USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 769 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 75 THR OG1 : rot 123:sc= 1.09 USER MOD Set 1.2: A 77 HIS : no HD1:sc= 1.02 K(o=2.1,f=-5.1!) USER MOD Single : A 12 ASN : amide:sc= -2.26! C(o=-2.3!,f=-1.9!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 168:sc= -4.68! (180deg=-4.9!) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc=-0.00246 (180deg=-0.967) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -1.77 F(o=-3.1!,f=-1.8) USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 29 SER OG : rot -54:sc= 0.252 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.0151 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= 0.971 (180deg=0.543) USER MOD Single : A 47 HIS :FLIP no HD1:sc= -2.51 F(o=-3.8!,f=-2.5) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.555 K(o=0.56,f=-4.3!) USER MOD Single : A 67 HIS : no HD1:sc= -2.83 K(o=-2.8,f=-4.2!) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.222 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0459 X(o=-0.046,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -119:sc= 1.09 (180deg=-0.204) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.219) USER MOD Single : A 91 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.1!) USER MOD Single : A 93 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 94 THR OG1 : rot 170:sc= -0.774 USER MOD Single : A 95 TYR OH : rot 129:sc= 0.713 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -160:sc= -0.0134 (180deg=-0.175) USER MOD Single : A 102 GLN : amide:sc= -0.0649 K(o=-0.065,f=-1.7!) USER MOD Single : A 106 LYS NZ :NH3+ -157:sc= -0.0707 (180deg=-0.419) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.125 X(o=-0.12,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 137 N ASN A 12 6.400 -10.999 -7.455 1.00 0.00 N ATOM 138 CA ASN A 12 6.207 -9.717 -8.123 1.00 0.00 C ATOM 139 C ASN A 12 7.332 -8.748 -7.773 1.00 0.00 C ATOM 140 O ASN A 12 7.881 -8.077 -8.646 1.00 0.00 O ATOM 141 CB ASN A 12 4.857 -9.112 -7.731 1.00 0.00 C ATOM 142 CG ASN A 12 4.696 -7.688 -8.227 1.00 0.00 C ATOM 143 OD1 ASN A 12 4.174 -7.455 -9.318 1.00 0.00 O ATOM 144 ND2 ASN A 12 5.144 -6.728 -7.427 1.00 0.00 N ATOM 0 HA ASN A 12 6.221 -9.890 -9.199 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.054 -9.728 -8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.755 -9.130 -6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.063 -5.751 -7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.570 -6.968 -6.532 1.00 0.00 H new ATOM 151 N GLY A 13 7.671 -8.680 -6.489 1.00 0.00 N ATOM 152 CA GLY A 13 8.729 -7.791 -6.047 1.00 0.00 C ATOM 153 C GLY A 13 8.574 -7.383 -4.595 1.00 0.00 C ATOM 154 O GLY A 13 9.554 -7.050 -3.929 1.00 0.00 O ATOM 0 H GLY A 13 7.232 -9.225 -5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.693 -8.282 -6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.735 -6.899 -6.673 1.00 0.00 H new ATOM 158 N PHE A 14 7.339 -7.406 -4.104 1.00 0.00 N ATOM 159 CA PHE A 14 7.059 -7.033 -2.723 1.00 0.00 C ATOM 160 C PHE A 14 7.939 -7.821 -1.757 1.00 0.00 C ATOM 161 O PHE A 14 8.389 -8.924 -2.068 1.00 0.00 O ATOM 162 CB PHE A 14 5.583 -7.273 -2.397 1.00 0.00 C ATOM 163 CG PHE A 14 4.677 -6.175 -2.877 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.151 -6.204 -4.158 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.352 -5.115 -2.047 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.317 -5.196 -4.603 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.518 -4.104 -2.486 1.00 0.00 C ATOM 168 CZ PHE A 14 3.001 -4.144 -3.766 1.00 0.00 C ATOM 0 H PHE A 14 6.517 -7.679 -4.642 1.00 0.00 H new ATOM 0 HA PHE A 14 7.282 -5.972 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.268 -8.215 -2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.470 -7.381 -1.318 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.396 -7.024 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.755 -5.078 -1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.913 -5.231 -5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.271 -3.284 -1.829 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.351 -3.354 -4.112 1.00 0.00 H new ATOM 178 N LYS A 15 8.182 -7.246 -0.584 1.00 0.00 N ATOM 179 CA LYS A 15 9.007 -7.892 0.429 1.00 0.00 C ATOM 180 C LYS A 15 8.316 -7.871 1.789 1.00 0.00 C ATOM 181 O LYS A 15 7.551 -6.955 2.093 1.00 0.00 O ATOM 182 CB LYS A 15 10.368 -7.200 0.526 1.00 0.00 C ATOM 183 CG LYS A 15 11.128 -7.165 -0.789 1.00 0.00 C ATOM 184 CD LYS A 15 11.781 -8.503 -1.092 1.00 0.00 C ATOM 185 CE LYS A 15 12.055 -8.666 -2.579 1.00 0.00 C ATOM 186 NZ LYS A 15 13.070 -7.691 -3.066 1.00 0.00 N ATOM 0 H LYS A 15 7.819 -6.333 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 15 9.155 -8.930 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.223 -6.179 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.974 -7.712 1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.446 -6.901 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.891 -6.388 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.716 -8.587 -0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.134 -9.311 -0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.402 -9.680 -2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.127 -8.533 -3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.229 -7.834 -4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.728 -6.723 -2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.963 -7.834 -2.553 1.00 0.00 H new ATOM 200 N VAL A 16 8.592 -8.884 2.604 1.00 0.00 N ATOM 201 CA VAL A 16 8.000 -8.979 3.933 1.00 0.00 C ATOM 202 C VAL A 16 8.481 -7.846 4.832 1.00 0.00 C ATOM 203 O VAL A 16 9.682 -7.619 4.974 1.00 0.00 O ATOM 204 CB VAL A 16 8.333 -10.326 4.601 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.806 -10.360 6.028 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.764 -11.479 3.787 1.00 0.00 C ATOM 0 H VAL A 16 9.222 -9.651 2.367 1.00 0.00 H new ATOM 0 HA VAL A 16 6.920 -8.903 3.804 1.00 0.00 H new ATOM 0 HB VAL A 16 9.417 -10.436 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.051 -11.319 6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.265 -9.557 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.724 -10.228 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.009 -12.423 4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.681 -11.376 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.194 -11.465 2.786 1.00 0.00 H new ATOM 216 N GLY A 17 7.534 -7.136 5.439 1.00 0.00 N ATOM 217 CA GLY A 17 7.881 -6.034 6.318 1.00 0.00 C ATOM 218 C GLY A 17 7.456 -4.691 5.759 1.00 0.00 C ATOM 219 O GLY A 17 6.999 -3.820 6.499 1.00 0.00 O ATOM 0 H GLY A 17 6.533 -7.304 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.410 -6.186 7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.958 -6.031 6.484 1.00 0.00 H new ATOM 223 N MET A 18 7.607 -4.522 4.449 1.00 0.00 N ATOM 224 CA MET A 18 7.236 -3.274 3.792 1.00 0.00 C ATOM 225 C MET A 18 5.781 -2.919 4.082 1.00 0.00 C ATOM 226 O MET A 18 4.885 -3.749 3.921 1.00 0.00 O ATOM 227 CB MET A 18 7.456 -3.382 2.282 1.00 0.00 C ATOM 228 CG MET A 18 8.902 -3.648 1.896 1.00 0.00 C ATOM 229 SD MET A 18 9.331 -2.952 0.289 1.00 0.00 S ATOM 230 CE MET A 18 8.598 -4.161 -0.810 1.00 0.00 C ATOM 0 H MET A 18 7.983 -5.233 3.822 1.00 0.00 H new ATOM 0 HA MET A 18 7.871 -2.481 4.188 1.00 0.00 H new ATOM 0 HB2 MET A 18 6.830 -4.183 1.888 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.126 -2.458 1.808 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.560 -3.228 2.657 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.078 -4.724 1.880 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.589 -3.770 -1.827 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.182 -5.081 -0.780 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.576 -4.369 -0.493 1.00 0.00 H new ATOM 240 N LYS A 19 5.551 -1.683 4.510 1.00 0.00 N ATOM 241 CA LYS A 19 4.205 -1.217 4.821 1.00 0.00 C ATOM 242 C LYS A 19 3.557 -0.571 3.600 1.00 0.00 C ATOM 243 O LYS A 19 4.246 -0.069 2.711 1.00 0.00 O ATOM 244 CB LYS A 19 4.244 -0.219 5.980 1.00 0.00 C ATOM 245 CG LYS A 19 4.861 -0.782 7.248 1.00 0.00 C ATOM 246 CD LYS A 19 5.496 0.310 8.092 1.00 0.00 C ATOM 247 CE LYS A 19 5.843 -0.192 9.485 1.00 0.00 C ATOM 248 NZ LYS A 19 6.677 -1.425 9.438 1.00 0.00 N ATOM 0 H LYS A 19 6.281 -0.984 4.650 1.00 0.00 H new ATOM 0 HA LYS A 19 3.607 -2.080 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.808 0.661 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.229 0.113 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.095 -1.294 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.614 -1.526 6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.398 0.673 7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.812 1.156 8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.377 0.587 10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.925 -0.395 10.