE A 102 -9.129 -4.573 -4.382 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.309 -5.637 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.794 -3.028 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.451 -3.394 -2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.249 -2.008 -1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.746 -2.239 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.661 -3.615 -2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.532 -3.864 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.978 -3.251 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.719 -3.315 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.908 -4.723 -0.657 1.00 0.00 H new ATOM 527 N ARG A 103 -12.276 -4.903 -4.560 1.00 0.00 N ATOM 528 CA ARG A 103 -13.544 -5.236 -5.198 1.00 0.00 C ATOM 529 C ARG A 103 -13.641 -6.735 -5.466 1.00 0.00 C ATOM 530 O ARG A 103 -14.735 -7.292 -5.547 1.00 0.00 O ATOM 531 CB ARG A 103 -13.698 -4.462 -6.509 1.00 0.00 C ATOM 532 CG ARG A 103 -12.534 -4.651 -7.468 1.00 0.00 C ATOM 533 CD ARG A 103 -12.790 -5.796 -8.435 1.00 0.00 C ATOM 534 NE ARG A 103 -13.888 -5.503 -9.353 1.00 0.00 N ATOM 535 CZ ARG A 103 -13.748 -4.780 -10.458 1.00 0.00 C ATOM 536 NH1 ARG A 103 -12.564 -4.280 -10.783 1.00 0.00 N ATOM 537 NH2 ARG A 103 -14.795 -4.557 -11.243 1.00 0.00 N ATOM 0 H ARG A 103 -11.750 -4.164 -5.027 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.349 -4.953 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.618 -4.777 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.804 -3.401 -6.284 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -12.369 -3.730 -8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.623 -4.848 -6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.884 -5.997 -9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.020 -6.701 -7.872 1.00 0.00 H new ATOM 0 HE ARG A 103 -14.812 -5.874 -9.133 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -11.757 -4.450 -10.183 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -12.460 -3.725 -11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -15.707 -4.941 -10.997 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.687 -4.002 -12.092 1.00 0.00 H new ATOM 551 N MET A 104 -12.488 -7.382 -5.601 1.00 0.00 N ATOM 552 CA MET A 104 -12.443 -8.817 -5.859 1.00 0.00 C ATOM 553 C MET A 104 -12.296 -9.599 -4.557 1.00 0.00 C ATOM 554 O MET A 104 -12.663 -10.772 -4.480 1.00 0.00 O ATOM 555 CB MET A 104 -11.286 -9.152 -6.802 1.00 0.00 C ATOM 556 CG MET A 104 -11.484 -8.629 -8.216 1.00 0.00 C ATOM 557 SD MET A 104 -10.694 -9.670 -9.458 1.00 0.00 S ATOM 558 CE MET A 104 -12.125 -10.298 -10.333 1.00 0.00 C ATOM 0 H MET A 104 -11.573 -6.936 -5.536 1.00 0.00 H new ATOM 0 HA MET A 104 -13.382 -9.105 -6.332 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.364 -8.736 -6.395 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.159 -10.234 -6.838 1.00 0.00 H new ATOM 0 HG2 MET A 104 -12.551 -8.562 -8.429 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.082 -7.618 -8.285 1.00 0.00 H new ATOM 0 HE1 MET A 104 -11.799 -10.960 -11.135 1.00 0.00 H new ATOM 0 HE2 MET A 104 -12.761 -10.851 -9.641 1.00 0.00 H new ATOM 0 HE3 MET A 104 -12.687 -9.465 -10.756 1.00 0.00 H new ATOM 568 N LYS A 105 -11.756 -8.942 -3.536 1.00 0.00 N ATOM 569 CA LYS A 105 -11.561 -9.575 -2.236 1.00 0.00 C ATOM 570 C LYS A 105 -10.609 -10.761 -2.346 1.00 0.00 C ATOM 571 O LYS A 105 -10.802 -11.788 -1.694 1.00 0.00 O ATOM 572 CB LYS A 105 -12.903 -10.036 -1.664 1.00 0.00 C ATOM 573 CG LYS A 105 -13.769 -8.898 -1.152 1.00 0.00 C ATOM 574 CD LYS A 105 -13.241 -8.341 0.159 1.00 0.00 C ATOM 575 CE LYS A 105 -13.575 -9.255 1.328 1.00 0.00 C ATOM 576 NZ LYS A 105 -12.619 -9.083 2.457 1.00 0.00 N ATOM 0 H LYS A 105 -11.446 -7.972 -3.583 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.120 -8.839 -1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.450 -10.579 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.720 -10.737 -0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.805 -8.104 -1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.791 -9.251 -1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.160 -8.214 0.093 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.668 -7.354 0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.587 -9.047 1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.560 -10.292 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.881 -9.723 3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.656 -9.306 2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.652 -8.099 2.793 1.00 0.00 H new ATOM 590 N LEU A 106 -9.580 -10.613 -3.174 1.00 0.00 N ATOM 591 CA LEU A 106 -8.596 -11.673 -3.368 1.00 0.00 C ATOM 592 C LEU A 106 -7.598 -11.707 -2.215 1.00 0.00 C ATOM 593 O LEU A 106 -7.168 -10.664 -1.724 1.00 0.00 O ATOM 594 CB LEU A 106 -7.857 -11.473 -4.692 1.00 0.00 C ATOM 595 CG LEU A 106 -8.732 -11.190 -5.914 1.00 0.00 C ATOM 596 CD1 LEU A 106 -7.888 -10.667 -7.066 1.00 0.00 C ATOM 597 CD2 LEU A 106 -9.488 -12.443 -6.330 