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 133 CYS SG : rot -125:sc= -0.569 USER MOD Set 1.2: A 138 MET CE :methyl -178:sc= -0.0789 (180deg=-0.0042) USER MOD Set 2.1: A 111 CYS SG : rot -146:sc= 0.155 USER MOD Set 2.2: A 115 CYS SG : rot 131:sc= 0.254 USER MOD Set 2.3: A 124 LYS NZ :NH3+ 170:sc= 0.0084 (180deg=0) USER MOD Set 2.4: A 125 CYS SG : rot -158:sc= 0.965 USER MOD Set 2.5: A 128 CYS SG : rot 140:sc= -0.136 USER MOD Set 3.1: A 74 CYS SG : rot -7:sc= -0.413 USER MOD Set 3.2: A 77 CYS SG : rot -58:sc= 1.06 USER MOD Set 3.3: A 91 CYS SG : rot -129:sc= 1.35 USER MOD Set 3.4: A 94 CYS SG : rot 137:sc= -1.33 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-3.5!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc=-0.00561 X(o=-0.0056,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -174:sc= -1.25 (180deg=-1.28) USER MOD Single : A 101 THR OG1 : rot 77:sc= 0.28 USER MOD Single : A 104 MET CE :methyl -118:sc= -0.177 (180deg=-0.728) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot -60:sc= 0.109 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 157:sc= -0.0791 (180deg=-0.47) USER MOD Single : A 121 ASN : amide:sc= -0.0302 K(o=-0.03,f=-3.3!) USER MOD Single : A 123 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.62) USER MOD Single : A 126 GLN : amide:sc= -0.566 K(o=-0.57,f=-4!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.3) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HD1:sc= -2.85 K(o=-2.9,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 73 6.418 10.609 -7.823 1.00 0.00 N ATOM 84 CA GLU A 73 6.603 9.237 -8.279 1.00 0.00 C ATOM 85 C GLU A 73 5.847 8.259 -7.384 1.00 0.00 C ATOM 86 O GLU A 73 5.858 8.385 -6.159 1.00 0.00 O ATOM 87 CB GLU A 73 8.090 8.879 -8.301 1.00 0.00 C ATOM 88 CG GLU A 73 8.685 8.665 -6.919 1.00 0.00 C ATOM 89 CD GLU A 73 10.195 8.806 -6.905 1.00 0.00 C ATOM 90 OE1 GLU A 73 10.738 9.450 -7.827 1.00 0.00 O ATOM 91 OE2 GLU A 73 10.833 8.272 -5.974 1.00 0.00 O ATOM 0 HA GLU A 73 6.203 9.161 -9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.228 7.973 -8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.639 9.674 -8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.250 9.385 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.413 7.672 -6.560 1.00 0.00 H new ATOM 98 N CYS A 74 5.190 7.285 -8.005 1.00 0.00 N ATOM 99 CA CYS A 74 4.427 6.285 -7.267 1.00 0.00 C ATOM 100 C CYS A 74 5.203 5.801 -6.045 1.00 0.00 C ATOM 101 O CYS A 74 6.411 5.577 -6.114 1.00 0.00 O ATOM 102 CB CYS A 74 4.089 5.100 -8.173 1.00 0.00 C ATOM 103 SG CYS A 74 3.011 3.853 -7.396 1.00 0.00 S ATOM 0 H CYS A 74 5.171 7.167 -9.018 1.00 0.00 H new ATOM 0 HA CYS A 74 3.501 6.749 -6.927 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.604 5.473 -9.075 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.016 4.619 -8.485 1.00 0.00 H new ATOM 0 HG CYS A 74 2.849 4.142 -6.139 1.00 0.00 H new ATOM 108 N ARG A 75 4.499 5.642 -4.929 1.00 0.00 N ATOM 109 CA ARG A 75 5.122 5.186 -3.692 1.00 0.00 C ATOM 110 C ARG A 75 4.914 3.687 -3.501 1.00 0.00 C ATOM 111 O ARG A 75 4.968 3.180 -2.380 1.00 0.00 O ATOM 112 CB ARG A 75 4.548 5.948 -2.496 1.00 0.00 C ATOM 113 CG ARG A 75 4.692 7.457 -2.609 1.00 0.00 C ATOM 114 CD ARG A 75 6.113 7.905 -2.308 1.00 0.00 C ATOM 115 NE ARG A 75 6.267 9.353 -2.424 1.00 0.00 N ATOM 116 CZ ARG A 75 5.717 10.220 -1.581 1.00 0.00 C ATOM 117 NH1 ARG A 75 4.981 9.787 -0.566 1.00 0.00 N ATOM 118 NH2 ARG A 75 5.902 11.522 -1.752 1.00 0.00 N ATOM 0 H ARG A 75 3.498 5.822 -4.856 1.00 0.00 H new ATOM 0 HA ARG A 75 6.192 5.382 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.492 5.699 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.047 5.611 -1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.414 7.776 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.002 7.942 -1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.386 7.591 -1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.802 7.411 -2.994 1.00 0.00 H new ATOM 0 HE ARG A 75 6.827 9.718 -3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.836 8.786 -0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.560 10.455 0.080 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.467 11.859 -2.532 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.479 12.187 -1.104 1.00 0.00 H new ATOM 132 N VAL A 76 4.677 2.982 -4.602 1.00 0.00 N ATOM 133 CA VAL A 76 4.462 1.540 -4.556 1.00 0.00 C ATOM 134 C VAL A 76 5.416 0.812 -5.496 1.00 0.00 C ATOM 135 O VAL A 76 5.972 -0.231 -5.150 1.00 0.00 O ATOM 136 CB VAL A 76 3.013 1.176 -4.930 1.00 0.00 C ATOM 137 CG1 VAL A 76 2.835 -0.334 -4.970 1.00 0.00 C ATOM 138 CG2 VAL A 76 2.036 1.811 -3.951 1.00 0.00 C ATOM 0 H VAL A 76 4.629 3.386 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 76 4.655 1.224 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 76 2.803 1.568 -5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.805 -0.572 -5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.509 -0.760 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.063 -0.753 -3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.017 1.544 -4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.244 1.450 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.147 2.895 -3.978 1.00 0.00 H new ATOM 148 N CYS A 77 5.602 1.368 -6.689 1.00 0.00 N ATOM 149 CA CYS A 77 6.489 0.773 -7.681 1.00 0.00 C ATOM 150 C CYS A 77 7.676 1.687 -7.967 1.00 0.00 C ATOM 151 O CYS A 77 8.822 1.241 -8.002 1.00 0.00 O ATOM 152 CB CYS A 77 5.724 0.492 -8.976 1.00 0.00 C ATOM 153 SG CYS A 77 5.047 1.981 -9.778 1.00 0.00 S ATOM 0 H CYS A 77 5.150 2.231 -6.992 1.00 0.00 H new ATOM 0 HA CYS A 77 6.866 -0.167 -7.278 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.389 -0.014 -9.676 1.00 0.00 H new ATOM 0 HB3 CYS A 77 4.906 -0.195 -8.760 1.00 0.00 H new ATOM 0 HG CYS A 77 4.255 2.597 -8.952 1.00 0.00 H new ATOM 158 N GLY A 78 7.393 2.970 -8.171 1.00 0.00 N ATOM 159 CA GLY A 78 8.447 3.927 -8.451 1.00 0.00 C ATOM 160 C GLY A 78 8.141 4.789 -9.660 1.00 0.00 C ATOM 161 O GLY A 78 8.555 5.947 -9.726 1.00 0.00 O ATOM 0 H GLY A 78 6.452 3.364 -8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.594 4.566 -7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.383 3.394 -8.616 1.00 0.00 H new ATOM 165 N ASP A 79 7.417 4.224 -10.619 1.00 0.00 N ATOM 166 CA ASP A 79 7.056 4.949 -11.832 1.00 0.00 C ATOM 167 C ASP A 79 6.304 6.232 -11.496 1.00 0.00 C ATOM 168 O ASP A 79 5.612 6.312 -10.480 1.00 0.00 O ATOM 169 CB ASP A 79 6.202 4.067 -12.744 1.00 0.00 C ATOM 170 CG ASP A 79 5.754 4.792 -13.998 1.00 0.00 C ATOM 171 OD1 ASP A 79 6.505 4.772 -14.995 1.00 0.00 O ATOM 172 OD2 ASP A 79 4.653 5.381 -13.981 1.00 0.00 O ATOM 0 H ASP A 79 7.068 3.266 -10.580 1.00 0.00 H new ATOM 0 HA ASP A 79 7.976 5.215 -12.353 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.771 3.181 -13.024 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.326 3.722 -12.195 1.00 0.00 H new ATOM 177 N LYS A 80 6.445 7.237 -12.354 1.00 0.00 N ATOM 178 CA LYS A 80 5.779 8.518 -12.149 1.00 0.00 C ATOM 179 C LYS A 80 4.388 8.319 -11.556 1.00 0.00 C ATOM 180 O LYS A 80 3.633 7.454 -11.997 1.00 0.00 O ATOM 181 CB LYS A 80 5.677 9.280 -13.472 1.00 0.00 C ATOM 182 CG LYS A 80 4.616 8.731 -14.410 1.00 0.00 C ATOM 183 CD LYS A 80 4.914 9.087 -15.857 1.00 0.00 C ATOM 184 CE LYS A 80 3.682 8.927 -16.735 1.00 0.00 C ATOM 185 NZ LYS A 80 3.357 7.494 -16.979 1.00 0.00 N ATOM 0 H LYS A 80 7.015 7.189 -13.199 1.00 0.00 H new ATOM 0 HA LYS A 80 6.374 9.101 -11.446 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.458 10.327 -13.263 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.644 9.251 -13.974 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.561 7.647 -14.305 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.640 9.128 -14.130 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.272 10.115 -15.914 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.715 8.450 -16.232 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.832 9.416 -16.260 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.848 9.429 -17.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.512 7.427 -17.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.158 7.032 -17.