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.208 -1.519 10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.063 -2.255 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.343 -1.363 8.642 1.00 0.00 H new ATOM 262 N LEU A 20 2.229 -0.585 3.564 1.00 0.00 N ATOM 263 CA LEU A 20 1.488 0.001 2.453 1.00 0.00 C ATOM 264 C LEU A 20 0.008 0.138 2.798 1.00 0.00 C ATOM 265 O LEU A 20 -0.412 -0.186 3.908 1.00 0.00 O ATOM 266 CB LEU A 20 1.653 -0.855 1.196 1.00 0.00 C ATOM 267 CG LEU A 20 0.845 -2.152 1.156 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.642 -2.611 -0.280 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.536 -3.236 1.971 1.00 0.00 C ATOM 0 H LEU A 20 1.644 -0.996 4.291 1.00 0.00 H new ATOM 0 HA LEU A 20 1.892 0.995 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.377 -0.252 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.708 -1.105 1.087 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.134 -1.961 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.065 -3.536 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.104 -1.842 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.611 -2.784 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.947 -4.152 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.528 -3.424 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.629 -2.909 3.007 1.00 0.00 H new ATOM 281 N GLU A 21 -0.776 0.618 1.837 1.00 0.00 N ATOM 282 CA GLU A 21 -2.209 0.796 2.040 1.00 0.00 C ATOM 283 C GLU A 21 -3.007 -0.044 1.046 1.00 0.00 C ATOM 284 O GLU A 21 -2.602 -0.218 -0.102 1.00 0.00 O ATOM 285 CB GLU A 21 -2.587 2.271 1.898 1.00 0.00 C ATOM 286 CG GLU A 21 -1.853 3.184 2.865 1.00 0.00 C ATOM 287 CD GLU A 21 -2.160 4.650 2.631 1.00 0.00 C ATOM 288 OE1 GLU A 21 -3.316 5.059 2.866 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.244 5.389 2.213 1.00 0.00 O ATOM 0 H GLU A 21 -0.443 0.890 0.912 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.452 0.462 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.379 2.594 0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.660 2.379 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.125 2.918 3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.780 3.022 2.768 1.00 0.00 H new ATOM 296 N GLY A 22 -4.146 -0.561 1.498 1.00 0.00 N ATOM 297 CA GLY A 22 -4.983 -1.377 0.638 1.00 0.00 C ATOM 298 C GLY A 22 -6.456 -1.242 0.967 1.00 0.00 C ATOM 299 O GLY A 22 -6.821 -0.685 2.002 1.00 0.00 O ATOM 0 H GLY A 22 -4.504 -0.429 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.818 -1.092 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.687 -2.422 0.733 1.00 0.00 H new ATOM 303 N VAL A 23 -7.307 -1.754 0.082 1.00 0.00 N ATOM 304 CA VAL A 23 -8.750 -1.688 0.284 1.00 0.00 C ATOM 305 C VAL A 23 -9.278 -2.976 0.905 1.00 0.00 C ATOM 306 O VAL A 23 -8.802 -4.068 0.593 1.00 0.00 O ATOM 307 CB VAL A 23 -9.490 -1.429 -1.042 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.957 -1.813 -0.918 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.345 0.026 -1.458 1.00 0.00 C ATOM 0 H VAL A 23 -7.022 -2.218 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.937 -0.857 0.965 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.040 -2.050 -1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.464 -1.623 -1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -11.036 -2.871 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.423 -1.220 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.874 0.190 -2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.767 0.669 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.289 0.263 -1.590 1.00 0.00 H new ATOM 319 N ASP A 24 -10.263 -2.841 1.785 1.00 0.00 N ATOM 320 CA ASP A 24 -10.858 -3.995 2.450 1.00 0.00 C ATOM 321 C ASP A 24 -11.851 -4.700 1.531 1.00 0.00 C ATOM 322 O ASP A 24 -12.563 -4.072 0.748 1.00 0.00 O ATOM 323 CB ASP A 24 -11.556 -3.563 3.740 1.00 0.00 C ATOM 324 CG ASP A 24 -12.887 -2.886 3.479 1.00 0.00 C ATOM 325 OD1 ASP A 24 -12.969 -2.087 2.523 1.00 0.00 O ATOM 326 OD2 ASP A 24 -13.848 -3.155 4.232 1.00 0.00 O ATOM 0 H ASP A 24 -10.667 -1.944 2.055 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.058 -4.694 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.714 -4.435 4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.907 -2.882 4.290 1.00 0.00 H new ATOM 331 N PRO A 25 -11.899 -6.037 1.626 1.00 0.00 N ATOM 332 CA PRO A 25 -12.800 -6.857 0.810 1.00 0.00 C ATOM 333 C PRO A 25 -14.263 -6.677 1.204 1.00 0.00 C ATOM 334 O PRO A 25 -15.154 -7.273 0.600 1.00 0.00 O ATOM 335 CB PRO A 25 -12.340 -8.287 1.101 1.00 0.00 C ATOM 336 CG PRO A 25 -11.707 -8.215 2.448 1.00 0.00 C ATOM 337 CD PRO A 25 -11.079 -6.852 2.538 1.00 0.00 C ATOM 0 HA PRO A 25 -12.754 -6.587 -0.245 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.180 -8.982 1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.632 -8.636 0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.448 -8.356 3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.959 -8.998 2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.105 -6.464 3.556 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.033 -6.870 2.230 1.00 0.00 H new ATOM 345 N GLU A 26 -14.501 -5.854 2.220 1.00 0.00 N ATOM 346 CA GLU A 26 -15.856 -5.597 2.693 1.00 0.00 C ATOM 347 C GLU A 26 -16.380 -4.271 2.150 1.00 0.00 C ATOM 348 O GLU A 26 -17.569 -3.968 2.262 1.00 0.00 O ATOM 349 CB GLU A 26 -15.892 -5.585 4.223 1.00 0.00 C ATOM 350 CG GLU A 26 -15.333 -6.848 4.855 1.00 0.00 C ATOM 351 CD GLU A 26 -15.615 -6.930 6.343 1.00 0.00 C ATOM 352 OE1 GLU A 26 -16.729 -6.547 6.757 1.00 0.00 O ATOM 353 OE2 GLU A 26 -14.721 -7.375 7.093 1.00 0.00 O ATOM 0 H GLU A 26 -13.774 -5.354 2.731 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.499 -6.398 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.326 -4.727 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.922 -5.449 4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.762 -7.719 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.256 -6.886 4.690 1.00 0.00 H new ATOM 360 N HIS A 27 -15.485 -3.484 1.563 1.00 0.00 N ATOM 361 CA HIS A 27 -15.857 -2.189 1.002 1.00 0.00 C ATOM 362 C HIS A 27 -14.818 -1.718 -0.011 1.00 0.00 C ATOM 363 O HIS A 27 -13.617 -1.763 0.251 1.00 0.00 O ATOM 364 CB HIS A 27 -16.008 -1.152 2.115 1.00 0.00 C ATOM 365 CG HIS A 27 -17.361 -1.154 2.756 1.00 0.00 C ATOM 366 ND1 HIS A 27 -17.859 -1.897 3.772 1.00 0.00 N flip ATOM 367 CD2 HIS A 27 -18.383 -0.318 2.358 1.00 0.00 C flip ATOM 368 CE1 HIS A 27 -19.159 -1.501 3.968 1.00 0.00 C flip ATOM 369 NE2 HIS A 27 -19.451 -0.546 3.103 1.00 0.00 N flip ATOM 0 H HIS A 27 -14.498 -3.719 1.463 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.813 -2.303 0.490 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.253 -1.338 2.879 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.810 -0.161 1.706 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -18.321 0.409 1.562 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -19.833 -1.905 4.709 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -20.348 -0.066 3.024 1.00 0.00 H new ATOM 378 N GLN A 28 -15.290 -1.267 -1.169 1.00 0.00 N ATOM 379 CA GLN A 28 -14.402 -0.789 -2.222 1.00 0.00 C ATOM 380 C GLN A 28 -14.162 0.711 -2.093 1.00 0.00 C ATOM 381 O GLN A 28 -13.702 1.360 -3.032 1.00 0.00 O ATOM 382 CB GLN A 28 -14.989 -1.108 -3.598 1.00 0.00 C ATOM 383 CG GLN A 28 -14.794 -2.554 -4.023 1.00 0.00 C ATOM 384 CD GLN A 28 -13.505 -2.768 -4.791 1.00 0.00 C ATOM 385 OE1 GLN A 28 -12.394 -2.859 -4.070 1.00 0.00 O flip ATOM 386 NE2 GLN A 28 -13.507 -2.850 -6.020 1.00 0.00 N flip ATOM 0 H GLN A 28 -16.282 -1.223 -1.402 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.446 -1.301 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.055 -0.881 -3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.529 -0.455 -4.340 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.796 -3.192 -3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.637 -2.864 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.384 -2.775 -6.535 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.631 -2.993 -6.523 1.00 0.00 H new ATOM 395 N SER A 29 -14.479 1.258 -0.923 1.00 0.00 N ATOM 396 CA SER A 29 -14.302 2.683 -0.672 1.00 0.00 C ATOM 397 C SER A 29 -13.590 2.917 0.657 1.00 0.00 C ATOM 398 O SER A 29 -13.746 3.966 1.282 1.00 0.00 O ATOM 399 CB SER A 29 -15.657 3.394 -0.670 1.00 0.00 C ATOM 400 OG SER A 29 -15.497 4.797 -0.787 1.00 0.00 O ATOM 0 H SER A 29 -14.860 0.735 -0.134 1.00 0.00 H new ATOM 0 HA SER A 29 -13.685 3.094 -1.471 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.266 3.024 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.192 3.161 0.251 1.00 0.00 H new ATOM 0 HG SER A 29 -14.885 5.116 -0.091 1.00 0.00 H new ATOM 406 N VAL A 30 -12.807 1.931 1.083 1.00 0.00 N ATOM 407 CA VAL A 30 -12.069 2.028 2.336 1.00 0.00 C ATOM 408 C VAL A 30 -10.575 1.820 2.113 1.00 0.00 C ATOM 409 O VAL A 30 -10.166 0.914 1.386 1.00 0.00 O ATOM 410 CB VAL A 30 -12.571 0.997 3.364 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.712 1.032 4.619 1.00 0.00 C ATOM 412 CG2 VAL A 30 -14.033 1.251 3.702 1.00 0.00 C ATOM 0 H VAL A 30 -12.668 1.056 0.578 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.239 3.032 2.725 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.490 