1.00 0.00 C ATOM 0 H LEU A 106 -9.406 -9.770 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.125 -12.626 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.157 -10.646 -4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.265 -12.366 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.459 -10.423 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.528 -10.471 -7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.393 -9.744 -6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.137 -11.410 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.105 -12.223 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.777 -13.231 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.124 -12.774 -5.509 1.00 0.00 H new ATOM 609 N GLU A 107 -7.234 -12.913 -1.790 1.00 0.00 N ATOM 610 CA GLU A 107 -6.285 -13.081 -0.696 1.00 0.00 C ATOM 611 C GLU A 107 -5.099 -13.938 -1.131 1.00 0.00 C ATOM 612 O GLU A 107 -5.226 -14.794 -2.007 1.00 0.00 O ATOM 613 CB GLU A 107 -6.974 -13.721 0.511 1.00 0.00 C ATOM 614 CG GLU A 107 -6.072 -13.852 1.727 1.00 0.00 C ATOM 615 CD GLU A 107 -6.851 -13.925 3.026 1.00 0.00 C ATOM 616 OE1 GLU A 107 -8.012 -14.386 2.997 1.00 0.00 O ATOM 617 OE2 GLU A 107 -6.300 -13.523 4.072 1.00 0.00 O ATOM 0 H GLU A 107 -7.581 -13.786 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 107 -5.915 -12.095 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.847 -13.125 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.337 -14.710 0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.458 -14.747 1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -5.391 -13.001 1.763 1.00 0.00 H new ATOM 624 N TYR A 108 -3.947 -13.700 -0.514 1.00 0.00 N ATOM 625 CA TYR A 108 -2.738 -14.447 -0.838 1.00 0.00 C ATOM 626 C TYR A 108 -2.118 -15.053 0.417 1.00 0.00 C ATOM 627 O TYR A 108 -2.622 -14.864 1.524 1.00 0.00 O ATOM 628 CB TYR A 108 -1.723 -13.537 -1.534 1.00 0.00 C ATOM 629 CG TYR A 108 -2.342 -12.609 -2.555 1.00 0.00 C ATOM 630 CD1 TYR A 108 -2.924 -13.108 -3.714 1.00 0.00 C ATOM 631 CD2 TYR A 108 -2.345 -11.233 -2.359 1.00 0.00 C ATOM 632 CE1 TYR A 108 -3.489 -12.263 -4.649 1.00 0.00 C ATOM 633 CE2 TYR A 108 -2.910 -10.381 -3.289 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.480 -10.901 -4.432 1.00 0.00 C ATOM 635 OH TYR A 108 -4.044 -10.057 -5.361 1.00 0.00 O ATOM 0 H TYR A 108 -3.825 -12.995 0.213 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.012 -15.258 -1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.205 -12.942 -0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.971 -14.154 -2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.935 -14.174 -3.886 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.898 -10.823 -1.465 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.936 -12.667 -5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.905 -9.314 -3.122 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.955 -9.130 -5.057 1.00 0.00 H new ATOM 645 N GLU A 109 -1.021 -15.781 0.235 1.00 0.00 N ATOM 646 CA GLU A 109 -0.331 -16.415 1.353 1.00 0.00 C ATOM 647 C GLU A 109 0.724 -15.483 1.940 1.00 0.00 C ATOM 648 O GLU A 109 1.335 -14.688 1.225 1.00 0.00 O ATOM 649 CB GLU A 109 0.322 -17.723 0.902 1.00 0.00 C ATOM 650 CG GLU A 109 1.573 -17.522 0.064 1.00 0.00 C ATOM 651 CD GLU A 109 1.283 -16.853 -1.265 1.00 0.00 C ATOM 652 OE1 GLU A 109 1.129 -15.613 -1.284 1.00 0.00 O ATOM 653 OE2 GLU A 109 1.211 -17.567 -2.286 1.00 0.00 O ATOM 0 H GLU A 109 -0.591 -15.947 -0.675 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.068 -16.633 2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.575 -18.315 1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.401 -18.301 0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 109 2.287 -16.917 0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.045 -18.488 -0.115 1.00 0.00 H new ATOM 660 N LYS A 110 0.933 -15.585 3.249 1.00 0.00 N ATOM 661 CA LYS A 110 1.915 -14.753 3.934 1.00 0.00 C ATOM 662 C LYS A 110 3.303 -14.940 3.331 1.00 0.00 C ATOM 663 O LYS A 110 3.831 -16.052 3.295 1.00 0.00 O ATOM 664 CB LYS A 110 1.946 -15.090 5.427 1.00 0.00 C ATOM 665 CG LYS A 110 3.051 -14.380 6.188 1.00 0.00 C ATOM 666 CD LYS A 110 2.694 -14.203 7.655 1.00 0.00 C ATOM 667 CE LYS A 110 3.939 -14.123 8.526 1.00 0.00 C ATOM 668 NZ LYS A 110 4.559 -15.461 8.731 1.00 0.00 N ATOM 0 H LYS A 110 0.435 -16.236 3.856 1.00 0.00 H new ATOM 0 HA LYS A 110 1.622 -13.711 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.985 -14.828 5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 110 2.069 -16.167 5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.976 -14.950 6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.236 -13.405 5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.103 -13.296 7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.072 -15.036 7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.664 -13.454 8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.679 -13.691 9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.321 -15.386 