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.174 7.020 -16.072 1.00 0.00 H new ATOM 199 N ALA A 81 4.056 9.128 -10.554 1.00 0.00 N ATOM 200 CA ALA A 81 2.754 9.042 -9.903 1.00 0.00 C ATOM 201 C ALA A 81 1.694 9.801 -10.695 1.00 0.00 C ATOM 202 O ALA A 81 1.897 10.954 -11.076 1.00 0.00 O ATOM 203 CB ALA A 81 2.839 9.579 -8.482 1.00 0.00 C ATOM 0 H ALA A 81 4.670 9.849 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 81 2.461 7.993 -9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.860 9.509 -8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.561 8.992 -7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.157 10.621 -8.505 1.00 0.00 H new ATOM 209 N SER A 82 0.563 9.146 -10.939 1.00 0.00 N ATOM 210 CA SER A 82 -0.527 9.758 -11.690 1.00 0.00 C ATOM 211 C SER A 82 -1.200 10.856 -10.872 1.00 0.00 C ATOM 212 O SER A 82 -1.384 11.976 -11.348 1.00 0.00 O ATOM 213 CB SER A 82 -1.557 8.699 -12.087 1.00 0.00 C ATOM 214 OG SER A 82 -2.370 9.154 -13.156 1.00 0.00 O ATOM 0 H SER A 82 0.378 8.192 -10.628 1.00 0.00 H new ATOM 0 HA SER A 82 -0.109 10.205 -12.592 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.046 7.782 -12.379 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.183 8.456 -11.228 1.00 0.00 H new ATOM 0 HG SER A 82 -3.019 8.459 -13.392 1.00 0.00 H new ATOM 220 N GLY A 83 -1.566 10.527 -9.637 1.00 0.00 N ATOM 221 CA GLY A 83 -2.214 11.495 -8.772 1.00 0.00 C ATOM 222 C GLY A 83 -2.338 11.004 -7.343 1.00 0.00 C ATOM 223 O GLY A 83 -1.893 9.904 -7.016 1.00 0.00 O ATOM 0 H GLY A 83 -1.425 9.607 -9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.647 12.426 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.206 11.720 -9.163 1.00 0.00 H new ATOM 227 N PHE A 84 -2.942 11.823 -6.488 1.00 0.00 N ATOM 228 CA PHE A 84 -3.120 11.468 -5.085 1.00 0.00 C ATOM 229 C PHE A 84 -4.384 10.635 -4.891 1.00 0.00 C ATOM 230 O PHE A 84 -5.478 11.175 -4.724 1.00 0.00 O ATOM 231 CB PHE A 84 -3.190 12.729 -4.223 1.00 0.00 C ATOM 232 CG PHE A 84 -2.831 12.492 -2.784 1.00 0.00 C ATOM 233 CD1 PHE A 84 -1.610 11.932 -2.444 1.00 0.00 C ATOM 234 CD2 PHE A 84 -3.713 12.831 -1.770 1.00 0.00 C ATOM 235 CE1 PHE A 84 -1.277 11.712 -1.121 1.00 0.00 C ATOM 236 CE2 PHE A 84 -3.385 12.613 -0.445 1.00 0.00 C ATOM 237 CZ PHE A 84 -2.165 12.054 -0.120 1.00 0.00 C ATOM 0 H PHE A 84 -3.316 12.737 -6.742 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.262 10.872 -4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.518 13.481 -4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.198 13.139 -4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.910 11.664 -3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.668 13.271 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.323 11.273 -0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.082 12.880 0.335 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.906 11.885 0.915 1.00 0.00 H new ATOM 247 N HIS A 85 -4.226 9.315 -4.915 1.00 0.00 N ATOM 248 CA HIS A 85 -5.353 8.406 -4.742 1.00 0.00 C ATOM 249 C HIS A 85 -5.195 7.581 -3.469 1.00 0.00 C ATOM 250 O HIS A 85 -4.101 7.113 -3.153 1.00 0.00 O ATOM 251 CB HIS A 85 -5.479 7.480 -5.952 1.00 0.00 C ATOM 252 CG HIS A 85 -5.273 8.175 -7.263 1.00 0.00 C ATOM 253 ND1 HIS A 85 -6.288 8.814 -7.944 1.00 0.00 N ATOM 254 CD2 HIS A 85 -4.160 8.331 -8.017 1.00 0.00 C ATOM 255 CE1 HIS A 85 -5.808 9.331 -9.061 1.00 0.00 C ATOM 256 NE2 HIS A 85 -4.518 9.053 -9.129 1.00 0.00 N ATOM 0 H HIS A 85 -3.328 8.851 -5.053 1.00 0.00 H new ATOM 0 HA HIS A 85 -6.260 9.004 -4.656 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -4.751 6.674 -5.859 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -6.467 7.020 -5.946 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.173 7.957 -7.787 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.374 9.887 -9.794 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -3.891 9.330 -9.884 1.00 0.00 H new ATOM 264 N TYR A 86 -6.294 7.407 -2.743 1.00 0.00 N ATOM 265 CA TYR A 86 -6.276 6.640 -1.502 1.00 0.00 C ATOM 266 C TYR A 86 -5.361 7.294 -0.471 1.00 0.00 C ATOM 267 O TYR A 86 -4.841 6.629 0.424 1.00 0.00 O ATOM 268 CB TYR A 86 -5.818 5.206 -1.771 1.00 0.00 C ATOM 269 CG TYR A 86 -6.484 4.572 -2.971 1.00 0.00 C ATOM 270 CD1 TYR A 86 -7.691 3.894 -2.843 1.00 0.00 C ATOM 271 CD2 TYR A 86 -5.908 4.650 -4.232 1.00 0.00 C ATOM 272 CE1 TYR A 86 -8.303 3.313 -3.936 1.00 0.00 C ATOM 273 CE2 TYR A 86 -6.514 4.073 -5.332 1.00 0.00 C ATOM 274 CZ TYR A 86 -7.711 3.405 -5.178 1.00 0.00 C ATOM 275 OH TYR A 86 -8.317 2.828 -6.270 1.00 0.00 O ATOM 0 H TYR A 86 -7.208 7.786 -2.992 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.289 6.621 -1.101 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.738 5.200 -1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.021 4.597 -0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.158 3.820 -1.872 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.970 5.171 -4.355 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -9.240 2.789 -3.819 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.053 4.145 -6.306 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.771 2.985 -7.068 1.00 0.00 H new ATOM 285 N GLY A 87 -5.169 8.603 -0.605 1.00 0.00 N ATOM 286 CA GLY A 87 -4.318 9.326 0.322 1.00 0.00 C ATOM 287 C GLY A 87 -2.848 9.016 0.121 1.00 0.00 C ATOM 288 O GLY A 87 -2.012 9.367 0.954 1.00 0.00 O ATOM 0 H GLY A 87 -5.587 9.175 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.480 10.397 0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.603 9.075 1.344 1.00 0.00 H new ATOM 292 N VAL A 88 -2.530 8.353 -0.986 1.00 0.00 N ATOM 293 CA VAL A 88 -1.151 7.994 -1.294 1.00 0.00 C ATOM 294 C VAL A 88 -0.832 8.245 -2.763 1.00 0.00 C ATOM 295 O VAL A 88 -1.691 8.091 -3.632 1.00 0.00 O ATOM 296 CB VAL A 88 -0.869 6.516 -0.964 1.00 0.00 C ATOM 297 CG1 VAL A 88 -1.664 5.602 -1.885 1.00 0.00 C ATOM 298 CG2 VAL A 88 0.620 6.223 -1.065 1.00 0.00 C ATOM 0 H VAL A 88 -3.210 8.053 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.514 8.625 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.186 6.324 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.452 4.562 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.729 5.795 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.381 5.793 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.801 5.174 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.964 6.431 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.163 6.853 -0.361 1.00 0.00 H new ATOM 308 N HIS A 89 0.410 8.634 -3.035 1.00 0.00 N ATOM 309 CA HIS A 89 0.844 8.907 -4.401 1.00 0.00 C ATOM 310 C HIS A 89 1.113 7.608 -5.155 1.00 0.00 C ATOM 311 O HIS A 89 2.217 7.067 -5.104 1.00 0.00 O ATOM 312 CB HIS A 89 2.101 9.776 -4.395 1.00 0.00 C ATOM 313 CG HIS A 89 1.828 11.222 -4.116 1.00 0.00 C ATOM 314 ND1 HIS A 89 1.881 11.767 -2.850 1.00 0.00 N ATOM 315 CD2 HIS A 89 1.500 12.238 -4.948 1.00 0.00 C ATOM 316 CE1 HIS A 89 1.595 13.055 -2.916 1.00 0.00 C ATOM 317 NE2 HIS A 89 1.360 13.367 -4.178 1.00 0.00 N ATOM 0 H HIS A 89 1.133 8.767 -2.328 1.00 0.00 H new ATOM 0 HA HIS A 89 0.043 9.443 -4.910 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.793 9.394 -3.645 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.598 9.688 -5.361 1.00 0.00 H new ATOM 0 HD2 HIS A 89 1.372 12.173 -6.018 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.559 13.737 -2.080 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.115 14.295 -4.524 1.00 0.00 H new ATOM 325 N ALA A 90 0.096 7.113 -5.853 1.00 0.00 N ATOM 326 CA ALA A 90 0.223 5.879 -6.618 1.00 0.00 C ATOM 327 C ALA A 90 0.012 6.131 -8.107 1.00 0.00 C ATOM 328 O ALA A 90 -0.475 7.190 -8.504 1.00 0.00 O ATOM 329 CB ALA A 90 -0.766 4.839 -6.112 1.00 0.00 C ATOM 0 H ALA A 90 -0.825 7.548 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 90 1.235 5.499 -6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.660 3.923 -6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.566 4.628 -5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.782 5.220 -6.219 1.00 0.00 H new ATOM 335 N CYS A 91 0.382 5.153 -8.926 1.00 0.00 N ATOM 336 CA CYS A 91 0.235 5.270 -10.372 1.00 0.00 C ATOM 337 C CYS A 91 -1.009 4.527 -10.854 1.00 0.00 C ATOM 338 O CYS A 91 -1.658 3.821 -10.084 1.00 0.00 O ATOM 339 CB CYS A 91 1.476 4.720 -11.078 1.00 0.00 C ATOM 340 SG CYS A 91 1.701 2.922 -10.893 1.00 0.00 S ATOM 0 H CYS A 91 0.786 4.270 -8.613 1.00 0.00 H new ATOM 0 HA CYS A 91 0.124 6.326 -10.617 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.413 4.960 -12.139 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.358 5.228 -10.688 1.00 0.00 H new ATOM 0 HG CYS A 