0.003 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.082 0.297 5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.679 0.798 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.758 2.026 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.372 0.514 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.141 2.251 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.635 1.171 2.797 1.00 0.00 H new ATOM 422 N TYR A 31 -9.765 2.664 2.742 1.00 0.00 N ATOM 423 CA TYR A 31 -8.316 2.575 2.610 1.00 0.00 C ATOM 424 C TYR A 31 -7.651 2.457 3.978 1.00 0.00 C ATOM 425 O TYR A 31 -7.581 3.428 4.733 1.00 0.00 O ATOM 426 CB TYR A 31 -7.773 3.798 1.871 1.00 0.00 C ATOM 427 CG TYR A 31 -8.303 3.938 0.461 1.00 0.00 C ATOM 428 CD1 TYR A 31 -8.197 2.894 -0.449 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.910 5.115 0.040 1.00 0.00 C ATOM 430 CE1 TYR A 31 -8.678 3.018 -1.738 1.00 0.00 C ATOM 431 CE2 TYR A 31 -9.396 5.247 -1.246 1.00 0.00 C ATOM 432 CZ TYR A 31 -9.277 4.196 -2.132 1.00 0.00 C ATOM 433 OH TYR A 31 -9.759 4.323 -3.414 1.00 0.00 O ATOM 0 H TYR A 31 -10.088 3.418 3.349 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.084 1.679 2.034 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.026 4.695 2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.685 3.738 1.837 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.730 1.969 -0.143 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.003 5.940 0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.585 2.197 -2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.867 6.168 -1.557 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.152 5.213 -3.529 1.00 0.00 H new ATOM 443 N CYS A 32 -7.163 1.261 4.290 1.00 0.00 N ATOM 444 CA CYS A 32 -6.503 1.014 5.568 1.00 0.00 C ATOM 445 C CYS A 32 -5.032 0.668 5.361 1.00 0.00 C ATOM 446 O CYS A 32 -4.590 0.436 4.236 1.00 0.00 O ATOM 447 CB CYS A 32 -7.206 -0.118 6.318 1.00 0.00 C ATOM 448 SG CYS A 32 -8.866 0.302 6.901 1.00 0.00 S ATOM 0 H CYS A 32 -7.212 0.448 3.676 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.563 1.925 6.163 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.271 -0.987 5.664 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.595 -0.408 7.173 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.380 -0.719 7.521 1.00 0.00 H new ATOM 454 N VAL A 33 -4.278 0.635 6.456 1.00 0.00 N ATOM 455 CA VAL A 33 -2.857 0.318 6.395 1.00 0.00 C ATOM 456 C VAL A 33 -2.620 -1.178 6.568 1.00 0.00 C ATOM 457 O VAL A 33 -3.113 -1.791 7.517 1.00 0.00 O ATOM 458 CB VAL A 33 -2.065 1.080 7.474 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.719 0.909 8.837 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.619 0.609 7.505 1.00 0.00 C ATOM 0 H VAL A 33 -4.628 0.824 7.395 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.506 0.627 5.411 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.073 2.141 7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.146 1.454 9.587 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.736 1.299 8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.744 -0.149 9.098 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.074 1.158 8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.588 -0.457 7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.157 0.788 6.534 1.00 0.00 H new ATOM 470 N LEU A 34 -1.863 -1.762 5.646 1.00 0.00 N ATOM 471 CA LEU A 34 -1.559 -3.188 5.696 1.00 0.00 C ATOM 472 C LEU A 34 -0.053 -3.426 5.665 1.00 0.00 C ATOM 473 O LEU A 34 0.719 -2.544 5.285 1.00 0.00 O ATOM 474 CB LEU A 34 -2.225 -3.913 4.525 1.00 0.00 C ATOM 475 CG LEU A 34 -3.733 -3.708 4.379 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.146 -3.802 2.918 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.494 -4.726 5.217 1.00 0.00 C ATOM 0 H LEU A 34 -1.448 -1.270 4.855 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.952 -3.585 6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.744 -3.589 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.032 -4.981 4.628 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.981 -2.711 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.223 -3.654 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.628 -3.034 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.884 -4.786 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.566 -4.565 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.240 -5.733 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.222 -4.610 6.266 1.00 0.00 H new ATOM 489 N THR A 35 0.361 -4.624 6.066 1.00 0.00 N ATOM 490 CA THR A 35 1.774 -4.979 6.083 1.00 0.00 C ATOM 491 C THR A 35 2.025 -6.275 5.321 1.00 0.00 C ATOM 492 O THR A 35 1.316 -7.263 5.506 1.00 0.00 O ATOM 493 CB THR A 35 2.296 -5.134 7.524 1.00 0.00 C ATOM 494 OG1 THR A 35 1.881 -4.018 8.319 1.00 0.00 O ATOM 495 CG2 THR A 35 3.814 -5.238 7.541 1.00 0.00 C ATOM 0 H THR A 35 -0.263 -5.365 6.384 1.00 0.00 H new ATOM 0 HA THR A 35 2.311 -4.165 5.595 1.00 0.00 H new ATOM 0 HB THR A 35 1.879 -6.051 7.941 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.216 -4.126 9.234 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.160 -5.347 8.569 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.126 -6.106 6.960 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.245 -4.336 7.107 1.00 0.00 H new ATOM 503 N VAL A 36 3.041 -6.264 4.463 1.00 0.00 N ATOM 504 CA VAL A 36 3.387 -7.440 3.673 1.00 0.00 C ATOM 505 C VAL A 36 3.940 -8.552 4.557 1.00 0.00 C ATOM 506 O VAL A 36 5.065 -8.466 5.049 1.00 0.00 O ATOM 507 CB VAL A 36 4.423 -7.100 2.586 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.717 -8.322 1.728 1.00 0.00 C ATOM 509 CG2 VAL A 36 3.935 -5.942 1.729 1.00 0.00 C ATOM 0 H VAL A 36 3.638 -5.454 4.298 1.00 0.00 H new ATOM 0 HA VAL A 36 2.469 -7.782 3.195 1.00 0.00 H new ATOM 0 HB VAL A 36 5.349 -6.796 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.451 -8.063 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.112 -9.121 2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.798 -8.659 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.680 -5.715 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.995 -6.215 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.780 -5.065 2.357 1.00 0.00 H new ATOM 519 N ALA A 37 3.142 -9.596 4.755 1.00 0.00 N ATOM 520 CA ALA A 37 3.552 -10.727 5.577 1.00 0.00 C ATOM 521 C ALA A 37 4.303 -11.764 4.749 1.00 0.00 C ATOM 522 O ALA A 37 5.264 -12.370 5.221 1.00 0.00 O ATOM 523 CB ALA A 37 2.342 -11.359 6.247 1.00 0.00 C ATOM 0 H ALA A 37 2.207 -9.682 4.357 1.00 0.00 H new ATOM 0 HA ALA A 37 4.228 -10.357 6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.664 -12.203 6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.849 -10.620 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.645 -11.708 5.485 1.00 0.00 H new ATOM 529 N GLU A 38 3.858 -11.963 3.513 1.00 0.00 N ATOM 530 CA GLU A 38 4.488 -12.929 2.620 1.00 0.00 C ATOM 531 C GLU A 38 4.267 -12.546 1.160 1.00 0.00 C ATOM 532 O GLU A 38 3.298 -11.863 0.826 1.00 0.00 O ATOM 533 CB GLU A 38 3.936 -14.332 2.880 1.00 0.00 C ATOM 534 CG GLU A 38 4.918 -15.443 2.550 1.00 0.00 C ATOM 535 CD GLU A 38 6.046 -15.544 3.559 1.00 0.00 C ATOM 536 OE1 GLU A 38 5.790 -16.001 4.692 1.00 0.00 O ATOM 537 OE2 GLU A 38 7.185 -15.165 3.214 1.00 0.00 O ATOM 0 H GLU A 38 3.064 -11.468 3.107 1.00 0.00 H new ATOM 0 HA GLU A 38 5.560 -12.925 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.649 -14.412 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.030 -14.472 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.386 -16.393 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.337 -15.270 1.559 1.00 0.00 H new ATOM 544 N VAL A 39 5.172 -12.990 0.294 1.00 0.00 N ATOM 545 CA VAL A 39 5.076 -12.694 -1.131 1.00 0.00 C ATOM 546 C VAL A 39 5.426 -13.918 -1.970 1.00 0.00 C ATOM 547 O VAL A 39 6.453 -14.561 -1.751 1.00 0.00 O ATOM 548 CB VAL A 39 6.006 -11.532 -1.526 1.00 0.00 C ATOM 549 CG1 VAL A 39 5.912 -11.257 -3.019 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.669 -10.284 -0.724 1.00 0.00 C ATOM 0 H VAL A 39 5.980 -13.556 0.554 1.00 0.00 H new ATOM 0 HA VAL A 39 4.043 -12.406 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 39 7.033 -11.817 -1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.576 -10.433 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.206 -12.149 -3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.886 -10.992 -3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.336 -9.473 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.637 -9.993 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.792 -10.490 0.339 1.00 0.00 H new ATOM 560 N CYS A 40 4.566 -14.234 -2.932 1.00 0.00 N ATOM 561 CA CYS A 40 4.783 -15.381 -3.805 1.00 0.00 C ATOM 562 C CYS A 40 3.984 -15.240 -5.097 1.00 0.00 C ATOM 563 O CYS A 40 3.092 -14.399 -5.199 1.00 0.00 O ATOM 564 CB CYS A 40 4.393 -16.675 -3.089 1.00 0.00 C ATOM 565 SG CYS A 40 5.231 -18.149 -3.717 1.00 0.00 S ATOM 0 H CYS A 40 3.712 -13.712 -3.127 1.00 0.00 H new ATOM 0 HA CYS A 40 5.843 -15.419 -4.057 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.613 -16.570 