9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.838 -16.129 9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.952 -15.803 7.831 1.00 0.00 H new ATOM 682 N CYS A 111 3.891 -13.845 2.860 1.00 0.00 N ATOM 683 CA CYS A 111 5.218 -13.888 2.259 1.00 0.00 C ATOM 684 C CYS A 111 6.271 -13.359 3.229 1.00 0.00 C ATOM 685 O CYS A 111 6.385 -12.152 3.438 1.00 0.00 O ATOM 686 CB CYS A 111 5.243 -13.069 0.967 1.00 0.00 C ATOM 687 SG CYS A 111 6.813 -13.175 0.049 1.00 0.00 S ATOM 0 H CYS A 111 3.469 -12.917 2.883 1.00 0.00 H new ATOM 0 HA CYS A 111 5.451 -14.927 2.027 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.433 -13.406 0.320 1.00 0.00 H new ATOM 0 HB3 CYS A 111 5.045 -12.024 1.208 1.00 0.00 H new ATOM 0 HG CYS A 111 7.146 -11.994 -0.379 1.00 0.00 H new ATOM 692 N GLU A 112 7.038 -14.272 3.817 1.00 0.00 N ATOM 693 CA GLU A 112 8.081 -13.898 4.765 1.00 0.00 C ATOM 694 C GLU A 112 9.200 -13.130 4.067 1.00 0.00 C ATOM 695 O GLU A 112 9.696 -12.128 4.583 1.00 0.00 O ATOM 696 CB GLU A 112 8.650 -15.142 5.449 1.00 0.00 C ATOM 697 CG GLU A 112 7.737 -15.722 6.515 1.00 0.00 C ATOM 698 CD GLU A 112 8.111 -17.142 6.895 1.00 0.00 C ATOM 699 OE1 GLU A 112 7.810 -18.065 6.110 1.00 0.00 O ATOM 700 OE2 GLU A 112 8.705 -17.329 7.977 1.00 0.00 O ATOM 0 H GLU A 112 6.957 -15.276 3.654 1.00 0.00 H new ATOM 0 HA GLU A 112 7.635 -13.250 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.844 -15.904 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 112 9.609 -14.891 5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 112 7.774 -15.091 7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 112 6.708 -15.705 6.155 1.00 0.00 H new ATOM 707 N ARG A 113 9.593 -13.609 2.891 1.00 0.00 N ATOM 708 CA ARG A 113 10.655 -12.970 2.122 1.00 0.00 C ATOM 709 C ARG A 113 10.496 -11.452 2.133 1.00 0.00 C ATOM 710 O ARG A 113 11.475 -10.715 2.022 1.00 0.00 O ATOM 711 CB ARG A 113 10.651 -13.484 0.682 1.00 0.00 C ATOM 712 CG ARG A 113 10.864 -14.985 0.570 1.00 0.00 C ATOM 713 CD ARG A 113 11.351 -15.377 -0.816 1.00 0.00 C ATOM 714 NE ARG A 113 12.772 -15.095 -0.997 1.00 0.00 N ATOM 715 CZ ARG A 113 13.347 -14.946 -2.185 1.00 0.00 C ATOM 716 NH1 ARG A 113 12.624 -15.051 -3.292 1.00 0.00 N ATOM 717 NH2 ARG A 113 14.646 -14.691 -2.268 1.00 0.00 N ATOM 0 H ARG A 113 9.192 -14.437 2.450 1.00 0.00 H new ATOM 0 HA ARG A 113 11.608 -13.221 2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.701 -13.225 0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.432 -12.972 0.120 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.590 -15.307 1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.930 -15.503 0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 113 11.169 -16.440 -0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 113 10.776 -14.837 -1.568 1.00 0.00 H new ATOM 0 HE ARG A 113 13.356 -15.008 -0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 113 11.625 -15.246 -3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 113 13.067 -14.936 -4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 113 15.205 -14.609 -1.419 1.00 0.00 H new ATOM 0 HH22 ARG A 113 15.086 -14.577 -3.181 1.00 0.00 H new ATOM 731 N SER A 114 9.255 -10.994 2.266 1.00 0.00 N ATOM 732 CA SER A 114 8.967 -9.564 2.286 1.00 0.00 C ATOM 733 C SER A 114 9.575 -8.870 1.071 1.00 0.00 C ATOM 734 O SER A 114 10.233 -7.837 1.196 1.00 0.00 O ATOM 735 CB SER A 114 9.505 -8.932 3.571 1.00 0.00 C ATOM 736 OG SER A 114 8.744 -9.337 4.696 1.00 0.00 O ATOM 0 H SER A 114 8.434 -11.591 2.361 1.00 0.00 H new ATOM 0 HA SER A 114 7.885 -9.436 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.548 -9.217 3.711 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.481 -7.846 3.484 1.00 0.00 H new ATOM 0 HG SER A 114 8.874 -10.296 4.851 1.00 0.00 H new ATOM 742 N CYS A 115 9.349 -9.446 -0.105 1.00 0.00 N ATOM 743 CA CYS A 115 9.874 -8.885 -1.345 1.00 0.00 C ATOM 744 C CYS A 115 9.754 -7.363 -1.347 1.00 0.00 C ATOM 745 O CYS A 115 8.808 -6.803 -0.793 1.00 0.00 O ATOM 746 CB CYS A 115 9.130 -9.468 -2.548 1.00 0.00 C ATOM 747 SG CYS A 115 8.826 -11.260 -2.437 1.00 0.00 S ATOM 0 H CYS A 115 8.806 -10.301 -0.226 1.00 0.00 H new ATOM 0 HA CYS A 115 10.929 -9.149 -1.416 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.175 -8.954 -2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.705 -9.263 -3.451 1.00 0.00 H new ATOM 0 HG CYS A 115 7.546 -11.486 -2.475 1.00 0.00 H new ATOM 752 N LYS A 116 10.720 -6.700 -1.974 1.00 0.00 N ATOM 753 CA LYS A 116 10.724 -5.244 -2.051 1.00 0.00 C ATOM 754 C LYS A 116 10.144 -4.768 -3.379 1.00 0.00 C ATOM 755 O LYS A 116 10.768 -4.919 -4.429 1.00 0.00 O ATOM 756 CB LYS A 116 12.147 -4.708 -1.882 1.00 0.00 C ATOM 757 CG LYS A 116 12.777 -5.064 -0.547 1.00 0.00 C ATOM 758 CD LYS A 116 14.217 -4.585 -0.464 1.00 0.00 C ATOM 759 CE LYS A 116 14.294 -3.070 -0.357 1.00 0.00 C ATOM 760 NZ LYS A 116 15.599 -2.619 0.202 1.00 0.00 N ATOM 0 H LYS A 116 11.511 -7.148 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 116 10.100 -4.860 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.771 -5.100 