91 2.914 2.675 -10.496 1.00 0.00 H new ATOM 345 N GLU A 92 -1.332 4.693 -12.132 1.00 0.00 N ATOM 346 CA GLU A 92 -2.497 4.039 -12.716 1.00 0.00 C ATOM 347 C GLU A 92 -2.381 2.521 -12.607 1.00 0.00 C ATOM 348 O GLU A 92 -3.380 1.806 -12.660 1.00 0.00 O ATOM 349 CB GLU A 92 -2.657 4.445 -14.182 1.00 0.00 C ATOM 350 CG GLU A 92 -1.385 4.288 -14.999 1.00 0.00 C ATOM 351 CD GLU A 92 -1.582 4.649 -16.459 1.00 0.00 C ATOM 352 OE1 GLU A 92 -1.949 5.809 -16.738 1.00 0.00 O ATOM 353 OE2 GLU A 92 -1.368 3.772 -17.322 1.00 0.00 O ATOM 0 H GLU A 92 -0.804 5.274 -12.783 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.378 4.360 -12.160 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.445 3.843 -14.633 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.983 5.484 -14.229 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.604 4.919 -14.574 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.036 3.258 -14.927 1.00 0.00 H new ATOM 360 N GLY A 93 -1.152 2.037 -12.454 1.00 0.00 N ATOM 361 CA GLY A 93 -0.926 0.608 -12.341 1.00 0.00 C ATOM 362 C GLY A 93 -1.262 0.076 -10.962 1.00 0.00 C ATOM 363 O GLY A 93 -2.271 -0.607 -10.781 1.00 0.00 O ATOM 0 H GLY A 93 -0.309 2.609 -12.406 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.529 0.088 -13.085 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.118 0.389 -12.567 1.00 0.00 H new ATOM 367 N CYS A 94 -0.415 0.386 -9.987 1.00 0.00 N ATOM 368 CA CYS A 94 -0.625 -0.067 -8.617 1.00 0.00 C ATOM 369 C CYS A 94 -2.055 0.212 -8.165 1.00 0.00 C ATOM 370 O CYS A 94 -2.551 -0.403 -7.221 1.00 0.00 O ATOM 371 CB CYS A 94 0.364 0.621 -7.673 1.00 0.00 C ATOM 372 SG CYS A 94 2.113 0.377 -8.121 1.00 0.00 S ATOM 0 H CYS A 94 0.424 0.950 -10.120 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.457 -1.144 -8.587 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.150 1.690 -7.656 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.204 0.248 -6.661 1.00 0.00 H new ATOM 0 HG CYS A 94 2.751 1.504 -8.010 1.00 0.00 H new ATOM 377 N LYS A 95 -2.714 1.144 -8.846 1.00 0.00 N ATOM 378 CA LYS A 95 -4.088 1.505 -8.517 1.00 0.00 C ATOM 379 C LYS A 95 -5.050 0.383 -8.894 1.00 0.00 C ATOM 380 O LYS A 95 -5.763 -0.148 -8.044 1.00 0.00 O ATOM 381 CB LYS A 95 -4.484 2.795 -9.238 1.00 0.00 C ATOM 382 CG LYS A 95 -4.255 4.049 -8.412 1.00 0.00 C ATOM 383 CD LYS A 95 -5.232 5.151 -8.787 1.00 0.00 C ATOM 384 CE LYS A 95 -4.837 5.824 -10.093 1.00 0.00 C ATOM 385 NZ LYS A 95 -5.451 5.153 -11.271 1.00 0.00 N ATOM 0 H LYS A 95 -2.318 1.663 -9.630 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.148 1.665 -7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.916 2.872 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.537 2.739 -9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.361 3.813 -7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.234 4.401 -8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.235 4.734 -8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.268 5.894 -7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.144 6.870 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.752 5.813 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.078 5.576 -12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.221 4.139 -11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.483 5.274 -11.241 1.00 0.00 H new ATOM 399 N GLY A 96 -5.064 0.027 -10.175 1.00 0.00 N ATOM 400 CA GLY A 96 -5.941 -1.031 -10.642 1.00 0.00 C ATOM 401 C GLY A 96 -5.799 -2.303 -9.830 1.00 0.00 C ATOM 402 O GLY A 96 -6.782 -2.996 -9.571 1.00 0.00 O ATOM 0 H GLY A 96 -4.484 0.452 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.975 -0.688 -10.597 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.722 -1.245 -11.688 1.00 0.00 H new ATOM 406 N PHE A 97 -4.570 -2.611 -9.428 1.00 0.00 N ATOM 407 CA PHE A 97 -4.302 -3.810 -8.643 1.00 0.00 C ATOM 408 C PHE A 97 -5.054 -3.772 -7.316 1.00 0.00 C ATOM 409 O PHE A 97 -5.901 -4.623 -7.044 1.00 0.00 O ATOM 410 CB PHE A 97 -2.800 -3.952 -8.386 1.00 0.00 C ATOM 411 CG PHE A 97 -2.458 -5.048 -7.418 1.00 0.00 C ATOM 412 CD1 PHE A 97 -2.510 -6.377 -7.809 1.00 0.00 C ATOM 413 CD2 PHE A 97 -2.083 -4.751 -6.118 1.00 0.00 C ATOM 414 CE1 PHE A 97 -2.196 -7.388 -6.920 1.00 0.00 C ATOM 415 CE2 PHE A 97 -1.768 -5.758 -5.224 1.00 0.00 C ATOM 416 CZ PHE A 97 -1.824 -7.078 -5.627 1.00 0.00 C ATOM 0 H PHE A 97 -3.745 -2.047 -9.633 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.650 -4.671 -9.213 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.294 -4.143 -9.332 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.414 -3.007 -8.004 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.799 -6.625 -8.820 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.036 -3.720 -5.799 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.242 -8.420 -7.237 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.479 -5.513 -4.213 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.577 -7.867 -4.932 1.00 0.00 H new ATOM 426 N PHE A 98 -4.738 -2.778 -6.492 1.00 0.00 N ATOM 427 CA PHE A 98 -5.383 -2.628 -5.193 1.00 0.00 C ATOM 428 C PHE A 98 -6.900 -2.720 -5.324 1.00 0.00 C ATOM 429 O PHE A 98 -7.516 -3.682 -4.865 1.00 0.00 O ATOM 430 CB PHE A 98 -4.995 -1.290 -4.559 1.00 0.00 C ATOM 431 CG PHE A 98 -5.752 -0.983 -3.298 1.00 0.00 C ATOM 432 CD1 PHE A 98 -5.536 -1.722 -2.147 1.00 0.00 C ATOM 433 CD2 PHE A 98 -6.680 0.046 -3.265 1.00 0.00 C ATOM 434 CE1 PHE A 98 -6.231 -1.441 -0.985 1.00 0.00 C ATOM 435 CE2 PHE A 98 -7.377 0.332 -2.107 1.00 0.00 C ATOM 436 CZ PHE A 98 -7.153 -0.413 -0.966 1.00 0.00 C ATOM 0 H PHE A 98 -4.039 -2.065 -6.701 1.00 0.00 H new ATOM 0 HA PHE A 98 -5.042 -3.440 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.927 -1.297 -4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -5.167 -0.491 -5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.816 -2.527 -2.157 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.860 0.631 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.053 -2.025 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -8.096 1.137 -2.094 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.698 -0.192 -0.060 1.00 0.00 H new ATOM 446 N ARG A 99 -7.496 -1.713 -5.954 1.00 0.00 N ATOM 447 CA ARG A 99 -8.941 -1.679 -6.145 1.00 0.00 C ATOM 448 C ARG A 99 -9.477 -3.065 -6.491 1.00 0.00 C ATOM 449 O ARG A 99 -10.446 -3.534 -5.894 1.00 0.00 O ATOM 450 CB ARG A 99 -9.308 -0.688 -7.251 1.00 0.00 C ATOM 451 CG ARG A 99 -10.787 -0.683 -7.598 1.00 0.00 C ATOM 452 CD ARG A 99 -11.129 0.441 -8.565 1.00 0.00 C ATOM 453 NE ARG A 99 -10.908 0.052 -9.955 1.00 0.00 N ATOM 454 CZ ARG A 99 -11.395 0.724 -10.992 1.00 0.00 C ATOM 455 NH1 ARG A 99 -12.126 1.813 -10.797 1.00 0.00 N ATOM 456 NH2 ARG A 99 -11.150 0.308 -12.228 1.00 0.00 N ATOM 0 H ARG A 99 -7.000 -0.910 -6.341 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.398 -1.355 -5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.013 0.315 -6.941 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.734 -0.927 -8.146 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.061 -1.641 -8.040 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.375 -0.572 -6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.171 0.730 -8.431 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.523 1.316 -8.333 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.349 -0.781 -10.140 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.316 2.137 -9.849 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.499 2.327 -11.595 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.587 -0.529 -12.382 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.524 0.825 -13.024 1.00 0.00 H new ATOM 470 N ARG A 100 -8.839 -3.716 -7.458 1.00 0.00 N ATOM 471 CA ARG A 100 -9.252 -5.047 -7.885 1.00 0.00 C ATOM 472 C ARG A 100 -9.223 -6.026 -6.715 1.00 0.00 C ATOM 473 O ARG A 100 -10.237 -6.639 -6.379 1.00 0.00 O ATOM 474 CB ARG A 100 -8.343 -5.551 -9.008 1.00 0.00 C ATOM 475 CG ARG A 100 -8.388 -7.058 -9.198 1.00 0.00 C ATOM 476 CD ARG A 100 -7.774 -7.471 -10.526 1.00 0.00 C ATOM 477 NE ARG A 100 -6.333 -7.686 -10.420 1.00 0.00 N ATOM 478 CZ ARG A 100 -5.503 -7.627 -11.455 1.00 0.00 C ATOM 479 NH1 ARG A 100 -5.968 -7.360 -12.668 1.00 0.00 N ATOM 480 NH2 ARG A 100 -4.204 -7.835 -11.278 1.00 0.00 N ATOM 0 H ARG A 100 -8.034 -3.343 -7.961 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.275 -4.981 -8.257 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.630 -5.067 -9.941 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.317 -5.251 -8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.854 -7.545 -8.382 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.422 -7.401 -9.152 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.252 -8.385 -10.877 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.972 -6.701 -11.272 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.943 -7.893 -9.501 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.966 -7.199 -12.808 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.328 -7.315 -13.461 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.843 -8.040 -10.347 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.567 -7.790 -12.073 1.00 0.00 H new ATOM 494 N THR A 101 -8.054 -6.170 -6.098 1.00 0.00 N ATOM 495 CA THR A 101 -7.893 -7.075 -4.968 1.00 0.00 C ATOM 496 C THR A 101 -8.970 -6.838 -3.916 1.00 0.00 C ATOM 497 O THR A 101 -9.248 -7.710 -3.092 1.00 0.00 O ATOM 498 CB THR A 101 -6.508 -6.915 -4.313 1.00 0.00 C ATOM 499 OG1 THR A 101 -5.479 -7.088 -5.294 1.00 0.00 O ATOM 500 CG2 THR A 101 -6.320 -7.923 -3.190 1.00 0.00 C ATOM 0 H THR A 101 -7.205 -5.671 -6.363 1.00 0.00 H new ATOM 0 HA THR A 101 -7.987 -8.088 -5.359 1.00 0.00 H new ATOM 0 HB THR A 101 -6.444 -5.911 -3.893 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.413 -6.280 -5.845 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.335 -7.790 -2.743 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.087 -7.769 -2.431 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.404 -8.933 -3.590 1.00 0.00 H new ATOM 508 N ILE A 102 -9.573 -5.655 -3.949 1.00 0.00 N ATOM 509 CA ILE A 102 -10.622 -5.305 -2.998 1.00 0.00 C ATOM 510 C ILE A 102 -11.988 -5.770 -3.491 1.00 0.00 C ATOM 511 O ILE A 102 -12.632 -6.612 -2.865 1.00 0.00 O ATOM 512 CB ILE A 102 -10.669 -3.787 -2.746 1.00 0.00 C ATOM 513 CG1 ILE A 102 -9.342 -3.304 -2.155 1.00 0.00 C ATOM 514 CG2 ILE A 102 -11.824 -3.440 -1.819 1.00 0.00 C ATOM 515 CD1 ILE A 102 -9.030 -3.902 -0.801 1.00 0.00 C ATOM 0 H ILE A 102 -9.354 -4.922 -4.624 1.00 0.00 H new ATOM 0 HA ILE A 102 -10.384 -5.813 -2.064 1.00 0.00 H new ATOM 0 HB ILE A 102 -10.827 -3.281 -3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.535 -3.549 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.367 -2.218 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.844 -2.363 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -12.763 -3.754 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.693 -3.954 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -8.076 -3.515 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.817 -3.635 -0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.972 -4.987 -0.887 1.00 0.00 H new ATOM 527 N ARG A 103 -12.423 -5.217 -4.619 1.00 0.00 N ATOM 528 CA ARG A 103 -13.713 -5.575 -5.197 1.00 0.00 C ATOM 529 C ARG A 103 -13.760 -7.061 -5.541 1.00 0.00 C ATOM 530 O ARG A 103 -14.836 -7.644 -5.671 1.00 0.00 O ATOM 531 CB ARG A 103 -13.983 -4.741 -6.450 1.00 0.00 C ATOM 532 CG ARG A 103 -12.966 -4.960 -7.558 1.00 0.00 C ATOM 533 CD ARG A 103 -13.401 -6.070 -8.502 1.00 0.00 C ATOM 534 NE ARG A 103 -12.656 -6.043 -9.758 1.00 0.00 N ATOM 535 CZ ARG A 103 -12.920 -5.201 -10.751 1.00 0.00 C ATOM 536 NH1 ARG A 103 -13.905 -4.321 -10.635 1.00 0.00 N ATOM 537 NH2 ARG A 103 -12.198 -5.238 -11.864 1.00 0.00 N ATOM 0 H ARG A 103 -11.901 -4.520 -5.150 1.00 0.00 H new ATOM 0 HA ARG A 103 -14.486 -5.366 -4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.977 -4.980 -6.828 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.991 -3.685 -6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -12.833 -4.035 -8.119 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.999 -5.210 -7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -13.258 -7.035 -8.017 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -14.466 -5.972 -8.710 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.891 -6.707 -9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -14.463 -4.289 -9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.105 -3.676 -11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.439 -5.913 -11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.402 -4.591 -12.626 1.00 0.00 H new ATOM 551 N MET A 104 -12.587 -7.667 -5.689 1.00 0.00 N ATOM 552 CA MET A 104 -12.495 -9.084 -6.018 1.00 0.00 C ATOM 553 C MET A 104 -12.295 -9.923 -4.759 1.00 0.00 C ATOM 554 O MET A 104 -12.377 -11.150 -4.799 1.00 0.00 O ATOM 555 CB MET A 104 -11.345 -9.329 -6.996 1.00 0.00 C ATOM 556 CG MET A 104 -11.596 -8.762 -8.384 1.00 0.00 C ATOM 557 SD MET A 104 -10.672 -9.629 -9.667 1.00 0.00 S ATOM 558 CE MET A 104 -11.475 -11.229 -9.639 1.00 0.00 C ATOM 0 H MET A 104 -11.687 -7.199 -5.586 1.00 0.00 H new ATOM 0 HA MET A 104 -13.432 -9.384 -6.488 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.434 -8.887 -6.591 1.00 0.00 H new ATOM 0 HB3 MET A 104 -11.170 -10.402 -7.077 1.00 0.00 H new ATOM 0 HG2 MET A 104 -12.661 -8.819 -8.608 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.323 -7.707 -8.396 1.00 0.00 H new ATOM 0 HE1 MET A 104 -10.751 -11.995 -9.362 1.00 0.00 H new ATOM 0 HE2 MET A 104 -12.286 -11.216 -8.911 1.00 0.00 H new ATOM 0 HE3 MET A 104 -11.878 -11.451 -10.627 1.00 0.00 H new ATOM 568 N LYS A 105 -12.031 -9.252 -3.643 1.00 0.00 N ATOM 569 CA LYS A 105 -11.820 -9.935 -2.372 1.00 0.00 C ATOM 570 C LYS A 105 -10.780 -11.042 -2.515 1.00 0.00 C ATOM 571 O LYS A 105 -10.948 -12.138 -1.978 1.00 0.00 O ATOM 572 CB LYS A 105 -13.137 -10.520 -1.859 1.00 0.00 C ATOM 573 CG LYS A 105 -14.165 -9.467 -1.483 1.00 0.00 C ATOM 574 CD LYS A 105 -14.969 -9.017 -2.692 1.00 0.00 C ATOM 575 CE LYS A 105 -16.282 -8.370 -2.278 1.00 0.00 C ATOM 576 NZ LYS A 105 -17.371 -9.375 -2.128 1.00 0.00 N ATOM 0 H LYS A 105 -11.958 -8.236 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.450 -9.204 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.559 -11.170 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.933 -11.144 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.838 -9.868 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -13.662 -8.608 -1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.382 -8.309 -3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.171 -9.873 -3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.145 -7.840 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.572 -7.628 -3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.249 -8.895 -1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.520 -9.864 -3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.105 -10.069 -1.400 1.00 0.00 H new ATOM 590 N LEU A 106 -9.707 -10.749 -3.240 1.00 0.00 N ATOM 591 CA LEU A 106 -8.639 -11.720 -3.452 1.00 0.00 C ATOM 592 C LEU A 106 -7.714 -11.785 -2.241 1.00 0.00 C ATOM 593 O LEU A 106 -7.495 -10.783 -1.561 1.00 0.00 O ATOM 594 CB LEU A 106 -7.835 -11.359 -4.703 1.00 0.00 C ATOM 595 CG LEU A 106 -8.630 -11.259 -6.006 1.00 0.00 C ATOM 596 CD1 LEU A 106 -7.807 -10.569 -7.082 1.00 0.00 C ATOM 597 CD2 LEU A 106 -9.068 -12.641 -6.470 1.00 0.00 C ATOM 0 H LEU A 106 -9.553 -9.847 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.095 -12.700 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.339 -10.404 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.052 -12.105 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.522 -10.660 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.389 -10.507 -8.002 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.544 -9.564 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.897 -11.140 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.632 -12.551 -7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.189 -13.264 -6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.696 -13.099 -5.706 1.00 0.00 H new ATOM 609 N GLU A 107 -7.172 -12.971 -1.980 1.00 0.00 N ATOM 610 CA GLU A 107 -6.269 -13.165 -0.852 1.00 0.00 C ATOM 611 C GLU A 107 -4.992 -13.875 -1.293 1.00 0.00 C ATOM 612 O GLU A 107 -4.940 -14.471 -2.369 1.00 0.00 O ATOM 613 CB GLU A 107 -6.960 -13.972 0.250 1.00 0.00 C ATOM 614 CG GLU A 107 -7.482 -15.320 -0.219 1.00 0.00 C ATOM 615 CD GLU A 107 -8.684 -15.789 0.577 1.00 0.00 C ATOM 616 OE1 GLU A 107 -8.495 -16.229 1.730 1.00 0.00 O ATOM 617 OE2 GLU A 107 -9.812 -15.717 0.047 1.00 0.00 O ATOM 0 H GLU A 107 -7.343 -13.810 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 107 -6.002 -12.183 -0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -6.258 -14.129 1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.790 -13.389 0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.752 -15.254 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.687 -16.061 -0.140 1.00 0.00 H new ATOM 624 N TYR A 108 -3.964 -13.806 -0.454 1.00 0.00 N ATOM 625 CA TYR A 108 -2.686 -14.439 -0.757 1.00 0.00 C ATOM 626 C TYR A 108 -1.974 -14.869 0.522 1.00 0.00 C ATOM 627 O TYR A 108 -2.474 -14.653 1.625 1.00 0.00 O ATOM 628 CB TYR A 108 -1.797 -13.484 -1.554 1.00 0.00 C ATOM 629 CG TYR A 108 -2.488 -12.865 -2.748 1.00 0.00 C ATOM 630 CD1 TYR A 108 -2.845 -13.637 -3.846 1.00 0.00 C ATOM 631 CD2 TYR A 108 -2.787 -11.508 -2.776 1.00 0.00 C ATOM 632 CE1 TYR A 108 -3.476 -13.076 -4.939 1.00 0.00 C ATOM 633 CE2 TYR A 108 -3.420 -10.939 -3.864 1.00 0.00 C ATOM 634 CZ TYR A 108 -3.762 -11.726 -4.943 1.00 0.00 C ATOM 635 OH TYR A 108 -4.392 -11.164 -6.029 1.00 0.00 O ATOM 0 H TYR A 108 -3.991 -13.318 0.441 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.882 -15.327 -1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.449 -12.689 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.914 -14.024 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.625 -14.694 -3.845 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.520 -10.888 -1.933 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.744 -13.690 -5.786 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.646 -9.883 -3.869 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.521 -10.205 -5.872 1.00 0.00 H new ATOM 645 N GLU A 109 -0.802 -15.477 0.363 1.00 0.00 N ATOM 646 CA GLU A 109 -0.021 -15.937 1.504 1.00 0.00 C ATOM 647 C GLU A 109 0.861 -14.816 2.048 1.00 0.00 C ATOM 648 O GLU A 109 1.450 -14.049 1.286 1.00 0.00 O ATOM 649 CB GLU A 109 0.845 -17.135 1.108 1.00 0.00 C ATOM 650 CG GLU A 109 1.498 -17.832 2.291 1.00 0.00 C ATOM 651 CD GLU A 109 2.622 -18.759 1.873 1.00 0.00 C ATOM 652 OE1 GLU A 109 2.426 -19.539 0.918 1.00 0.00 O ATOM 653 OE2 GLU A 109 3.700 -18.704 2.502 1.00 0.00 O ATOM 0 H GLU A 109 -0.374 -15.662 -0.544 1.00 0.00 H new ATOM 0 HA GLU A 109 -0.715 -16.242 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.230 -17.854 0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.622 -16.800 0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.887 -17.082 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.744 -18.403 2.833 1.00 0.00 H new ATOM 660 N LYS A 110 0.945 -14.726 3.371 1.00 0.00 N ATOM 661 CA LYS A 110 1.754 -13.701 4.018 1.00 0.00 C ATOM 662 C LYS A 110 3.207 -13.785 3.562 1.00 0.00 C ATOM 663 O LYS A 110 3.736 -14.874 3.336 1.00 0.00 O ATOM 664 CB LYS A 110 1.677 -13.847 5.540 1.00 0.00 C ATOM 665 CG LYS A 110 2.472 -12.794 6.293 1.00 0.00 C ATOM 666 CD LYS A 110 2.013 -12.675 7.736 1.00 0.00 C ATOM 667 CE LYS A 110 2.518 -13.836 8.579 1.00 0.00 C ATOM 668 NZ LYS A 110 2.274 -13.614 10.032 1.00 0.00 N ATOM 0 H LYS A 110 0.462 -15.351 4.016 1.00 0.00 H new ATOM 0 HA LYS A 110 1.358 -12.727 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.633 -13.792 5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 110 2.042 -14.835 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.531 -13.049 6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.364 -11.830 5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.372 -11.736 8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.924 -12.645 7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 110 2.024 -14.755 8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.586 -13.973 8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.632 -14.427 10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.766 -12.751 10.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.253 -13.509 10.201 1.00 0.00 H new ATOM 682 N CYS A 111 3.849 -12.628 3.429 1.00 0.00 N ATOM 683 CA CYS A 111 5.241 -12.571 3.001 1.00 0.00 C ATOM 684 C CYS A 111 6.052 -11.653 3.910 1.00 0.00 C ATOM 685 O CYS A 111 5.908 -10.432 3.863 1.00 0.00 O ATOM 686 CB CYS A 111 5.331 -12.083 1.553 1.00 0.00 C ATOM 687 SG CYS A 111 6.936 -12.412 0.756 1.00 0.00 S ATOM 0 H CYS A 111 3.427 -11.718 3.612 1.00 0.00 H new ATOM 0 HA CYS A 111 5.657 -13.576 3.065 1.00 0.00 H new ATOM 0 HB2 CYS A 111 4.543 -12.561 0.970 1.00 0.00 H new ATOM 0 HB3 CYS A 111 5.139 -11.010 1.530 1.00 0.00 H new ATOM 0 HG CYS A 111 7.217 -11.447 -0.069 1.00 0.00 H new ATOM 692 N GLU A 112 6.905 -12.250 4.736 1.00 0.00 N ATOM 693 CA GLU A 112 7.739 -11.486 5.657 1.00 0.00 C ATOM 694 C GLU A 112 8.955 -10.909 4.938 1.00 0.00 C ATOM 695 O GLU A 112 9.397 -9.799 5.237 1.00 0.00 O ATOM 696 CB GLU A 112 8.193 -12.369 6.821 1.00 0.00 C ATOM 697 CG GLU A 112 7.044 -12.944 7.633 1.00 0.00 C ATOM 698 CD GLU A 112 6.634 -12.044 8.782 1.00 0.00 C ATOM 699 OE1 GLU A 112 6.292 -10.871 8.523 1.00 0.00 O ATOM 700 OE2 GLU A 112 6.656 -12.511 9.940 1.00 0.00 O ATOM 0 H GLU A 112 7.037 -13.260 4.787 1.00 0.00 H new ATOM 0 HA GLU A 112 7.143 -10.661 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.797 -13.188 6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.836 -11.785 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.187 -13.105 6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.333 -13.919 8.025 1.00 0.00 H new ATOM 707 N ARG A 113 9.490 -11.669 3.989 1.00 0.00 N ATOM 708 CA ARG A 113 10.656 -11.235 3.228 1.00 0.00 C ATOM 709 C ARG A 113 10.563 -9.749 2.893 1.00 0.00 C ATOM 710 O ARG A 113 11.580 -9.072 2.739 1.00 0.00 O ATOM 711 CB ARG A 113 10.786 -12.052 1.942 1.00 0.00 C ATOM 712 CG ARG A 113 11.106 -13.518 2.181 1.00 0.00 C ATOM 713 CD ARG A 113 11.290 -14.269 0.872 1.00 0.00 C ATOM 714 NE ARG A 113 12.396 -13.731 0.084 1.00 0.00 N ATOM 715 CZ ARG A 113 12.919 -14.352 -0.968 1.00 0.00 C ATOM 716 NH1 ARG A 113 12.440 -15.526 -1.355 1.00 0.00 N ATOM 717 NH2 ARG A 113 13.923 -13.798 -1.635 1.00 0.00 N ATOM 0 H ARG A 113 9.135 -12.589 3.728 1.00 0.00 H new ATOM 0 HA ARG A 113 11.541 -11.397 3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 113 9.855 -11.979 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.568 -11.615 1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.013 -13.601 2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.302 -13.978 2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 113 11.473 -15.323 1.081 1.00 0.00 H new ATOM 0 HD3 ARG A 113 10.370 -14.214 0.290 1.00 0.00 H new ATOM 0 HE ARG A 113 12.788 -12.830 0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 113 11.668 -15.955 -0.845 1.00 0.00 H new ATOM 0 HH12 ARG A 113 12.844 -16.000 -2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.294 -12.895 -1.340 1.00 0.00 H new ATOM 0 HH22 ARG A 113 14.324 -14.275 -2.442 1.00 0.00 H new ATOM 731 N SER A 114 9.337 -9.249 2.780 1.00 0.00 N ATOM 732 CA SER A 114 9.111 -7.844 2.459 1.00 0.00 C ATOM 733 C SER A 114 9.700 -7.498 1.095 1.00 0.00 C ATOM 734 O SER A 114 10.344 -6.462 0.929 1.00 0.00 O ATOM 735 CB SER A 114 9.725 -6.947 3.535 1.00 0.00 C ATOM 736 OG SER A 114 9.228 -5.624 3.441 1.00 0.00 O ATOM 0 H SER A 114 8.485 -9.795 2.906 1.00 0.00 H new ATOM 0 HA SER A 114 8.035 -7.673 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.502 -7.353 4.522 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.810 -6.939 3.431 1.00 0.00 H new ATOM 0 HG SER A 114 9.447 -5.254 2.560 1.00 0.00 H new ATOM 742 N CYS A 115 9.474 -8.373 0.120 1.00 0.00 N ATOM 743 CA CYS A 115 9.982 -8.162 -1.230 1.00 0.00 C ATOM 744 C CYS A 115 9.980 -6.678 -1.586 1.00 0.00 C ATOM 745 O CYS A 115 8.991 -5.977 -1.371 1.00 0.00 O ATOM 746 CB CYS A 115 9.140 -8.942 -2.241 1.00 0.00 C ATOM 747 SG CYS A 115 8.940 -10.707 -1.839 1.00 0.00 S ATOM 0 H CYS A 115 8.942 -9.235 0.240 1.00 0.00 H new ATOM 0 HA CYS A 115 11.009 -8.525 -1.266 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.154 -8.482 -2.308 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.600 -8.855 -3.225 1.00 0.00 H new ATOM 0 HG CYS A 115 7.684 -11.032 -1.924 1.00 0.00 H new ATOM 752 N LYS A 116 11.095 -6.205 -2.133 1.00 0.00 N ATOM 753 CA LYS A 116 11.224 -4.806 -2.521 1.00 0.00 C ATOM 754 C LYS A 116 10.659 -4.575 -3.919 1.00 0.00 C ATOM 755 O LYS A 116 11.384 -4.648 -4.911 1.00 0.00 O ATOM 756 CB LYS A 116 12.692 -4.375 -2.475 1.00 0.00 C ATOM 757 CG LYS A 116 13.583 -5.151 -3.430 1.00 0.00 C ATOM 758 CD LYS A 116 15.023 -5.182 -2.947 1.00 0.00 C ATOM 759 CE LYS A 116 15.958 -5.727 -4.016 1.00 0.00 C