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.316 -16.817 -3.179 1.00 0.00 H new ATOM 0 HG CYS A 40 4.837 -19.191 -3.047 1.00 0.00 H new ATOM 571 N GLY A 41 4.313 -16.070 -6.084 1.00 0.00 N ATOM 572 CA GLY A 41 3.618 -16.020 -7.357 1.00 0.00 C ATOM 573 C GLY A 41 3.245 -14.607 -7.759 1.00 0.00 C ATOM 574 O GLY A 41 3.979 -13.659 -7.476 1.00 0.00 O ATOM 0 H GLY A 41 5.048 -16.775 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.249 -16.460 -8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.715 -16.628 -7.299 1.00 0.00 H new ATOM 578 N TYR A 42 2.103 -14.464 -8.422 1.00 0.00 N ATOM 579 CA TYR A 42 1.636 -13.156 -8.867 1.00 0.00 C ATOM 580 C TYR A 42 0.644 -12.563 -7.871 1.00 0.00 C ATOM 581 O TYR A 42 -0.387 -12.012 -8.258 1.00 0.00 O ATOM 582 CB TYR A 42 0.986 -13.267 -10.247 1.00 0.00 C ATOM 583 CG TYR A 42 1.157 -12.029 -11.098 1.00 0.00 C ATOM 584 CD1 TYR A 42 0.326 -10.928 -10.934 1.00 0.00 C ATOM 585 CD2 TYR A 42 2.151 -11.960 -12.067 1.00 0.00 C ATOM 586 CE1 TYR A 42 0.478 -9.795 -11.710 1.00 0.00 C ATOM 587 CE2 TYR A 42 2.312 -10.831 -12.847 1.00 0.00 C ATOM 588 CZ TYR A 42 1.473 -9.752 -12.664 1.00 0.00 C ATOM 589 OH TYR A 42 1.629 -8.625 -13.439 1.00 0.00 O ATOM 0 H TYR A 42 1.483 -15.238 -8.663 1.00 0.00 H new ATOM 0 HA TYR A 42 2.498 -12.493 -8.931 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.413 -14.121 -10.773 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.078 -13.468 -10.123 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.453 -10.958 -10.186 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.809 -12.804 -12.213 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.178 -8.949 -11.570 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.090 -10.794 -13.595 1.00 0.00 H new ATOM 0 HH TYR A 42 2.375 -8.756 -14.061 1.00 0.00 H new ATOM 599 N ARG A 43 0.965 -12.680 -6.587 1.00 0.00 N ATOM 600 CA ARG A 43 0.103 -12.156 -5.534 1.00 0.00 C ATOM 601 C ARG A 43 0.922 -11.749 -4.312 1.00 0.00 C ATOM 602 O ARG A 43 2.128 -11.991 -4.254 1.00 0.00 O ATOM 603 CB ARG A 43 -0.943 -13.199 -5.135 1.00 0.00 C ATOM 604 CG ARG A 43 -2.009 -13.429 -6.195 1.00 0.00 C ATOM 605 CD ARG A 43 -2.927 -14.581 -5.820 1.00 0.00 C ATOM 606 NE ARG A 43 -2.356 -15.876 -6.181 1.00 0.00 N ATOM 607 CZ ARG A 43 -2.793 -17.033 -5.696 1.00 0.00 C ATOM 608 NH1 ARG A 43 -3.802 -17.056 -4.835 1.00 0.00 N ATOM 609 NH2 ARG A 43 -2.222 -18.170 -6.072 1.00 0.00 N ATOM 0 H ARG A 43 1.815 -13.133 -6.251 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.404 -11.272 -5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.441 -14.144 -4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.425 -12.883 -4.210 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.597 -12.521 -6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.532 -13.639 -7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.120 -14.556 -4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.888 -14.456 -6.320 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.579 -15.893 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.244 -16.184 -4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.136 -17.946 -4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.446 -18.157 -6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.559 -19.058 -5.699 1.00 0.00 H new ATOM 623 N ILE A 44 0.259 -11.132 -3.341 1.00 0.00 N ATOM 624 CA ILE A 44 0.926 -10.692 -2.121 1.00 0.00 C ATOM 625 C ILE A 44 0.002 -10.816 -0.914 1.00 0.00 C ATOM 626 O ILE A 44 -1.194 -10.538 -1.003 1.00 0.00 O ATOM 627 CB ILE A 44 1.408 -9.234 -2.237 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.248 -8.321 -2.640 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.545 -9.130 -3.243 1.00 0.00 C ATOM 630 CD1 ILE A 44 0.537 -6.851 -2.436 1.00 0.00 C ATOM 0 H ILE A 44 -0.739 -10.925 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 44 1.790 -11.341 -1.982 1.00 0.00 H new ATOM 0 HB ILE A 44 1.779 -8.911 -1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.008 -8.494 -3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.635 -8.593 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.875 -8.093 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.377 -9.754 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.199 -9.468 -4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.329 -6.264 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.748 -6.664 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.401 -6.563 -3.035 1.00 0.00 H new ATOM 642 N LYS A 45 0.565 -11.235 0.214 1.00 0.00 N ATOM 643 CA LYS A 45 -0.206 -11.393 1.441 1.00 0.00 C ATOM 644 C LYS A 45 -0.443 -10.044 2.113 1.00 0.00 C ATOM 645 O LYS A 45 0.489 -9.262 2.303 1.00 0.00 O ATOM 646 CB LYS A 45 0.520 -12.334 2.406 1.00 0.00 C ATOM 647 CG LYS A 45 -0.409 -13.050 3.371 1.00 0.00 C ATOM 648 CD LYS A 45 0.301 -14.183 4.092 1.00 0.00 C ATOM 649 CE LYS A 45 -0.642 -14.930 5.023 1.00 0.00 C ATOM 650 NZ LYS A 45 -0.800 -14.233 6.329 1.00 0.00 N ATOM 0 H LYS A 45 1.553 -11.471 0.304 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.173 -11.824 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.073 -13.075 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.252 -11.762 2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.795 -12.339 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.267 -13.445 2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.717 -14.876 3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.138 -13.783 4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.617 -15.033 4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.262 -15.937 5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.705 -14.507 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.019 -14.500 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.786 -13.204 6.177 1.00 0.00 H new ATOM 664 N LEU A 46 -1.694 -9.779 2.471 1.00 0.00 N ATOM 665 CA LEU A 46 -2.053 -8.524 3.124 1.00 0.00 C ATOM 666 C LEU A 46 -2.473 -8.764 4.570 1.00 0.00 C ATOM 667 O LEU A 46 -3.511 -9.371 4.835 1.00 0.00 O ATOM 668 CB LEU A 46 -3.186 -7.836 2.360 1.00 0.00 C ATOM 669 CG LEU A 46 -2.783 -7.105 1.078 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.909 -5.903 1.400 1.00 0.00 C ATOM 671 CD2 LEU A 46 -2.063 -8.052 0.128 1.00 0.00 C ATOM 0 H LEU A 46 -2.477 -10.415 2.321 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.176 -7.877 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.935 -8.586 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.665 -7.120 3.028 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.688 -6.748 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.633 -5.396 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.459 -5.214 2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.008 -6.236 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.784 -7.515 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.166 -8.440 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.723 -8.880 -0.130 1.00 0.00 H new ATOM 683 N HIS A 47 -1.660 -8.281 5.505 1.00 0.00 N ATOM 684 CA HIS A 47 -1.948 -8.440 6.926 1.00 0.00 C ATOM 685 C HIS A 47 -2.264 -7.094 7.570 1.00 0.00 C ATOM 686 O HIS A 47 -1.461 -6.162 7.510 1.00 0.00 O ATOM 687 CB HIS A 47 -0.763 -9.094 7.638 1.00 0.00 C ATOM 688 CG HIS A 47 -0.820 -8.973 9.130 1.00 0.00 C ATOM 689 ND1 HIS A 47 -0.708 -7.891 9.935 1.00 0.00 N flip ATOM 690 CD2 HIS A 47 -1.012 -10.052 9.965 1.00 0.00 C flip ATOM 691 CE1 HIS A 47 -0.833 -8.332 11.229 1.00 0.00 C flip ATOM 692 NE2 HIS A 47 -1.017 -9.640 11.220 1.00 0.00 N flip ATOM 0 H HIS A 47 -0.797 -7.776 5.304 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.822 -9.084 7.025 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.725 -10.149 7.368 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.161 -8.640 7.280 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.139 -11.075 9.643 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.788 -7.710 12.111 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.142 -10.231 12.042 1.00 0.00 H new ATOM 701 N PHE A 48 -3.439 -6.998 8.184 1.00 0.00 N ATOM 702 CA PHE A 48 -3.862 -5.765 8.838 1.00 0.00 C ATOM 703 C PHE A 48 -2.978 -5.458 10.043 1.00 0.00 C ATOM 704 O PHE A 48 -2.681 -6.339 10.850 1.00 0.00 O ATOM 705 CB PHE A 48 -5.323 -5.872 9.277 1.00 0.00 C ATOM 706 CG PHE A 48 -6.300 -5.769 8.140 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.547 -4.550 7.530 1.00 0.00 C ATOM 708 CD2 PHE A 48 -6.970 -6.891 7.682 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.445 -4.452 6.484 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.869 -6.800 6.636 1.00 0.00 C ATOM 711 CZ PHE A 48 -8.106 -5.579 6.036 1.00 0.00 C ATOM 0 H PHE A 48 -4.115 -7.759 8.242 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.764 -4.950 8.121 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.472 -6.823 9.788 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.535 -5.085 10.000 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.032 -3.666 7.876 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.788 -7.848 8.148 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.630 -3.496 