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 116 12.133 -3.623 -1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.197 -4.617 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.743 -6.144 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.703 -5.037 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 116 14.764 -4.917 -1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.149 -2.628 -1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.483 -2.709 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.612 -1.581 0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 15.726 -3.020 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.371 -2.941 -0.415 1.00 0.00 H new ATOM 774 N ILE A 117 8.947 -4.192 -3.324 1.00 0.00 N ATOM 775 CA ILE A 117 8.285 -3.692 -4.522 1.00 0.00 C ATOM 776 C ILE A 117 9.073 -2.546 -5.147 1.00 0.00 C ATOM 777 O ILE A 117 8.856 -1.380 -4.819 1.00 0.00 O ATOM 778 CB ILE A 117 6.855 -3.210 -4.216 1.00 0.00 C ATOM 779 CG1 ILE A 117 6.076 -4.297 -3.471 1.00 0.00 C ATOM 780 CG2 ILE A 117 6.139 -2.825 -5.501 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.834 -5.541 -4.297 1.00 0.00 C ATOM 0 H ILE A 117 8.417 -4.060 -2.463 1.00 0.00 H new ATOM 0 HA ILE A 117 8.236 -4.523 -5.226 1.00 0.00 H new ATOM 0 HB ILE A 117 6.913 -2.328 -3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.623 -4.571 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.116 -3.891 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.130 -2.487 -5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.686 -2.022 -5.996 1.00 0.00 H new ATOM 0 HG23 ILE A 117 6.088 -3.690 -6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.277 -6.268 -3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 117 5.260 -5.281 -5.187 1.00 0.00 H new ATOM 0 HD13 ILE A 117 6.790 -5.972 -4.595 1.00 0.00 H new ATOM 793 N GLN A 118 9.986 -2.886 -6.051 1.00 0.00 N ATOM 794 CA GLN A 118 10.805 -1.884 -6.723 1.00 0.00 C ATOM 795 C GLN A 118 10.320 -1.653 -8.150 1.00 0.00 C ATOM 796 O GLN A 118 9.803 -2.564 -8.797 1.00 0.00 O ATOM 797 CB GLN A 118 12.272 -2.318 -6.734 1.00 0.00 C ATOM 798 CG GLN A 118 13.008 -2.009 -5.440 1.00 0.00 C ATOM 799 CD GLN A 118 12.942 -0.541 -5.068 1.00 0.00 C ATOM 800 OE1 GLN A 118 11.996 -0.095 -4.418 1.00 0.00 O ATOM 801 NE2 GLN A 118 13.949 0.220 -5.479 1.00 0.00 N ATOM 0 H GLN A 118 10.177 -3.847 -6.335 1.00 0.00 H new ATOM 0 HA GLN A 118 10.715 -0.948 -6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 118 12.324 -3.390 -6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.783 -1.823 -7.560 1.00 0.00 H new ATOM 0 HG2 GLN A 118 12.581 -2.604 -4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 118 14.051 -2.308 -5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 118 14.713 -0.191 -6.015 1.00 0.00 H new ATOM 0 HE22 GLN A 118 13.959 1.216 -5.258 1.00 0.00 H new ATOM 810 N LYS A 119 10.491 -0.429 -8.637 1.00 0.00 N ATOM 811 CA LYS A 119 10.072 -0.077 -9.988 1.00 0.00 C ATOM 812 C LYS A 119 10.543 -1.122 -10.994 1.00 0.00 C ATOM 813 O LYS A 119 9.776 -1.567 -11.849 1.00 0.00 O ATOM 814 CB LYS A 119 10.621 1.299 -10.372 1.00 0.00 C ATOM 815 CG LYS A 119 12.137 1.383 -10.331 1.00 0.00 C ATOM 816 CD LYS A 119 12.620 2.818 -10.456 1.00 0.00 C ATOM 817 CE LYS A 119 12.534 3.553 -9.127 1.00 0.00 C ATOM 818 NZ LYS A 119 12.597 5.030 -9.306 1.00 0.00 N ATOM 0 H LYS A 119 10.917 0.337 -8.115 1.00 0.00 H new ATOM 0 HA LYS A 119 8.983 -0.046 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.279 1.550 -11.376 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.206 2.048 -9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.501 0.956 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.557 0.785 -11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.650 2.827 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.021 3.341 -11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.604 3.287 -8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.350 3.230 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.535 5.495 -8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.495 5.286 -9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.804 5.342 -9.903 1.00 0.00 H new ATOM 832 N LYS A 120 11.808 -1.513 -10.886 1.00 0.00 N ATOM 833 CA LYS A 120 12.382 -2.508 -11.783 1.00 0.00 C ATOM 834 C LYS A 120 11.530 -3.773 -11.809 1.00 0.00 C ATOM 835 O LYS A 120 11.174 -4.272 -12.876 1.00 0.00 O ATOM 836 CB LYS A 120 13.810 -2.852 -11.352 1.00 0.00 C ATOM 837 CG LYS A 120 13.912 -3.329 -9.914 1.00 0.00 C ATOM 838 CD LYS A 120 15.351 -3.323 -9.426 1.00 0.00 C ATOM 839 CE LYS A 120 15.828 -1.912 -9.114 1.00 0.00 C ATOM 840 NZ LYS A 120 17.276 -1.880 -8.768 1.00 0.00 N ATOM 0 H LYS A 120 12.456 -1.155 -10.185 1.00 0.00 H new ATOM 0 HA LYS A 120 12.404 -2.084 -12.787 1.00 0.00 H new ATOM 0 HB2 LYS A 120 14.203 -3.626 -12.012 1.00 0.00 H new ATOM 0 HB3 LYS A 120 14.441 -1.973 -11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.307 -2.688 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.504 -4.336 -9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 