ATOM 760 NZ LYS A 116 16.094 -7.208 -3.931 1.00 0.00 N ATOM 0 H LYS A 116 11.923 -6.771 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 116 10.653 -4.205 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.758 -3.313 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.067 -4.499 -1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.210 -6.170 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 116 13.540 -4.697 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 116 15.336 -4.176 -2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.094 -5.799 -2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 116 15.582 -5.453 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.940 -5.265 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 16.739 -7.541 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 16.477 -7.469 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 15.161 -7.650 -4.058 1.00 0.00 H new ATOM 774 N ILE A 117 9.362 -4.295 -3.989 1.00 0.00 N ATOM 775 CA ILE A 117 8.701 -4.051 -5.265 1.00 0.00 C ATOM 776 C ILE A 117 9.206 -2.764 -5.908 1.00 0.00 C ATOM 777 O ILE A 117 8.939 -1.668 -5.417 1.00 0.00 O ATOM 778 CB ILE A 117 7.172 -3.965 -5.100 1.00 0.00 C ATOM 779 CG1 ILE A 117 6.635 -5.238 -4.444 1.00 0.00 C ATOM 780 CG2 ILE A 117 6.506 -3.736 -6.449 1.00 0.00 C ATOM 781 CD1 ILE A 117 5.227 -5.590 -4.870 1.00 0.00 C ATOM 0 H ILE A 117 8.748 -4.231 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 117 8.941 -4.895 -5.911 1.00 0.00 H new ATOM 0 HB ILE A 117 6.938 -3.120 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 117 7.298 -6.069 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 117 6.659 -5.117 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 117 5.426 -3.677 -6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 117 6.870 -2.803 -6.881 1.00 0.00 H new ATOM 0 HG23 ILE A 117 6.745 -4.563 -7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 117 4.912 -6.503 -4.366 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.552 -4.777 -4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 117 5.201 -5.744 -5.949 1.00 0.00 H new ATOM 793 N GLN A 118 9.935 -2.906 -7.010 1.00 0.00 N ATOM 794 CA GLN A 118 10.476 -1.753 -7.721 1.00 0.00 C ATOM 795 C GLN A 118 9.932 -1.687 -9.145 1.00 0.00 C ATOM 796 O GLN A 118 9.341 -2.647 -9.640 1.00 0.00 O ATOM 797 CB GLN A 118 12.004 -1.816 -7.749 1.00 0.00 C ATOM 798 CG GLN A 118 12.658 -1.263 -6.493 1.00 0.00 C ATOM 799 CD GLN A 118 14.124 -0.932 -6.696 1.00 0.00 C ATOM 800 OE1 GLN A 118 14.531 0.226 -6.593 1.00 0.00 O ATOM 801 NE2 GLN A 118 14.926 -1.950 -6.986 1.00 0.00 N ATOM 0 H GLN A 118 10.165 -3.807 -7.430 1.00 0.00 H new ATOM 0 HA GLN A 118 10.166 -0.853 -7.191 1.00 0.00 H new ATOM 0 HB2 GLN A 118 12.314 -2.852 -7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.367 -1.259 -8.613 1.00 0.00 H new ATOM 0 HG2 GLN A 118 12.127 -0.365 -6.177 1.00 0.00 H new ATOM 0 HG3 GLN A 118 12.562 -1.991 -5.687 1.00 0.00 H new ATOM 0 HE21 GLN A 118 14.546 -2.893 -7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 118 15.922 -1.788 -7.133 1.00 0.00 H new ATOM 810 N LYS A 119 10.136 -0.549 -9.798 1.00 0.00 N ATOM 811 CA LYS A 119 9.667 -0.356 -11.165 1.00 0.00 C ATOM 812 C LYS A 119 10.178 -1.467 -12.077 1.00 0.00 C ATOM 813 O LYS A 119 9.455 -1.952 -12.948 1.00 0.00 O ATOM 814 CB LYS A 119 10.124 1.004 -11.696 1.00 0.00 C ATOM 815 CG LYS A 119 11.634 1.151 -11.774 1.00 0.00 C ATOM 816 CD LYS A 119 12.034 2.515 -12.310 1.00 0.00 C ATOM 817 CE LYS A 119 13.416 2.481 -12.945 1.00 0.00 C ATOM 818 NZ LYS A 119 14.493 2.355 -11.925 1.00 0.00 N ATOM 0 H LYS A 119 10.624 0.255 -9.402 1.00 0.00 H new ATOM 0 HA LYS A 119 8.578 -0.388 -11.157 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.701 1.158 -12.689 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.724 1.788 -11.054 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.066 1.007 -10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.044 0.372 -12.417 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.302 2.847 -13.046 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.023 3.243 -11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.475 1.644 -13.641 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.571 3.390 -13.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 15.419 2.335 -12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.453 3.167 -11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.360 1.475 -11.387 1.00 0.00 H new ATOM 832 N LYS A 120 11.428 -1.868 -11.871 1.00 0.00 N ATOM 833 CA LYS A 120 12.036 -2.923 -12.672 1.00 0.00 C ATOM 834 C LYS A 120 11.246 -4.222 -12.550 1.00 0.00 C ATOM 835 O LYS A 120 10.847 -4.813 -13.553 1.00 0.00 O ATOM 836 CB LYS A 120 13.485 -3.153 -12.235 1.00 0.00 C ATOM 837 CG LYS A 120 14.490 -2.300 -12.989 1.00 0.00 C ATOM 838 CD LYS A 120 14.963 -2.987 -14.259 1.00 0.00 C ATOM 839 CE LYS A 120 16.249 -2.366 -14.783 1.00 0.00 C ATOM 840 NZ LYS A 120 17.387 -2.572 -13.844 1.00 0.00 N ATOM 0 H LYS A 120 12.040 -1.477 -11.155 1.00 0.00 H new ATOM 0 HA LYS A 120 12.023 -2.606 -13.715 1.00 0.00 H new ATOM 0 HB2 LYS A 120 13.572 -2.944 -11.169 1.00 0.00 H new ATOM 0 HB3 LYS A 120 13.736 -4.204 -12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.038 -1.340 -13.240 1.00 0.00 H new ATOM 0 HG3 LYS A 120 15.346 -2.091 -12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 120 15.123 -4.047 -14.062 1.00 0.00 H new ATOM 0 HD3 LYS A 120 14.187 -2.918 -15.022 1.00 0.00 H new ATOM 0 HE2 LYS A 120 16.494 -2.801 -15.752 1.00 0.00 H new ATOM 0 HE3 LYS A 120 16.098 -1.298 -14.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 18.284 -2.502 -14.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 17.360 -1.845 -13.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 17.312 -3.514 -13.409 1.00 0.00 H new ATOM 854 N ASN A 121 11.022 -4.660 -11.315 1.00 0.00 N ATOM 855 CA ASN A 121 10.277 -5.889 -11.063 1.00 0.00 C ATOM 856 C ASN A 121 9.078 -5.622 -10.159 1.00 0.00 C ATOM 857 O ASN A 121 9.166 -5.760 -8.938 1.00 0.00 O ATOM 858 CB ASN A 121 11.188 -6.940 -10.426 1.00 0.00 C ATOM 859 CG ASN A 121 12.196 -7.504 -11.409 1.00 0.00 C ATOM 860 OD1 ASN A 121 12.896 -6.758 -12.094 1.00 0.00 O ATOM 861 ND2 ASN A 121 12.273 -8.828 -11.482 1.00 0.00 N ATOM 0 H ASN A 121 11.345 -4.183 -10.474 1.00 0.00 H new ATOM 0 HA ASN A 121 9.912 -6.266 -12.018 1.00 0.00 H new ATOM 0 HB2 ASN A 121 11.717 -6.496 -9.583 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.579 -7.752 -10.028 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.932 -9.266 -12.125 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.673 -9.407 -10.895 1.00 0.00 H new ATOM 868 N ARG A 122 7.959 -5.241 -10.765 1.00 0.00 N ATOM 869 CA ARG A 122 6.742 -4.955 -10.015 1.00 0.00 C ATOM 870 C ARG A 122 5.918 -6.223 -9.811 1.00 0.00 C ATOM 871 O ARG A 122 5.311 -6.418 -8.759 1.00 0.00 O ATOM 872 CB ARG A 122 5.905 -3.901 -10.741 1.00 0.00 C ATOM 873 CG ARG A 122 6.600 -2.555 -10.873 1.00 0.00 C ATOM 874 CD ARG A 122 5.982 -1.714 -11.978 1.00 0.00 C ATOM 875 NE ARG A 122 4.608 -1.327 -11.668 1.00 0.00 N ATOM 876 CZ ARG A 122 3.715 -0.985 -12.590 1.00 0.00 C ATOM 877 NH1 ARG A 122 4.049 -0.983 -13.873 1.00 0.00 N ATOM 878 NH2 ARG A 122 2.484 -0.645 -12.230 1.00 0.00 N ATOM 0 H ARG A 122 7.870 -5.123 -11.774 1.00 0.00 H new ATOM 0 HA ARG A 122 7.031 -4.569 -9.037 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.655 -4.270 -11.736 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.965 -3.764 -10.206 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.537 -2.018 -9.927 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.659 -2.710 -11.081 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.585 -0.819 -12.132 1.00 0.00 H new ATOM 0 HD3 ARG A 122 5.999 -2.275 -12.913 1.00 0.00 H new ATOM 0 HE ARG A 122 4.318 -1.319 -10.690 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.994 -1.245 -14.154 1.00 0.00 H new ATOM 0 HH12 ARG A 122 3.361 -0.720 -14.579 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.222 -0.646 -11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 122 1.799 -0.383 -12.939 1.00 0.00 H new ATOM 892 N ASN A 123 5.902 -7.081 -10.826 1.00 0.00 N ATOM 893 CA ASN A 123 5.151 -8.330 -10.759 1.00 0.00 C ATOM 894 C ASN A 123 5.998 -9.441 -10.145 1.00 0.00 C ATOM 895 O ASN A 123 6.077 -10.546 -10.682 1.00 0.00 O ATOM 896 CB ASN A 123 4.683 -8.743 -12.155 1.00 0.00 C ATOM 897 CG ASN A 123 