6.018 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.385 -7.683 6.288 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.807 -5.505 5.218 1.00 0.00 H new ATOM 721 N ASP A 49 -2.560 -4.202 10.158 1.00 0.00 N ATOM 722 CA ASP A 49 -1.710 -3.777 11.264 1.00 0.00 C ATOM 723 C ASP A 49 -2.509 -3.691 12.561 1.00 0.00 C ATOM 724 O ASP A 49 -3.164 -2.685 12.833 1.00 0.00 O ATOM 725 CB ASP A 49 -1.072 -2.422 10.953 1.00 0.00 C ATOM 726 CG ASP A 49 0.056 -2.082 11.907 1.00 0.00 C ATOM 727 OD1 ASP A 49 -0.101 -2.323 13.122 1.00 0.00 O ATOM 728 OD2 ASP A 49 1.096 -1.572 11.439 1.00 0.00 O ATOM 0 H ASP A 49 -2.796 -3.460 9.499 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.923 -4.520 11.392 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.691 -2.429 9.932 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.834 -1.644 11.004 1.00 0.00 H new ATOM 733 N GLY A 50 -2.451 -4.754 13.358 1.00 0.00 N ATOM 734 CA GLY A 50 -3.175 -4.778 14.615 1.00 0.00 C ATOM 735 C GLY A 50 -4.124 -5.956 14.715 1.00 0.00 C ATOM 736 O GLY A 50 -4.037 -6.755 15.648 1.00 0.00 O ATOM 0 H GLY A 50 -1.916 -5.598 13.155 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.464 -4.818 15.440 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.738 -3.851 14.724 1.00 0.00 H new ATOM 740 N TYR A 51 -5.034 -6.063 13.754 1.00 0.00 N ATOM 741 CA TYR A 51 -6.007 -7.149 13.739 1.00 0.00 C ATOM 742 C TYR A 51 -5.311 -8.505 13.821 1.00 0.00 C ATOM 743 O TYR A 51 -4.093 -8.581 13.979 1.00 0.00 O ATOM 744 CB TYR A 51 -6.863 -7.079 12.474 1.00 0.00 C ATOM 745 CG TYR A 51 -7.920 -5.999 12.517 1.00 0.00 C ATOM 746 CD1 TYR A 51 -7.636 -4.703 12.107 1.00 0.00 C ATOM 747 CD2 TYR A 51 -9.205 -6.276 12.969 1.00 0.00 C ATOM 748 CE1 TYR A 51 -8.599 -3.714 12.146 1.00 0.00 C ATOM 749 CE2 TYR A 51 -10.175 -5.293 13.010 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.867 -4.013 12.598 1.00 0.00 C ATOM 751 OH TYR A 51 -10.829 -3.031 12.637 1.00 0.00 O ATOM 0 H TYR A 51 -5.119 -5.411 12.974 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.651 -7.037 14.611 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.214 -6.906 11.615 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.347 -8.043 12.319 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.645 -4.464 11.751 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.449 -7.277 13.294 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.360 -2.711 11.824 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.169 -5.525 13.363 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.667 -3.407 12.979 1.00 0.00 H new ATOM 761 N SER A 52 -6.095 -9.573 13.713 1.00 0.00 N ATOM 762 CA SER A 52 -5.556 -10.926 13.777 1.00 0.00 C ATOM 763 C SER A 52 -5.151 -11.416 12.391 1.00 0.00 C ATOM 764 O SER A 52 -5.683 -10.959 11.379 1.00 0.00 O ATOM 765 CB SER A 52 -6.587 -11.879 14.387 1.00 0.00 C ATOM 766 OG SER A 52 -6.905 -11.504 15.716 1.00 0.00 O ATOM 0 H SER A 52 -7.105 -9.527 13.581 1.00 0.00 H new ATOM 0 HA SER A 52 -4.669 -10.908 14.410 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.492 -11.878 13.779 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.197 -12.897 14.376 1.00 0.00 H new ATOM 0 HG SER A 52 -7.567 -12.127 16.082 1.00 0.00 H new ATOM 772 N ASP A 53 -4.206 -12.350 12.353 1.00 0.00 N ATOM 773 CA ASP A 53 -3.729 -12.904 11.091 1.00 0.00 C ATOM 774 C ASP A 53 -4.868 -13.570 10.325 1.00 0.00 C ATOM 775 O ASP A 53 -4.977 -13.426 9.107 1.00 0.00 O ATOM 776 CB ASP A 53 -2.609 -13.914 11.345 1.00 0.00 C ATOM 777 CG ASP A 53 -1.259 -13.248 11.525 1.00 0.00 C ATOM 778 OD1 ASP A 53 -1.048 -12.610 12.577 1.00 0.00 O ATOM 779 OD2 ASP A 53 -0.413 -13.365 10.613 1.00 0.00 O ATOM 0 H ASP A 53 -3.756 -12.739 13.181 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.339 -12.085 10.486 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.845 -14.497 12.235 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.558 -14.613 10.510 1.00 0.00 H new ATOM 784 N CYS A 54 -5.712 -14.299 11.047 1.00 0.00 N ATOM 785 CA CYS A 54 -6.842 -14.990 10.434 1.00 0.00 C ATOM 786 C CYS A 54 -7.508 -14.113 9.380 1.00 0.00 C ATOM 787 O CYS A 54 -8.016 -14.610 8.374 1.00 0.00 O ATOM 788 CB CYS A 54 -7.862 -15.389 11.502 1.00 0.00 C ATOM 789 SG CYS A 54 -7.343 -16.779 12.535 1.00 0.00 S ATOM 0 H CYS A 54 -5.636 -14.427 12.056 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.466 -15.890 9.947 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.058 -14.528 12.141 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.802 -15.644 11.014 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.270 -17.040 13.409 1.00 0.00 H new ATOM 795 N TYR A 55 -7.504 -12.806 9.616 1.00 0.00 N ATOM 796 CA TYR A 55 -8.112 -11.859 8.689 1.00 0.00 C ATOM 797 C TYR A 55 -7.125 -11.455 7.598 1.00 0.00 C ATOM 798 O TYR A 55 -7.105 -10.305 7.159 1.00 0.00 O ATOM 799 CB TYR A 55 -8.597 -10.617 9.439 1.00 0.00 C ATOM 800 CG TYR A 55 -9.604 -10.921 10.526 1.00 0.00 C ATOM 801 CD1 TYR A 55 -10.925 -11.216 10.214 1.00 0.00 C ATOM 802 CD2 TYR A 55 -9.233 -10.915 11.865 1.00 0.00 C ATOM 803 CE1 TYR A 55 -11.848 -11.493 11.204 1.00 0.00 C ATOM 804 CE2 TYR A 55 -10.149 -11.192 12.861 1.00 0.00 C ATOM 805 CZ TYR A 55 -11.455 -11.480 12.526 1.00 0.00 C ATOM 806 OH TYR A 55 -12.371 -11.757 13.514 1.00 0.00 O ATOM 0 H TYR A 55 -7.086 -12.378 10.442 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.966 -12.347 8.219 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.739 -10.112 9.882 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.043 -9.923 8.726 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.236 -11.229 9.180 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.211 -10.690 12.132 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.872 -11.718 10.944 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.844 -11.183 13.897 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.933 -11.707 14.389 1.00 0.00 H new ATOM 816 N ASP A 56 -6.308 -12.409 7.166 1.00 0.00 N ATOM 817 CA ASP A 56 -5.319 -12.155 6.125 1.00 0.00 C ATOM 818 C ASP A 56 -5.858 -12.552 4.754 1.00 0.00 C ATOM 819 O ASP A 56 -6.455 -13.617 4.595 1.00 0.00 O ATOM 820 CB ASP A 56 -4.028 -12.920 6.421 1.00 0.00 C ATOM 821 CG ASP A 56 -4.285 -14.365 6.801 1.00 0.00 C ATOM 822 OD1 ASP A 56 -5.388 -14.869 6.503 1.00 0.00 O ATOM 823 OD2 ASP A 56 -3.384 -14.991 7.395 1.00 0.00 O ATOM 0 H ASP A 56 -6.311 -13.365 7.521 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.105 -11.086 6.115 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.381 -12.888 5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.493 -12.424 7.231 1.00 0.00 H new ATOM 828 N PHE A 57 -5.643 -11.689 3.767 1.00 0.00 N ATOM 829 CA PHE A 57 -6.108 -11.949 2.409 1.00 0.00 C ATOM 830 C PHE A 57 -5.040 -11.574 1.387 1.00 0.00 C ATOM 831 O PHE A 57 -4.179 -10.735 1.652 1.00 0.00 O ATOM 832 CB PHE A 57 -7.394 -11.168 2.130 1.00 0.00 C ATOM 833 CG PHE A 57 -7.221 -9.679 2.213 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.449 -9.005 1.281 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.829 -8.952 3.224 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.287 -7.634 1.354 1.00 0.00 C ATOM 837 CE2 PHE A 57 -7.672 -7.582 3.303 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.899 -6.922 2.367 1.00 0.00 C ATOM 0 H PHE A 57 -5.150 -10.804 3.882 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.312 -13.016 2.319 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.759 -11.428 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.159 -11.477 2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.968 -9.557 0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.433 -9.463 3.959 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.683 -7.121 0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.153 -7.027 4.095 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.774 -5.851 2.427 1.00 0.00 H new ATOM 848 N TRP A 58 -5.102 -12.202 0.218 1.00 0.00 N ATOM 849 CA TRP A 58 -4.140 -11.935 -0.845 1.00 0.00 C ATOM 850 C TRP A 58 -4.772 -11.102 -1.955 1.00 0.00 C ATOM 851 O TRP A 58 -5.899 -11.364 -2.375 1.00 0.00 O ATOM 852 CB TRP A 58 -3.605 -13.248 -1.418 1.00 0.00 C ATOM 853 CG TRP A 58 -2.776 -14.028 -0.442 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.145 -14.427 0.811 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.439 -14.500 -0.638 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.118 -15.120 1.405 1.00 0.00 N ATOM 857 CE2 TRP A 58 -1.060 -15.179 0.536 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.526 -14.418 -1.693 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.192 -15.769 0.684 1.00 0.00 C ATOM 860 CZ3 TRP A 58 0.717 -15.004 -1.545 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.067 -15.673 -0.364 1.00 0.00 C ATOM 0 H TRP A 58 -5.808 -12.899 -0.018 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.312 -11.369 -0.418 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.444 -13.863 -1.744 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.005 -13.033 -2.302 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.103 -14.227 1.268 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.140 -15.525 2.341 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.787 -13.906 -2.