120 15.436 -3.943 -8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.996 -3.767 -10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 120 15.646 -1.268 -9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 120 15.247 -1.507 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.562 -0.902 -8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 17.446 -2.474 -7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 17.832 -2.242 -9.569 1.00 0.00 H new ATOM 854 N ASN A 121 11.204 -4.286 -10.627 1.00 0.00 N ATOM 855 CA ASN A 121 10.392 -5.492 -10.514 1.00 0.00 C ATOM 856 C ASN A 121 9.214 -5.269 -9.570 1.00 0.00 C ATOM 857 O ASN A 121 9.249 -5.681 -8.410 1.00 0.00 O ATOM 858 CB ASN A 121 11.244 -6.661 -10.017 1.00 0.00 C ATOM 859 CG ASN A 121 12.199 -7.173 -11.079 1.00 0.00 C ATOM 860 OD1 ASN A 121 12.811 -6.392 -11.807 1.00 0.00 O ATOM 861 ND2 ASN A 121 12.329 -8.491 -11.171 1.00 0.00 N ATOM 0 H ASN A 121 11.490 -3.885 -9.734 1.00 0.00 H new ATOM 0 HA ASN A 121 10.001 -5.731 -11.503 1.00 0.00 H new ATOM 0 HB2 ASN A 121 11.813 -6.346 -9.142 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.591 -7.473 -9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.957 -8.894 -11.867 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.801 -9.100 -10.546 1.00 0.00 H new ATOM 868 N ARG A 122 8.173 -4.615 -10.075 1.00 0.00 N ATOM 869 CA ARG A 122 6.986 -4.337 -9.277 1.00 0.00 C ATOM 870 C ARG A 122 5.989 -5.489 -9.365 1.00 0.00 C ATOM 871 O ARG A 122 5.250 -5.757 -8.419 1.00 0.00 O ATOM 872 CB ARG A 122 6.324 -3.039 -9.744 1.00 0.00 C ATOM 873 CG ARG A 122 5.865 -3.077 -11.193 1.00 0.00 C ATOM 874 CD ARG A 122 5.005 -1.871 -11.536 1.00 0.00 C ATOM 875 NE ARG A 122 4.507 -1.927 -12.908 1.00 0.00 N ATOM 876 CZ ARG A 122 5.216 -1.544 -13.964 1.00 0.00 C ATOM 877 NH1 ARG A 122 6.448 -1.080 -13.806 1.00 0.00 N ATOM 878 NH2 ARG A 122 4.694 -1.625 -15.181 1.00 0.00 N ATOM 0 H ARG A 122 8.128 -4.268 -11.033 1.00 0.00 H new ATOM 0 HA ARG A 122 7.296 -4.226 -8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.466 -2.828 -9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.027 -2.216 -9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.734 -3.105 -11.851 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.300 -3.991 -11.373 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.163 -1.818 -10.846 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.587 -0.960 -11.398 1.00 0.00 H new ATOM 0 HE ARG A 122 3.563 -2.280 -13.064 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.853 -1.017 -12.872 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.991 -0.787 -14.618 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.747 -1.982 -15.307 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.240 -1.330 -15.991 1.00 0.00 H new ATOM 892 N ASN A 123 5.976 -6.167 -10.508 1.00 0.00 N ATOM 893 CA ASN A 123 5.069 -7.290 -10.720 1.00 0.00 C ATOM 894 C ASN A 123 5.757 -8.612 -10.397 1.00 0.00 C ATOM 895 O ASN A 123 5.652 -9.580 -11.151 1.00 0.00 O ATOM 896 CB ASN A 123 4.569 -7.302 -12.166 1.00 0.00 C ATOM 897 CG ASN A 123 3.701 -6.101 -12.488 1.00 0.00 C ATOM 898 OD1 ASN A 123 2.995 -5.581 -11.623 1.00 0.00 O ATOM 899 ND2 ASN A 123 3.750 -5.654 -13.738 1.00 0.00 N ATOM 0 H ASN A 123 6.583 -5.959 -11.301 1.00 0.00 H new ATOM 0 HA ASN A 123 4.218 -7.170 -10.049 1.00 0.00 H new ATOM 0 HB2 ASN A 123 5.423 -7.321 -12.843 1.00 0.00 H new ATOM 0 HB3 ASN A 123 4.001 -8.215 -12.344 1.00 0.00 H new ATOM 0 HD21 ASN A 123 3.188 -4.849 -14.014 1.00 0.00 H new ATOM 0 HD22 ASN A 123 4.349 -6.116 -14.422 1.00 0.00 H new ATOM 906 N LYS A 124 6.461 -8.647 -9.271 1.00 0.00 N ATOM 907 CA LYS A 124 7.166 -9.851 -8.845 1.00 0.00 C ATOM 908 C LYS A 124 6.316 -10.663 -7.873 1.00 0.00 C ATOM 909 O LYS A 124 5.949 -11.804 -8.158 1.00 0.00 O ATOM 910 CB LYS A 124 8.498 -9.482 -8.188 1.00 0.00 C ATOM 911 CG LYS A 124 9.575 -10.538 -8.363 1.00 0.00 C ATOM 912 CD LYS A 124 9.344 -11.727 -7.445 1.00 0.00 C ATOM 913 CE LYS A 124 10.440 -12.771 -7.599 1.00 0.00 C ATOM 914 NZ LYS A 124 10.184 -13.677 -8.753 1.00 0.00 N ATOM 0 H LYS A 124 6.559 -7.855 -8.636 1.00 0.00 H new ATOM 0 HA LYS A 124 7.360 -10.460 -9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.852 -8.541 -8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.334 -9.315 -7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.591 -10.875 -9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.552 -10.101 -8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.307 -11.387 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 124 8.377 -12.178 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.400 -12.273 -7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.512 -13.359 -6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 10.953 -14.374 -8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.280 -14.172 -8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.140 -13.119 -9.629 1.00 0.00 H new ATOM 928 N CYS A 125 6.004 -10.069 -6.727 1.00 0.00 N ATOM 929 CA CYS A 125 5.197 -10.736 -5.713 1.00 0.00 