5.753 -8.536 -13.209 1.00 0.00 C ATOM 898 OD1 ASN A 123 6.848 -9.093 -13.116 1.00 0.00 O ATOM 899 ND2 ASN A 123 5.442 -7.733 -14.220 1.00 0.00 N ATOM 0 H ASN A 123 6.400 -6.935 -11.704 1.00 0.00 H new ATOM 0 HA ASN A 123 4.280 -8.168 -10.124 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.389 -9.793 -12.141 1.00 0.00 H new ATOM 0 HB3 ASN A 123 3.797 -8.168 -12.423 1.00 0.00 H new ATOM 0 HD21 ASN A 123 6.122 -7.557 -14.959 1.00 0.00 H new ATOM 0 HD22 ASN A 123 4.523 -7.292 -14.257 1.00 0.00 H new ATOM 906 N LYS A 124 6.629 -9.141 -9.015 1.00 0.00 N ATOM 907 CA LYS A 124 7.468 -10.113 -8.325 1.00 0.00 C ATOM 908 C LYS A 124 6.684 -10.830 -7.231 1.00 0.00 C ATOM 909 O LYS A 124 6.515 -12.049 -7.272 1.00 0.00 O ATOM 910 CB LYS A 124 8.693 -9.422 -7.720 1.00 0.00 C ATOM 911 CG LYS A 124 9.820 -10.378 -7.371 1.00 0.00 C ATOM 912 CD LYS A 124 9.540 -11.121 -6.075 1.00 0.00 C ATOM 913 CE LYS A 124 10.820 -11.658 -5.453 1.00 0.00 C ATOM 914 NZ LYS A 124 10.552 -12.785 -4.518 1.00 0.00 N ATOM 0 H LYS A 124 6.575 -8.231 -8.557 1.00 0.00 H new ATOM 0 HA LYS A 124 7.798 -10.852 -9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.064 -8.677 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.390 -8.887 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.954 -11.095 -8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.754 -9.823 -7.279 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.045 -10.453 -5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 124 8.854 -11.946 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.494 -11.993 -6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.328 -10.856 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 11.451 -13.232 -4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 10.074 -12.424 -3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.944 -13.487 -4.986 1.00 0.00 H new ATOM 928 N CYS A 125 6.205 -10.066 -6.255 1.00 0.00 N ATOM 929 CA CYS A 125 5.437 -10.628 -5.151 1.00 0.00 C ATOM 930 C CYS A 125 4.022 -10.056 -5.125 1.00 0.00 C ATOM 931 O CYS A 125 3.811 -8.884 -5.435 1.00 0.00 O ATOM 932 CB CYS A 125 6.137 -10.346 -3.820 1.00 0.00 C ATOM 933 SG CYS A 125 5.293 -11.056 -2.370 1.00 0.00 S ATOM 0 H CYS A 125 6.335 -9.056 -6.206 1.00 0.00 H new ATOM 0 HA CYS A 125 5.371 -11.706 -5.299 1.00 0.00 H new ATOM 0 HB2 CYS A 125 7.152 -10.740 -3.865 1.00 0.00 H new ATOM 0 HB3 CYS A 125 6.220 -9.267 -3.687 1.00 0.00 H new ATOM 0 HG CYS A 125 5.652 -10.411 -1.300 1.00 0.00 H new ATOM 938 N GLN A 126 3.059 -10.893 -4.755 1.00 0.00 N ATOM 939 CA GLN A 126 1.664 -10.471 -4.690 1.00 0.00 C ATOM 940 C GLN A 126 1.347 -9.847 -3.334 1.00 0.00 C ATOM 941 O GLN A 126 0.977 -8.676 -3.250 1.00 0.00 O ATOM 942 CB GLN A 126 0.737 -11.660 -4.947 1.00 0.00 C ATOM 943 CG GLN A 126 0.687 -12.088 -6.405 1.00 0.00 C ATOM 944 CD GLN A 126 1.765 -13.095 -6.754 1.00 0.00 C ATOM 945 OE1 GLN A 126 2.957 -12.789 -6.703 1.00 0.00 O ATOM 946 NE2 GLN A 126 1.352 -14.305 -7.112 1.00 0.00 N ATOM 0 H GLN A 126 3.218 -11.867 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 126 1.501 -9.719 -5.462 1.00 0.00 H new ATOM 0 HB2 GLN A 126 1.065 -12.504 -4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -0.270 -11.403 -4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.291 -12.519 -6.620 1.00 0.00 H new ATOM 0 HG3 GLN A 126 0.795 -11.210 -7.042 1.00 0.00 H new ATOM 0 HE21 GLN A 126 0.354 -14.516 -7.141 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.032 -15.024 -7.358 1.00 0.00 H new ATOM 955 N TYR A 127 1.494 -10.637 -2.277 1.00 0.00 N ATOM 956 CA TYR A 127 1.221 -10.163 -0.925 1.00 0.00 C ATOM 957 C TYR A 127 1.894 -8.817 -0.673 1.00 0.00 C ATOM 958 O TYR A 127 1.226 -7.809 -0.443 1.00 0.00 O ATOM 959 CB TYR A 127 1.702 -11.187 0.104 1.00 0.00 C ATOM 960 CG TYR A 127 1.044 -11.040 1.458 1.00 0.00 C ATOM 961 CD1 TYR A 127 -0.227 -11.548 1.693 1.00 0.00 C ATOM 962 CD2 TYR A 127 1.695 -10.394 2.501 1.00 0.00 C ATOM 963 CE1 TYR A 127 -0.832 -11.415 2.928 1.00 0.00 C ATOM 964 CE2 TYR A 127 1.099 -10.257 3.740 1.00 0.00 C ATOM 965 CZ TYR A 127 -0.165 -10.769 3.948 1.00 0.00 C ATOM 966 OH TYR A 127 -0.764 -10.636 5.180 1.00 0.00 O ATOM 0 H TYR A 127 1.801 -11.608 -2.330 1.00 0.00 H new ATOM 0 HA TYR A 127 0.143 -10.034 -0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 127 1.510 -12.190 -0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 127 2.781 -11.092 0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -0.751 -12.056 0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 127 2.684 -9.992 2.341 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -1.822 -11.815 3.094 1.00 0.00 H new ATOM 0 HE2 TYR A 127 1.619 -9.752 4.541 1.00 0.00 H new ATOM 0 HH TYR A 127 -0.161 -10.158 5.787 1.00 0.00 H new ATOM 976 N CYS A 128 3.222 -8.810 -0.718 1.00 0.00 N ATOM 977 CA CYS A 128 3.988 -7.590 -0.495 1.00 0.00 C ATOM 978 C CYS A 128 3.351 -6.407 -1.219 1.00 0.00 C ATOM 979 O CYS A 128 3.180 -5.333 -0.643 1.00 0.00 O ATOM 980 CB CYS A 128 5.431 -7.775 -0.970 1.00 0.00 C ATOM 981 SG CYS A 128 6.479 -8.717 0.185 1.00 0.00 S ATOM 0 H CYS A 128 3.790 -9.636 -0.907 1.00 0.00 H new ATOM 0 HA CYS A 128 3.988 -7.382 0.575 1.00 0.00 H new ATOM 0 HB2 CYS A 128 5.423 -8.284 -1.934 1.00 0.00 H new ATOM 0 HB3 CYS A 128 5.878 -6.794 -1.132 1.00 0.00 H new ATOM 0 HG CYS A 128 7.256 -9.515 -0.486 1.00 0.00 H new ATOM 986 N ARG A 129 3.002 -6.613 -2.485 1.00 0.00 N ATOM 987 CA ARG A 129 2.385 -5.565 -3.288 1.00 0.00 C ATOM 988 C ARG A 129 1.179 -4.968 -2.568 1.00 0.00 C ATOM 989 O ARG A 129 1.175 -3.790 -2.211 1.00 0.00 O ATOM 990 CB ARG A 129 1.958 -6.119 -4.648 1.00 0.00 C ATOM 991 CG ARG A 129 1.834 -5.056 -5.727 1.00 0.00 C ATOM 992 CD ARG A 129 1.260 -5.631 -7.012 1.00 0.00 C ATOM 993 NE ARG A 129 1.590 -4.811 -8.175 1.00 0.00 N ATOM 994 CZ ARG A 129 1.314 -5.163 -9.425 1.00 0.00 C ATOM 995 NH1 ARG A 129 0.705 -6.314 -9.674 1.00 0.00 N ATOM 996 NH2 ARG A 129 1.646 -4.362 -10.430 1.00 0.00 N ATOM 0 H ARG A 129 3.136 -7.497 -2.976 1.00 0.00 H new ATOM 0 HA ARG A 129 3.123 -4.777 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.682 -6.868 -4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.000 -6.628 -4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.195 -4.248 -5.371 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.814 -4.623 -5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.643 -6.641 -7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.177 -5.711 -6.921 1.00 0.00 H new ATOM 0 HE ARG A 129 2.058 -3.919 -8.018 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.447 -6.932 -8.904 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.494 -6.582 -10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 129 2.114 -3.475 -10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.434 -4.633 -11.390 1.00 0.00 H new ATOM 1010 N PHE A 130 0.155 -5.790 -2.359 1.00 0.00 N ATOM 1011 CA PHE A 130 -1.058 -5.344 -1.684 1.00 0.00 C ATOM 1012 C PHE A 130 -0.730 -4.731 -0.325 1.00 0.00 C ATOM 1013 O PHE A 130 -1.225 -3.658 0.018 1.00 0.00 O ATOM 1014 CB PHE A 130 -2.028 -6.513 -1.508 1.00 0.00 C ATOM 1015 CG PHE A 130 -3.337 -6.118 -0.886 1.00 0.00 C ATOM 1016 CD1 PHE A 130 -4.198 -5.253 -1.542 1.00 0.00 C ATOM 1017 CD2 PHE A 130 -3.706 -6.610 0.356 1.00 0.00 C ATOM 1018 CE1 PHE A 130 -5.403 -4.888 -0.972 1.00 0.00 C ATOM 1019 CE2 PHE A 130 -4.910 -6.248 0.930 1.00 0.00 C ATOM 1020 CZ PHE A 130 -5.759 -5.385 0.266 1.00 0.00 C ATOM 0 H PHE A 130 0.142 -6.768 -2.648 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.529 -4.581 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -2.219 -6.966 -2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -1.556 -7.276 -0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.924 -4.859 -2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -3.045 -7.284 0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -6.066 -4.214 -1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.187 -6.640 1.898 1.00 0.00 H new ATOM 0 HZ PHE A 130 -6.699 -5.099 0.714 1.00 0.00 H new ATOM 1030 N GLN A 131 0.106 -5.422 0.442 1.00 0.00 N ATOM 1031 CA GLN A 131 0.499 -4.947 1.764 1.00 0.00 C ATOM 1032 C GLN A 131 1.010 -3.512 1.697 1.00 0.00 C ATOM 1033 O GLN A 131 0.525 -2.635 2.412 1.00 0.00 O ATOM 1034 CB GLN A 131 1.577 -5.857 2.357 1.00 0.00 C ATOM 1035 CG GLN A 131 1.030 -7.157 2.925 1.00 0.00 C ATOM 1036 CD GLN A 131 0.038 -6.931 4.049 1.00 0.00 C ATOM 1037 OE1 GLN A 131 0.419 -6.590 5.169 1.00 