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.463 -16.284 1.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.431 -14.945 -2.353 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.046 -16.121 -0.279 1.00 0.00 H new ATOM 872 N VAL A 59 -4.039 -10.098 -2.426 1.00 0.00 N ATOM 873 CA VAL A 59 -4.528 -9.228 -3.489 1.00 0.00 C ATOM 874 C VAL A 59 -3.621 -9.290 -4.712 1.00 0.00 C ATOM 875 O VAL A 59 -2.575 -9.937 -4.688 1.00 0.00 O ATOM 876 CB VAL A 59 -4.632 -7.766 -3.014 1.00 0.00 C ATOM 877 CG1 VAL A 59 -5.464 -7.674 -1.744 1.00 0.00 C ATOM 878 CG2 VAL A 59 -3.246 -7.178 -2.797 1.00 0.00 C ATOM 0 H VAL A 59 -3.105 -9.867 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.521 -9.587 -3.759 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.132 -7.185 -3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.526 -6.634 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.467 -8.054 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.996 -8.268 -0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.337 -6.145 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.718 -7.760 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.688 -7.208 -3.733 1.00 0.00 H new ATOM 888 N ASN A 60 -4.029 -8.613 -5.780 1.00 0.00 N ATOM 889 CA ASN A 60 -3.252 -8.591 -7.014 1.00 0.00 C ATOM 890 C ASN A 60 -1.946 -7.827 -6.821 1.00 0.00 C ATOM 891 O ASN A 60 -1.951 -6.637 -6.505 1.00 0.00 O ATOM 892 CB ASN A 60 -4.066 -7.956 -8.143 1.00 0.00 C ATOM 893 CG ASN A 60 -5.518 -8.393 -8.125 1.00 0.00 C ATOM 894 OD1 ASN A 60 -6.237 -8.156 -7.155 1.00 0.00 O ATOM 895 ND2 ASN A 60 -5.956 -9.035 -9.202 1.00 0.00 N ATOM 0 H ASN A 60 -4.893 -8.072 -5.816 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.014 -9.620 -7.282 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.015 -6.871 -8.058 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.621 -8.222 -9.102 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.924 -9.353 -9.248 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.324 -9.210 -9.984 1.00 0.00 H new ATOM 902 N ALA A 61 -0.827 -8.519 -7.015 1.00 0.00 N ATOM 903 CA ALA A 61 0.486 -7.905 -6.865 1.00 0.00 C ATOM 904 C ALA A 61 0.493 -6.481 -7.412 1.00 0.00 C ATOM 905 O ALA A 61 1.113 -5.588 -6.837 1.00 0.00 O ATOM 906 CB ALA A 61 1.544 -8.746 -7.564 1.00 0.00 C ATOM 0 H ALA A 61 -0.804 -9.505 -7.276 1.00 0.00 H new ATOM 0 HA ALA A 61 0.718 -7.858 -5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.520 -8.276 -7.444 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.565 -9.743 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.306 -8.822 -8.625 1.00 0.00 H new ATOM 912 N ASP A 62 -0.201 -6.278 -8.527 1.00 0.00 N ATOM 913 CA ASP A 62 -0.275 -4.963 -9.152 1.00 0.00 C ATOM 914 C ASP A 62 -1.707 -4.436 -9.142 1.00 0.00 C ATOM 915 O ASP A 62 -2.212 -3.963 -10.159 1.00 0.00 O ATOM 916 CB ASP A 62 0.247 -5.027 -10.588 1.00 0.00 C ATOM 917 CG ASP A 62 -0.768 -5.616 -11.548 1.00 0.00 C ATOM 918 OD1 ASP A 62 -0.911 -6.857 -11.570 1.00 0.00 O ATOM 919 OD2 ASP A 62 -1.418 -4.838 -12.277 1.00 0.00 O ATOM 0 H ASP A 62 -0.720 -7.007 -9.016 1.00 0.00 H new ATOM 0 HA ASP A 62 0.349 -4.279 -8.577 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.516 -4.024 -10.919 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.157 -5.626 -10.614 1.00 0.00 H new ATOM 924 N ALA A 63 -2.356 -4.523 -7.985 1.00 0.00 N ATOM 925 CA ALA A 63 -3.728 -4.055 -7.842 1.00 0.00 C ATOM 926 C ALA A 63 -3.780 -2.537 -7.709 1.00 0.00 C ATOM 927 O ALA A 63 -2.835 -1.914 -7.222 1.00 0.00 O ATOM 928 CB ALA A 63 -4.388 -4.714 -6.640 1.00 0.00 C ATOM 0 H ALA A 63 -1.953 -4.914 -7.133 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.276 -4.334 -8.742 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.413 -4.355 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.393 -5.796 -6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.831 -4.464 -5.737 1.00 0.00 H new ATOM 934 N LEU A 64 -4.886 -1.946 -8.146 1.00 0.00 N ATOM 935 CA LEU A 64 -5.060 -0.500 -8.077 1.00 0.00 C ATOM 936 C LEU A 64 -5.452 -0.065 -6.669 1.00 0.00 C ATOM 937 O LEU A 64 -5.016 0.981 -6.187 1.00 0.00 O ATOM 938 CB LEU A 64 -6.125 -0.046 -9.078 1.00 0.00 C ATOM 939 CG LEU A 64 -5.955 -0.549 -10.512 1.00 0.00 C ATOM 940 CD1 LEU A 64 -7.242 -0.358 -11.300 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.799 0.166 -11.195 1.00 0.00 C ATOM 0 H LEU A 64 -5.676 -2.446 -8.552 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.109 -0.032 -8.330 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.100 -0.370 -8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.138 1.044 -9.095 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.728 -1.614 -10.478 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.103 -0.721 -12.318 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.047 -0.916 -10.822 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.500 0.701 -11.325 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.693 -0.205 -12.214 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.996 1.238 -11.217 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.878 -0.022 -10.643 1.00 0.00 H new ATOM 953 N ASP A 65 -6.276 -0.876 -6.013 1.00 0.00 N ATOM 954 CA ASP A 65 -6.724 -0.577 -4.657 1.00 0.00 C ATOM 955 C ASP A 65 -5.540 -0.251 -3.753 1.00 0.00 C ATOM 956 O ASP A 65 -5.560 0.737 -3.019 1.00 0.00 O ATOM 957 CB ASP A 65 -7.509 -1.758 -4.085 1.00 0.00 C ATOM 958 CG ASP A 65 -7.034 -3.089 -4.634 1.00 0.00 C ATOM 959 OD1 ASP A 65 -7.282 -3.362 -5.827 1.00 0.00 O ATOM 960 OD2 ASP A 65 -6.415 -3.858 -3.870 1.00 0.00 O ATOM 0 H ASP A 65 -6.647 -1.745 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.376 0.296 -4.700 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.414 -1.762 -2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.567 -1.631 -4.312 1.00 0.00 H new ATOM 965 N ILE A 66 -4.510 -1.090 -3.810 1.00 0.00 N ATOM 966 CA ILE A 66 -3.318 -0.890 -2.996 1.00 0.00 C ATOM 967 C ILE A 66 -2.565 0.365 -3.421 1.00 0.00 C ATOM 968 O ILE A 66 -2.482 0.681 -4.609 1.00 0.00 O ATOM 969 CB ILE A 66 -2.368 -2.100 -3.083 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.985 -2.370 -4.540 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.015 -3.328 -2.463 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.848 -3.356 -4.693 1.00 0.00 C ATOM 0 H ILE A 66 -4.478 -1.914 -4.411 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.655 -0.776 -1.966 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.460 -1.872 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.858 -2.748 -5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.706 -1.429 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.331 -4.174 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.242 -3.130 -1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.937 -3.562 -2.996 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.630 -3.499 -5.751 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.038 -2.970 -4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.131 -4.310 -4.249 1.00 0.00 H new ATOM 984 N HIS A 67 -2.015 1.079 -2.444 1.00 0.00 N ATOM 985 CA HIS A 67 -1.265 2.300 -2.717 1.00 0.00 C ATOM 986 C HIS A 67 -0.044 2.403 -1.809 1.00 0.00 C ATOM 987 O HIS A 67 -0.072 2.011 -0.642 1.00 0.00 O ATOM 988 CB HIS A 67 -2.160 3.526 -2.528 1.00 0.00 C ATOM 989 CG HIS A 67 -2.955 3.880 -3.747 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.430 4.583 -4.811 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.245 3.623 -4.068 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.362 4.744 -5.732 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.473 4.171 -5.306 1.00 0.00 N ATOM 0 H HIS A 67 -2.075 0.833 -1.456 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.924 2.263 -3.752 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.844 3.342 -1.699 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.541 4.378 -2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.961 3.087 -3.463 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.237 5.257 -6.674 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.357 4.141 -5.814 1.00 0.00 H new ATOM 1002 N PRO A 68 1.057 2.942 -2.355 1.00 0.00 N ATOM 1003 CA PRO A 68 2.309 3.108 -1.612 1.00 0.00 C ATOM 1004 C PRO A 68 2.203 4.177 -0.530 1.00 0.00 C ATOM 1005 O PRO A 68 1.517 5.184 -0.703 1.00 0.00 O ATOM 1006 CB PRO A 68 3.308 3.536 -2.690 1.00 0.00 C ATOM 1007 CG PRO A 68 2.473 4.168 -3.750 1.00 0.00 C ATOM 1008 CD PRO A 68 1.163 3.431 -3.740 1.00 0.00 C ATOM 0 HA PRO A 68 2.594 2.197 -1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.042 4.237 -2.293 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.861 2.681 -3.079 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.325 5.229 -3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.956 4.092 -4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.331 4.086 -4.000 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.158 2.610 -4.457 1.00 0.00 H new ATOM 1016 N VAL A 69 2.888 3.952 0.587 1.00 0.00 N ATOM 