C ATOM 930 C CYS A 125 3.859 -10.025 -5.529 1.00 0.00 C ATOM 931 O CYS A 125 3.762 -8.811 -5.702 1.00 0.00 O ATOM 932 CB CYS A 125 5.949 -10.784 -4.382 1.00 0.00 C ATOM 933 SG CYS A 125 5.095 -11.729 -3.079 1.00 0.00 S ATOM 0 H CYS A 125 6.298 -9.125 -6.477 1.00 0.00 H new ATOM 0 HA CYS A 125 5.004 -11.755 -6.050 1.00 0.00 H new ATOM 0 HB2 CYS A 125 6.933 -11.223 -4.548 1.00 0.00 H new ATOM 0 HB3 CYS A 125 6.110 -9.765 -4.031 1.00 0.00 H new ATOM 0 HG CYS A 125 5.353 -11.200 -1.920 1.00 0.00 H new ATOM 938 N GLN A 126 2.832 -10.792 -5.176 1.00 0.00 N ATOM 939 CA GLN A 126 1.500 -10.235 -4.969 1.00 0.00 C ATOM 940 C GLN A 126 1.322 -9.771 -3.527 1.00 0.00 C ATOM 941 O GLN A 126 1.175 -8.578 -3.262 1.00 0.00 O ATOM 942 CB GLN A 126 0.431 -11.272 -5.319 1.00 0.00 C ATOM 943 CG GLN A 126 -0.008 -11.225 -6.773 1.00 0.00 C ATOM 944 CD GLN A 126 -1.104 -12.226 -7.084 1.00 0.00 C ATOM 945 OE1 GLN A 126 -2.176 -11.860 -7.566 1.00 0.00 O ATOM 946 NE2 GLN A 126 -0.839 -13.498 -6.810 1.00 0.00 N ATOM 0 H GLN A 126 2.897 -11.799 -5.028 1.00 0.00 H new ATOM 0 HA GLN A 126 1.388 -9.372 -5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 126 0.815 -12.267 -5.096 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -0.438 -11.115 -4.680 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.360 -10.221 -7.010 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.851 -11.421 -7.415 1.00 0.00 H new ATOM 0 HE21 GLN A 126 0.063 -13.756 -6.411 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -1.538 -14.217 -6.999 1.00 0.00 H new ATOM 955 N TYR A 127 1.337 -10.722 -2.599 1.00 0.00 N ATOM 956 CA TYR A 127 1.175 -10.411 -1.183 1.00 0.00 C ATOM 957 C TYR A 127 1.930 -9.137 -0.815 1.00 0.00 C ATOM 958 O TYR A 127 1.339 -8.163 -0.348 1.00 0.00 O ATOM 959 CB TYR A 127 1.668 -11.576 -0.324 1.00 0.00 C ATOM 960 CG TYR A 127 1.491 -11.350 1.161 1.00 0.00 C ATOM 961 CD1 TYR A 127 0.277 -11.611 1.783 1.00 0.00 C ATOM 962 CD2 TYR A 127 2.539 -10.878 1.941 1.00 0.00 C ATOM 963 CE1 TYR A 127 0.111 -11.405 3.139 1.00 0.00 C ATOM 964 CE2 TYR A 127 2.383 -10.671 3.298 1.00 0.00 C ATOM 965 CZ TYR A 127 1.167 -10.936 3.892 1.00 0.00 C ATOM 966 OH TYR A 127 1.005 -10.731 5.244 1.00 0.00 O ATOM 0 H TYR A 127 1.460 -11.714 -2.802 1.00 0.00 H new ATOM 0 HA TYR A 127 0.114 -10.251 -0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 127 1.133 -12.481 -0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.723 -11.750 -0.533 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -0.551 -11.981 1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.492 -10.669 1.479 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -0.841 -11.610 3.607 1.00 0.00 H new ATOM 0 HE2 TYR A 127 3.208 -10.304 3.890 1.00 0.00 H new ATOM 0 HH TYR A 127 1.844 -10.400 5.627 1.00 0.00 H new ATOM 976 N CYS A 128 3.241 -9.151 -1.031 1.00 0.00 N ATOM 977 CA CYS A 128 4.080 -7.999 -0.723 1.00 0.00 C ATOM 978 C CYS A 128 3.496 -6.725 -1.327 1.00 0.00 C ATOM 979 O CYS A 128 3.471 -5.676 -0.683 1.00 0.00 O ATOM 980 CB CYS A 128 5.500 -8.221 -1.247 1.00 0.00 C ATOM 981 SG CYS A 128 6.458 -9.449 -0.303 1.00 0.00 S ATOM 0 H CYS A 128 3.746 -9.948 -1.418 1.00 0.00 H new ATOM 0 HA CYS A 128 4.114 -7.884 0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.446 -8.540 -2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 128 6.034 -7.271 -1.233 1.00 0.00 H new ATOM 0 HG CYS A 128 7.138 -10.193 -1.124 1.00 0.00 H new ATOM 986 N ARG A 129 3.027 -6.825 -2.566 1.00 0.00 N ATOM 987 CA ARG A 129 2.445 -5.681 -3.257 1.00 0.00 C ATOM 988 C ARG A 129 1.287 -5.093 -2.456 1.00 0.00 C ATOM 989 O ARG A 129 1.344 -3.946 -2.012 1.00 0.00 O ATOM 990 CB ARG A 129 1.960 -6.092 -4.649 1.00 0.00 C ATOM 991 CG ARG A 129 2.031 -4.972 -5.674 1.00 0.00 C ATOM 992 CD ARG A 129 2.259 -5.514 -7.076 1.00 0.00 C ATOM 993 NE ARG A 129 1.005 -5.872 -7.735 1.00 0.00 N ATOM 994 CZ ARG A 129 0.916 -6.777 -8.703 1.00 0.00 C ATOM 995 NH1 ARG A 129 2.002 -7.413 -9.123 1.00 0.00 N ATOM 996 NH2 ARG A 129 -0.260 -7.049 -9.253 1.00 0.00 N ATOM 0 H ARG A 129 3.039 -7.686 -3.112 1.00 0.00 H new ATOM 0 HA ARG A 129 3.217 -4.919 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.559 -6.932 -5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 129 0.930 -6.442 -4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.105 -4.397 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.838 -4.288 -5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.782 -4.767 -7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.905 -6.390 -7.025 1.00 0.00 H new ATOM 0 HE ARG A 129 0.151 -5.401 -7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 129 2.908 -7.207 -8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 129 1.931 -8.108 -9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -1.098 -6.563 -8.933 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -0.327 -7.744 -9.996 1.00 0.00 H new ATOM 1010 N PHE A 130 0.237 -5.887 -2.274 1.00 0.00 N ATOM 1011 CA PHE A 130 -0.935 -5.446 -1.528 1.00 0.00 C ATOM 1012 C PHE A 130 -0.533 -4.877 -0.170 1.00 0.00 C ATOM 1013 O PHE