0.00 O ATOM 1038 NE2 GLN A 131 -1.243 -7.121 3.755 1.00 0.00 N ATOM 0 H GLN A 131 0.524 -6.312 0.172 1.00 0.00 H new ATOM 0 HA GLN A 131 -0.381 -4.971 2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 131 2.311 -6.088 1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.102 -5.318 3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.548 -7.723 2.128 1.00 0.00 H new ATOM 0 HG3 GLN A 131 1.857 -7.765 3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -1.514 -7.404 2.813 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -1.956 -6.984 4.471 1.00 0.00 H new ATOM 1047 N LYS A 132 1.992 -3.278 0.832 1.00 0.00 N ATOM 1048 CA LYS A 132 2.569 -1.949 0.670 1.00 0.00 C ATOM 1049 C LYS A 132 1.476 -0.886 0.606 1.00 0.00 C ATOM 1050 O LYS A 132 1.561 0.145 1.275 1.00 0.00 O ATOM 1051 CB LYS A 132 3.424 -1.893 -0.597 1.00 0.00 C ATOM 1052 CG LYS A 132 4.274 -0.639 -0.703 1.00 0.00 C ATOM 1053 CD LYS A 132 5.510 -0.872 -1.555 1.00 0.00 C ATOM 1054 CE LYS A 132 6.538 0.232 -1.361 1.00 0.00 C ATOM 1055 NZ LYS A 132 7.866 -0.142 -1.923 1.00 0.00 N ATOM 0 H LYS A 132 2.405 -3.992 0.232 1.00 0.00 H new ATOM 0 HA LYS A 132 3.200 -1.746 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.075 -2.767 -0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.772 -1.954 -1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 132 3.681 0.168 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 132 4.574 -0.317 0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 132 5.954 -1.833 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 132 5.224 -0.924 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 132 6.185 1.145 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 132 6.642 0.449 -0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 8.539 0.636 -1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 8.215 -0.999 -1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 7.773 -0.325 -2.943 1.00 0.00 H new ATOM 1069 N CYS A 133 0.453 -1.144 -0.200 1.00 0.00 N ATOM 1070 CA CYS A 133 -0.657 -0.209 -0.351 1.00 0.00 C ATOM 1071 C CYS A 133 -1.281 0.115 1.002 1.00 0.00 C ATOM 1072 O CYS A 133 -1.374 1.280 1.392 1.00 0.00 O ATOM 1073 CB CYS A 133 -1.716 -0.789 -1.290 1.00 0.00 C ATOM 1074 SG CYS A 133 -1.373 -0.520 -3.045 1.00 0.00 S ATOM 0 H CYS A 133 0.368 -1.993 -0.759 1.00 0.00 H new ATOM 0 HA CYS A 133 -0.268 0.714 -0.782 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -1.801 -1.860 -1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -2.682 -0.347 -1.048 1.00 0.00 H new ATOM 0 HG CYS A 133 -2.389 0.072 -3.600 1.00 0.00 H new ATOM 1080 N LEU A 134 -1.711 -0.921 1.713 1.00 0.00 N ATOM 1081 CA LEU A 134 -2.329 -0.747 3.023 1.00 0.00 C ATOM 1082 C LEU A 134 -1.389 -0.015 3.976 1.00 0.00 C ATOM 1083 O LEU A 134 -1.802 0.898 4.691 1.00 0.00 O ATOM 1084 CB LEU A 134 -2.714 -2.106 3.612 1.00 0.00 C ATOM 1085 CG LEU A 134 -3.680 -2.949 2.778 1.00 0.00 C ATOM 1086 CD1 LEU A 134 -3.533 -4.423 3.120 1.00 0.00 C ATOM 1087 CD2 LEU A 134 -5.114 -2.489 2.998 1.00 0.00 C ATOM 0 H LEU A 134 -1.643 -1.891 1.405 1.00 0.00 H new ATOM 0 HA LEU A 134 -3.229 -0.145 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.803 -2.683 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -3.160 -1.941 4.593 1.00 0.00 H new ATOM 0 HG LEU A 134 -3.434 -2.815 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.228 -5.007 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -2.513 -4.745 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -3.753 -4.575 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -5.788 -3.099 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.372 -2.593 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.210 -1.444 2.703 1.00 0.00 H new ATOM 1099 N ALA A 135 -0.124 -0.422 3.979 1.00 0.00 N ATOM 1100 CA ALA A 135 0.875 0.198 4.841 1.00 0.00 C ATOM 1101 C ALA A 135 0.980 1.695 4.571 1.00 0.00 C ATOM 1102 O ALA A 135 1.100 2.497 5.498 1.00 0.00 O ATOM 1103 CB ALA A 135 2.228 -0.471 4.647 1.00 0.00 C ATOM 0 H ALA A 135 0.233 -1.178 3.395 1.00 0.00 H new ATOM 0 HA ALA A 135 0.560 0.063 5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.964 0.002 5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.150 -1.529 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.540 -0.366 3.608 1.00 0.00 H new ATOM 1109 N LEU A 136 0.936 2.066 3.296 1.00 0.00 N ATOM 1110 CA LEU A 136 1.027 3.468 2.903 1.00 0.00 C ATOM 1111 C LEU A 136 -0.152 4.265 3.452 1.00 0.00 C ATOM 1112 O LEU A 136 -0.031 5.456 3.737 1.00 0.00 O ATOM 1113 CB LEU A 136 1.074 3.589 1.379 1.00 0.00 C ATOM 1114 CG LEU A 136 2.369 3.128 0.709 1.00 0.00 C ATOM 1115 CD1 LEU A 136 2.148 2.901 -0.779 1.00 0.00 C ATOM 1116 CD2 LEU A 136 3.478 4.145 0.936 1.00 0.00 C ATOM 0 H LEU A 136 0.838 1.415 2.517 1.00 0.00 H new ATOM 0 HA LEU A 136 1.946 3.878 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.248 3.012 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.901 4.632 1.112 1.00 0.00 H new ATOM 0 HG LEU A 136 2.672 2.183 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 136 3.080 2.573 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.385 2.136 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.821 3.831 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 136 4.392 3.801 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 136 3.183 5.105 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 136 3.654 4.259 2.006 1.00 0.00 H new ATOM 1128 N GLY A 137 -1.293 3.598 3.600 1.00 0.00 N ATOM 1129 CA GLY A 137 -2.477 4.259 4.116 1.00 0.00 C ATOM 1130 C GLY A 137 -3.641 4.205 3.146 1.00 0.00 C ATOM 1131 O GLY A 137 -4.586 4.985 3.257 1.00 0.00 O ATOM 0 H GLY A 137 -1.418 2.612 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.770 3.791 5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -2.241 5.300 4.338 1.00 0.00 H new ATOM 1135 N MET A 138 -3.571 3.283 2.192 1.00 0.00 N ATOM 1136 CA MET A 138 -4.627 3.132 1.198 1.00 0.00 C ATOM 1137 C MET A 138 -5.951 2.769 1.863 1.00 0.00 C ATOM 1138 O MET A 138 -6.144 1.637 2.306 1.00 0.00 O ATOM 1139 CB MET A 138 -4.246 2.059 0.176 1.00 0.00 C ATOM 1140 CG MET A 138 -3.467 2.600 -1.012 1.00 0.00 C ATOM 1141 SD MET A 138 -3.725 1.632 -2.511 1.00 0.00 S ATOM 1142 CE MET A 138 -2.817 2.610 -3.706 1.00 0.00 C ATOM 0 H MET A 138 -2.795 2.630 2.086 1.00 0.00 H new ATOM 0 HA MET A 138 -4.747 4.086 0.685 1.00 0.00 H new ATOM 0 HB2 MET A 138 -3.651 1.292 0.672 1.00 0.00 H new ATOM 0 HB3 MET A 138 -5.153 1.574 -0.185 1.00 0.00 H new ATOM 0 HG2 MET A 138 -3.763 3.633 -1.196 1.00 0.00 H new ATOM 0 HG3 MET A 138 -2.404 2.611 -0.770 1.00 0.00 H new ATOM 0 HE1 MET A 138 -2.912 2.158 -4.693 1.00 0.00 H new ATOM 0 HE2 MET A 138 -3.221 3.622 -3.730 1.00 0.00 H new ATOM 0 HE3 MET A 138 -1.765 2.645 -3.423 1.00 0.00 H new ATOM 1152 N SER A 139 -6.860 3.737 1.929 1.00 0.00 N ATOM 1153 CA SER A 139 -8.164 3.520 2.544 1.00 0.00 C ATOM 1154 C SER A 139 -9.142 2.911 1.543 1.00 0.00 C ATOM 1155 O SER A 139 -9.369 3.462 0.465 1.00 0.00 O ATOM 1156 CB SER A 139 -8.723 4.838 3.082 1.00 0.00 C ATOM 1157 OG SER A 139 -10.030 4.664 3.602 1.00 0.00 O ATOM 0 H SER A 139 -6.717 4.679 1.564 1.00 0.00 H new ATOM 0 HA SER A 139 -8.036 2.823 3.372 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.066 5.224 3.862 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.741 5.581 2.285 1.00 0.00 H new ATOM 0 HG SER A 139 -10.364 5.521 3.941 1.00 0.00 H new ATOM 1163 N HIS A 140 -9.719 1.770 1.908 1.00 0.00 N ATOM 1164 CA HIS A 140 -10.673 1.085 1.043 1.00 0.00 C ATOM 1165 C HIS A 140 -11.988 1.856 0.967 1.00 0.00 C ATOM 1166 O HIS A 140 -12.654 1.865 -0.067 1.00 0.00 O ATOM 1167 CB HIS A 140 -10.929 -0.333 1.554 1.00 0.00 C ATOM 1168 CG HIS A 140 -12.285 -0.861 1.199 1.00 0.00 C ATOM 1169 ND1 HIS A 140 -13.124 -1.459 2.116 1.00 0.00 N ATOM 1170 CD2 HIS A 140 -12.947 -0.878 0.019 1.00 0.00 C ATOM 1171 CE1 HIS A 140 -14.242 -1.822 1.515 1.00 0.00 C ATOM 1172 NE2 HIS A 140 -14.161 -1.481 0.242 1.00 0.00 N ATOM 0 H HIS A 140 -9.543 1.301 2.796 1.00 0.00 H new ATOM 0 HA HIS A 140 -10.245 1.031 0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -10.170 -1.000 1.146 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -10.815 -0.346 2.638 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -12.588 -0.490 -0.923 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -15.081 -2.314 1.985 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -14.882 -1.640 -0.461 1.00 0.00 H new