1017 CA VAL A 69 2.873 4.897 1.697 1.00 0.00 C ATOM 1018 C VAL A 69 2.963 6.335 1.197 1.00 0.00 C ATOM 1019 O VAL A 69 3.691 6.629 0.250 1.00 0.00 O ATOM 1020 CB VAL A 69 4.032 4.633 2.676 1.00 0.00 C ATOM 1021 CG1 VAL A 69 4.030 5.662 3.797 1.00 0.00 C ATOM 1022 CG2 VAL A 69 3.943 3.222 3.237 1.00 0.00 C ATOM 0 H VAL A 69 3.460 3.123 0.747 1.00 0.00 H new ATOM 0 HA VAL A 69 1.927 4.755 2.219 1.00 0.00 H new ATOM 0 HB VAL A 69 4.972 4.726 2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.856 5.459 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.145 6.660 3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.088 5.605 4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.770 3.052 3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.998 3.100 3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.998 2.502 2.421 1.00 0.00 H new ATOM 1032 N GLY A 70 2.217 7.228 1.840 1.00 0.00 N ATOM 1033 CA GLY A 70 2.227 8.624 1.446 1.00 0.00 C ATOM 1034 C GLY A 70 1.093 8.968 0.501 1.00 0.00 C ATOM 1035 O GLY A 70 0.527 10.060 0.571 1.00 0.00 O ATOM 0 H GLY A 70 1.606 7.009 2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.157 9.250 2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.178 8.856 0.967 1.00 0.00 H new ATOM 1039 N TRP A 71 0.761 8.037 -0.385 1.00 0.00 N ATOM 1040 CA TRP A 71 -0.313 8.249 -1.350 1.00 0.00 C ATOM 1041 C TRP A 71 -1.464 9.026 -0.722 1.00 0.00 C ATOM 1042 O TRP A 71 -1.828 10.104 -1.194 1.00 0.00 O ATOM 1043 CB TRP A 71 -0.818 6.907 -1.884 1.00 0.00 C ATOM 1044 CG TRP A 71 -2.068 7.026 -2.702 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -2.159 7.410 -4.009 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.406 6.763 -2.265 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -3.472 7.400 -4.412 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -4.257 7.006 -3.361 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -3.968 6.343 -1.057 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.638 6.844 -3.282 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -5.338 6.183 -0.979 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.161 6.432 -2.086 1.00 0.00 C ATOM 0 H TRP A 71 1.219 7.128 -0.456 1.00 0.00 H new ATOM 0 HA TRP A 71 0.086 8.835 -2.178 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.037 6.449 -2.491 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.004 6.237 -1.045 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.321 7.682 -4.634 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.808 7.646 -5.343 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.342 6.147 -0.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.273 7.037 -4.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.783 5.861 -0.049 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.228 6.296 -1.994 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.033 8.474 0.344 1.00 0.00 N ATOM 1064 CA CYS A 72 -3.144 9.116 1.037 1.00 0.00 C ATOM 1065 C CYS A 72 -2.973 10.632 1.051 1.00 0.00 C ATOM 1066 O CYS A 72 -3.935 11.376 0.867 1.00 0.00 O ATOM 1067 CB CYS A 72 -3.253 8.590 2.468 1.00 0.00 C ATOM 1068 SG CYS A 72 -1.719 8.708 3.417 1.00 0.00 S ATOM 0 H CYS A 72 -1.743 7.583 0.747 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.062 8.877 0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.033 9.145 2.989 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.569 7.547 2.437 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.912 8.240 4.614 1.00 0.00 H new ATOM 1074 N GLU A 73 -1.741 11.081 1.274 1.00 0.00 N ATOM 1075 CA GLU A 73 -1.445 12.508 1.315 1.00 0.00 C ATOM 1076 C GLU A 73 -1.245 13.063 -0.092 1.00 0.00 C ATOM 1077 O GLU A 73 -1.754 14.133 -0.428 1.00 0.00 O ATOM 1078 CB GLU A 73 -0.196 12.768 2.159 1.00 0.00 C ATOM 1079 CG GLU A 73 0.039 14.238 2.462 1.00 0.00 C ATOM 1080 CD GLU A 73 1.414 14.501 3.046 1.00 0.00 C ATOM 1081 OE1 GLU A 73 1.562 14.397 4.282 1.00 0.00 O ATOM 1082 OE2 GLU A 73 2.340 14.811 2.269 1.00 0.00 O ATOM 0 H GLU A 73 -0.933 10.478 1.429 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.295 13.016 1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.282 12.221 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.674 12.370 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.080 14.817 1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.721 14.587 3.161 1.00 0.00 H new ATOM 1089 N LYS A 74 -0.501 12.328 -0.912 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.233 12.744 -2.283 1.00 0.00 C ATOM 1091 C LYS A 74 -1.517 13.185 -2.979 1.00 0.00 C ATOM 1092 O LYS A 74 -1.584 14.274 -3.550 1.00 0.00 O ATOM 1093 CB LYS A 74 0.418 11.602 -3.067 1.00 0.00 C ATOM 1094 CG LYS A 74 0.833 11.990 -4.475 1.00 0.00 C ATOM 1095 CD LYS A 74 1.494 10.830 -5.201 1.00 0.00 C ATOM 1096 CE LYS A 74 1.943 11.230 -6.598 1.00 0.00 C ATOM 1097 NZ LYS A 74 3.229 11.979 -6.574 1.00 0.00 N ATOM 0 H LYS A 74 -0.073 11.440 -0.650 1.00 0.00 H new ATOM 0 HA LYS A 74 0.452 13.591 -2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.295 11.252 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.279 10.766 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.042 12.320 -5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.522 12.834 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.353 10.482 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.796 9.995 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.054 10.337 -7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.173 11.845 -7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.501 12.233 -7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.116 12.844 -6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.970 11.383 -6.152 1.00 0.00 H new ATOM 1111 N THR A 75 -2.536 12.333 -2.925 1.00 0.00 N ATOM 1112 CA THR A 75 -3.818 12.635 -3.550 1.00 0.00 C ATOM 1113 C THR A 75 -4.692 13.480 -2.630 1.00 0.00 C ATOM 1114 O THR A 75 -5.203 14.525 -3.032 1.00 0.00 O ATOM 1115 CB THR A 75 -4.579 11.348 -3.921 1.00 0.00 C ATOM 1116 OG1 THR A 75 -4.848 10.580 -2.743 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.777 10.510 -4.906 1.00 0.00 C ATOM 0 H THR A 75 -2.498 11.429 -2.455 1.00 0.00 H new ATOM 0 HA THR A 75 -3.602 13.196 -4.459 1.00 0.00 H new ATOM 0 HB THR A 75 -5.520 11.632 -4.391 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.814 10.434 -2.661 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.334 9.606 -5.153 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.599 11.086 -5.814 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.822 10.236 -4.457 1.00 0.00 H new ATOM 1125 N GLY A 76 -4.858 13.023 -1.393 1.00 0.00 N ATOM 1126 CA GLY A 76 -5.670 13.750 -0.436 1.00 0.00 C ATOM 1127 C GLY A 76 -6.860 12.944 0.047 1.00 0.00 C ATOM 1128 O GLY A 76 -7.980 13.452 0.107 1.00 0.00 O ATOM 0 H GLY A 76 -4.444 12.162 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.054 14.031 0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.023 14.675 -0.892 1.00 0.00 H new ATOM 1132 N HIS A 77 -6.618 11.683 0.391 1.00 0.00 N ATOM 1133 CA HIS A 77 -7.678 10.804 0.870 1.00 0.00 C ATOM 1134 C HIS A 77 -7.643 10.688 2.390 1.00 0.00 C ATOM 1135 O HIS A 77 -6.710 11.163 3.038 1.00 0.00 O ATOM 1136 CB HIS A 77 -7.546 9.418 0.237 1.00 0.00 C ATOM 1137 CG HIS A 77 -8.193 9.310 -1.109 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -7.571 9.698 -2.277 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -9.415 8.852 -1.469 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -8.383 9.485 -3.297 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -9.508 8.972 -2.834 1.00 0.00 N ATOM 0 H HIS A 77 -5.697 11.247 0.347 1.00 0.00 H new ATOM 0 HA HIS A 77 -8.635 11.238 0.579 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.489 9.169 0.144 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.989 8.679 0.904 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.175 8.465 -0.807 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.164 9.695 -4.334 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.315 8.708 -3.399 1.00 0.00 H new ATOM 1150 N LYS A 78 -8.664 10.053 2.955 1.00 0.00 N ATOM 1151 CA LYS A 78 -8.751 9.873 4.399 1.00 0.00 C ATOM 1152 C LYS A 78 -8.372 8.449 4.794 1.00 0.00 C ATOM 1153 O LYS A 78 -9.204 7.541 4.755 1.00 0.00 O ATOM 1154 CB LYS A 78 -10.165 10.191 4.890 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.481 11.676 4.914 1.00 0.00 C ATOM 1156 CD LYS A 78 -10.607 12.242 3.509 1.00 0.00 C ATOM 1157 CE LYS A 78 -10.954 13.723 3.534 1.00 0.00 C ATOM 1158 NZ LYS A 78 -9.750 14.571 3.755 1.00 0.00 N ATOM 0 H LYS A 78 -9.444 9.654 2.433 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.047 10.561 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.886 9.685 4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.292 9.785 5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.410 11.842 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.696 12.207 5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.670 12.096 2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.376 11.696 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.426 14.001 2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.681 