A 130 -0.933 -3.771 0.193 1.00 0.00 O ATOM 1014 CB PHE A 130 -1.912 -6.608 -1.337 1.00 0.00 C ATOM 1015 CG PHE A 130 -3.271 -6.177 -0.863 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -4.127 -5.489 -1.707 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.691 -6.460 0.427 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -5.379 -5.092 -1.275 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -4.941 -6.065 0.864 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.786 -5.379 0.013 1.00 0.00 C ATOM 0 H PHE A 130 0.174 -6.840 -2.633 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.425 -4.659 -2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -2.018 -7.142 -2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.492 -7.311 -0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.813 -5.260 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -3.035 -6.995 1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -6.038 -4.558 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.258 -6.293 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.762 -5.068 0.354 1.00 0.00 H new ATOM 1030 N GLN A 131 0.260 -5.641 0.574 1.00 0.00 N ATOM 1031 CA GLN A 131 0.716 -5.213 1.891 1.00 0.00 C ATOM 1032 C GLN A 131 1.199 -3.767 1.857 1.00 0.00 C ATOM 1033 O GLN A 131 0.749 -2.933 2.643 1.00 0.00 O ATOM 1034 CB GLN A 131 1.838 -6.127 2.387 1.00 0.00 C ATOM 1035 CG GLN A 131 1.338 -7.410 3.032 1.00 0.00 C ATOM 1036 CD GLN A 131 0.407 -7.151 4.200 1.00 0.00 C ATOM 1037 OE1 GLN A 131 -0.782 -6.893 4.016 1.00 0.00 O ATOM 1038 NE2 GLN A 131 0.945 -7.221 5.412 1.00 0.00 N ATOM 0 H GLN A 131 0.600 -6.559 0.287 1.00 0.00 H new ATOM 0 HA GLN A 131 -0.127 -5.278 2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.486 -6.381 1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.448 -5.582 3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.819 -8.010 2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.191 -7.996 3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 131 1.936 -7.438 5.518 1.00 0.00 H new ATOM 0 HE22 GLN A 131 0.367 -7.058 6.237 1.00 0.00 H new ATOM 1047 N LYS A 132 2.118 -3.477 0.943 1.00 0.00 N ATOM 1048 CA LYS A 132 2.662 -2.131 0.805 1.00 0.00 C ATOM 1049 C LYS A 132 1.548 -1.089 0.823 1.00 0.00 C ATOM 1050 O LYS A 132 1.625 -0.098 1.550 1.00 0.00 O ATOM 1051 CB LYS A 132 3.464 -2.014 -0.494 1.00 0.00 C ATOM 1052 CG LYS A 132 4.365 -0.792 -0.544 1.00 0.00 C ATOM 1053 CD LYS A 132 5.552 -1.012 -1.466 1.00 0.00 C ATOM 1054 CE LYS A 132 6.417 0.235 -1.568 1.00 0.00 C ATOM 1055 NZ LYS A 132 7.779 -0.076 -2.085 1.00 0.00 N ATOM 0 H LYS A 132 2.502 -4.156 0.286 1.00 0.00 H new ATOM 0 HA LYS A 132 3.323 -1.944 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.073 -2.910 -0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.773 -1.980 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.792 0.070 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.721 -0.560 0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 132 6.152 -1.843 -1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 132 5.197 -1.292 -2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 132 5.935 0.958 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.499 0.702 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.374 0.775 -2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 8.203 -0.834 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.712 -0.386 -3.075 1.00 0.00 H new ATOM 1069 N CYS A 133 0.515 -1.320 0.022 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.616 -0.401 -0.053 1.00 0.00 C ATOM 1071 C CYS A 133 -1.167 -0.103 1.337 1.00 0.00 C ATOM 1072 O CYS A 133 -1.304 1.058 1.726 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.718 -0.987 -0.937 1.00 0.00 C ATOM 1074 SG CYS A 133 -1.245 -1.188 -2.671 1.00 0.00 S ATOM 0 H CYS A 133 0.436 -2.136 -0.585 1.00 0.00 H new ATOM 0 HA CYS A 133 -0.266 0.533 -0.493 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -2.012 -1.957 -0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.594 -0.341 -0.883 1.00 0.00 H new ATOM 0 HG CYS A 133 -1.764 -0.227 -3.377 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.482 -1.157 2.082 1.00 0.00 N ATOM 1081 CA LEU A 134 -2.020 -1.008 3.429 1.00 0.00 C ATOM 1082 C LEU A 134 -1.159 -0.061 4.258 1.00 0.00 C ATOM 1083 O LEU A 134 -1.666 0.876 4.875 1.00 0.00 O ATOM 1084 CB LEU A 134 -2.107 -2.371 4.118 1.00 0.00 C ATOM 1085 CG LEU A 134 -3.034 -3.396 3.463 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -2.892 -4.752 4.138 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -4.478 -2.920 3.516 1.00 0.00 C ATOM 0 H LEU A 134 -1.374 -2.124 1.776 1.00 0.00 H new ATOM 0 HA LEU A 134 -3.021 -0.583 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.104 -2.796 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -2.437 -2.216 5.145 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.746 -3.502 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -3.559 -5.469 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -1.862 -5.098 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -3.153 -4.663 5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.123 -3.662 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -4.779 -2.785 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.568 -1.972 2.986 1.00 0.00 H new ATOM 1099 N ALA A 135 0.146 -0.310 4.267 1.00 0.00 N ATOM 1100 CA ALA A 135 1.079 0.523 5.016 1.00 0.00 C ATOM 1101 C ALA A 135 1.089 1.951 4.483 1.00 0.00 C ATOM 1102 O ALA A 135 1.204 2.910 5.248 1.00 0.00 O ATOM 1103 CB ALA A 135 2.478 -0.072 4.963 1.00 0.00 C ATOM 0 H ALA A 135 0.582 -1.083 3.764 1.00 0.00 H new ATOM 0 HA ALA A 135 0.748 0.553 6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.164 0.561 5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.465 -1.071 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.809 -0.132 3.926 1.00 0.00 H new ATOM 1109 N LEU A 136 0.968 2.088 3.167 1.00 0.00 N ATOM 1110 CA LEU A 136 0.964 3.401 2.531 1.00 0.00 C ATOM 1111 C LEU A 136 -0.181 4.259 3.061 1.00 0.00 C ATOM 1112 O LEU A 136 -0.099 5.486 3.067 1.00 0.00 O ATOM 1113 CB LEU A 136 0.845 3.254 1.013 1.00 0.00 C ATOM 1114 CG LEU A 136 2.086 2.727 0.291 1.00 0.00 C ATOM 1115 CD1 LEU A 136 1.767 2.419 -1.163 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.225 3.732 0.388 1.00 0.00 C ATOM 0 H LEU A 136 0.871 1.306 2.520 1.00 0.00 H new ATOM 0 HA LEU A 136 1.906 3.896 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.012 2.585 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.590 4.227 0.593 1.00 0.00 H new ATOM 0 HG LEU A 136 2.400 1.803 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.662 2.045 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.983 1.664 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.427 3.327 -1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.100 3.341 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.921 4.672 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.471 3.903 1.436 1.00 0.00 H new ATOM 1128 N GLY A 137 -1.248 3.603 3.508 1.00 0.00 N ATOM 1129 CA GLY A 137 -2.393 4.321 4.036 1.00 0.00 C ATOM 1130 C GLY A 137 -3.580 4.292 3.095 1.00 0.00 C ATOM 1131 O GLY A 137 -4.471 5.136 3.182 1.00 0.00 O ATOM 0 H GLY A 137 -1.339 2.587 3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.681 3.886 4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -2.111 5.356 4.229 1.00 0.00 H new ATOM 1135 N MET A 138 -3.593 3.317 2.191 1.00 0.00 N ATOM 1136 CA MET A 138 -4.680 3.182 1.229 1.00 0.00 C ATOM 1137 C MET A 138 -5.972 2.763 1.924 1.00 0.00 C ATOM 1138 O MET A 138 -6.096 1.634 2.396 1.00 0.00 O ATOM 1139 CB MET A 138 -4.313 2.159 0.152 1.00 0.00 C ATOM 1140 CG MET A 138 -3.233 2.642 -0.802 1.00 0.00 C ATOM 1141 SD MET A 138 -3.220 1.729 -2.357 1.00 0.00 S ATOM 1142 CE MET A 138 -2.786 3.030 -3.509 1.00 0.00 C ATOM 0 H MET A 138 -2.863 2.610 2.105 1.00 0.00 H new ATOM 0 HA MET A 138 -4.838 4.153 0.759 1.00 0.00 H new ATOM 0 HB2 MET A 138 -3.977 1.241 0.634 1.00 0.00 H new ATOM 0 HB3 MET A 138 -5.207 1.910 -0.420 1.00 0.00 H new ATOM 0 HG2 MET A 138 -3.384 3.702 -1.009 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.260 2.546 -0.321 1.00 0.00 H new ATOM 0 HE1 MET A 138 -3.060 2.728 -4.520 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.321 3.943 -3.246 1.00 0.00 H new ATOM 0 HE3 MET A 138 -1.712 3.213 -3.464 1.00 0.00 H new ATOM 1152 N SER A 139 -6.931 3.682 1.984 1.00 0.00 N ATOM 1153 CA SER A 139 -8.212 3.410 2.625 1.00 0.00 C ATOM 1154 C SER A 139 -9.155 2.686 1.669 1.00 0.00 C ATOM 1155 O SER A 139 -9.308 3.080 0.512 1.00 0.00 O ATOM 1156 CB SER A 139 -8.854 4.713 3.104 1.00 0.00 C ATOM 1157 OG SER A 139 -7.951 5.466 3.894 1.00 0.00 O ATOM 0 H SER A 139 -6.845 4.621 1.596 1.00 0.00 H new ATOM 0 HA SER A 139 -8.030 2.766 3.485 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.170 5.304 2.244 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.750 4.489 3.683 1.00 0.00 H new ATOM 0 HG SER A 139 -8.385 6.295 4.186 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.786 1.624 2.160 1.00 0.00 N ATOM 1164 CA HIS A 140 -10.716 0.844 1.351 1.00 0.00 C ATOM 1165 C HIS A 140 -12.017 1.609 1.129 1.00 0.00 C ATOM 1166 O HIS A 140 -12.461 1.783 -0.005 1.00 0.00 O ATOM 1167 CB HIS A 140 -11.007 -0.498 2.022 1.00 0.00 C ATOM 1168 CG HIS A 140 -9.781 -1.317 2.280 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -8.638 -1.225 1.514 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -9.521 -2.247 3.229 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -7.730 -2.064 1.978 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -8.240 -2.696 3.020 1.00 0.00 N ATOM 0 H HIS A 140 -9.670 1.284 3.115 1.00 0.00 H new ATOM 0 HA HIS A 140 -10.252 0.663 0.381 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -11.520 -0.319 2.967 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -11.690 -1.069 1.393 1.00 0.00 H new ATOM 0 HD1 HIS A 140 -8.513 -0.605 0.714 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -10.196 -2.575 4.006 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -6.739 -2.209 1.574 1.00 0.00 H new