13.912 4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.028 15.573 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.313 14.323 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.066 14.410 2.988 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.114 8.260 5.175 1.00 0.00 N ATOM 1173 CA LEU A 79 -6.625 6.946 5.578 1.00 0.00 C ATOM 1174 C LEU A 79 -7.284 6.496 6.878 1.00 0.00 C ATOM 1175 O LEU A 79 -7.580 7.312 7.752 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.105 6.975 5.747 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.498 5.829 6.556 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -4.696 4.503 5.837 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.019 6.082 6.813 1.00 0.00 C ATOM 0 H LEU A 79 -6.413 9.000 5.213 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.883 6.233 4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.649 6.975 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.830 7.916 6.225 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.010 5.778 7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.257 3.699 6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.762 4.316 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.211 4.542 4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.603 5.256 7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.493 6.161 5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.900 7.011 7.371 1.00 0.00 H new ATOM 1191 N HIS A 80 -7.509 5.192 7.001 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.130 4.633 8.196 1.00 0.00 C ATOM 1193 C HIS A 80 -7.091 3.951 9.081 1.00 0.00 C ATOM 1194 O HIS A 80 -6.365 3.055 8.650 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.222 3.634 7.810 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.401 4.266 7.138 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -11.663 4.287 7.694 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.506 4.904 5.948 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.492 4.909 6.876 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -11.815 5.293 5.809 1.00 0.00 N ATOM 0 H HIS A 80 -7.271 4.503 6.288 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.579 5.452 8.758 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.796 2.881 7.146 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.561 3.114 8.706 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.708 5.075 5.240 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.545 5.075 7.050 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.202 5.797 5.011 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.015 4.385 10.348 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.067 3.830 11.319 1.00 0.00 C ATOM 1211 C PRO A 81 -6.421 2.404 11.725 1.00 0.00 C ATOM 1212 O PRO A 81 -7.562 1.960 11.592 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.194 4.774 12.517 1.00 0.00 C ATOM 1214 CG PRO A 81 -7.564 5.349 12.403 1.00 0.00 C ATOM 1215 CD PRO A 81 -7.849 5.449 10.930 1.00 0.00 C ATOM 0 HA PRO A 81 -5.057 3.767 10.913 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.066 4.239 13.458 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.434 5.554 12.488 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.297 4.713 12.900 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.617 6.328 12.878 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -8.906 5.294 10.714 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.583 6.429 10.535 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.422 1.667 12.232 1.00 0.00 N ATOM 1224 CA PRO A 82 -5.604 0.279 12.669 1.00 0.00 C ATOM 1225 C PRO A 82 -6.453 0.176 13.932 1.00 0.00 C ATOM 1226 O PRO A 82 -7.064 1.153 14.364 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.176 -0.197 12.944 1.00 0.00 C ATOM 1228 CG PRO A 82 -3.415 1.046 13.254 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.037 2.131 12.419 1.00 0.00 C ATOM 0 HA PRO A 82 -6.130 -0.317 11.924 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.146 -0.898 13.778 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.757 -0.712 12.080 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.476 1.287 14.315 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.358 0.927 13.015 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.002 3.096 12.924 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.521 2.250 11.466 1.00 0.00 H new ATOM 1237 N LYS A 83 -6.485 -1.015 14.521 1.00 0.00 N ATOM 1238 CA LYS A 83 -7.257 -1.247 15.736 1.00 0.00 C ATOM 1239 C LYS A 83 -6.727 -0.398 16.888 1.00 0.00 C ATOM 1240 O LYS A 83 -5.524 -0.361 17.141 1.00 0.00 O ATOM 1241 CB LYS A 83 -7.213 -2.728 16.118 1.00 0.00 C ATOM 1242 CG LYS A 83 -5.876 -3.170 16.686 1.00 0.00 C ATOM 1243 CD LYS A 83 -5.838 -3.028 18.199 1.00 0.00 C ATOM 1244 CE LYS A 83 -4.423 -3.174 18.737 1.00 0.00 C ATOM 1245 NZ LYS A 83 -3.592 -1.974 18.446 1.00 0.00 N ATOM 0 H LYS A 83 -5.985 -1.835 14.176 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.290 -0.959 15.541 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.994 -2.929 16.851 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.441 -3.329 15.237 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.689 -4.208 16.412 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.077 -2.575 16.244 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.238 -2.055 18.484 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.481 -3.783 18.653 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.459 -3.338 19.814 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.956 -4.055 18.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.782 -2.248 17.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.166 -1.268 17.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.246 -1.566 19.338 1.00 0.00 H new ATOM 1259 N GLY A 84 -7.635 0.282 17.583 1.00 0.00 N ATOM 1260 CA GLY A 84 -7.239 1.119 18.700 1.00 0.00 C ATOM 1261 C GLY A 84 -6.321 2.250 18.280 1.00 0.00 C ATOM 1262 O GLY A 84 -5.363 2.575 18.982 1.00 0.00 O ATOM 0 H GLY A 84 -8.637 0.268 17.392 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.129 1.534 19.172 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.737 0.507 19.449 1.00 0.00 H new ATOM 1266 N TYR A 85 -6.611 2.850 17.131 1.00 0.00 N ATOM 1267 CA TYR A 85 -5.802 3.948 16.616 1.00 0.00 C ATOM 1268 C TYR A 85 -6.673 4.978 15.903 1.00 0.00 C ATOM 1269 O TYR A 85 -7.499 4.633 15.058 1.00 0.00 O ATOM 1270 CB TYR A 85 -4.734 3.417 15.659 1.00 0.00 C ATOM 1271 CG TYR A 85 -3.431 3.065 16.341 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -2.508 4.050 16.671 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -3.122 1.747 16.655 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -1.317 3.734 17.294 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -1.934 1.422 17.279 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.034 2.418 17.596 1.00 0.00 C ATOM 1277 OH TYR A 85 0.152 2.097 18.216 1.00 0.00 O ATOM 0 H TYR A 85 -7.401 2.594 16.538 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.314 4.434 17.461 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.120 2.532 15.152 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.542 4.166 14.891 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.726 5.081 16.436 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -3.823 0.964 16.407 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.611 4.512 17.543 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.710 0.393 17.518 1.00 0.00 H new ATOM 0 HH TYR A 85 0.195 1.128 18.359 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.481 6.247 16.250 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.245 7.330 15.643 1.00 0.00 C ATOM 1289 C LYS A 86 -6.456 7.989 14.516 1.00 0.00 C ATOM 1290 O LYS A 86 -5.226 7.954 14.507 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.615 8.374 16.699 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.944 8.104 17.383 1.00 0.00 C ATOM 1293 CD LYS A 86 -8.771 7.229 18.613 1.00 0.00 C ATOM 1294 CE LYS A 86 -8.864 5.752 18.263 1.00 0.00 C ATOM 1295 NZ LYS A 86 -8.058 4.910 19.190 1.00 0.00 N ATOM 0 H LYS A 86 -5.802 6.550 16.949 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.157 6.906 15.223 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.829 8.410 17.453 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.651 9.357 16.229 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.405 9.049 17.670 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.623 7.618 16.682 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.805 7.435 19.074 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.535 7.479 19.349 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.906 5.435 18.299 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.519 5.599 17.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.303 3.909 19.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.046 5.049 18.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.261 5.183 20.173 1.00 0.00 H new ATOM 1309 N GLU A 87 -7.171 8.588 13.570 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.536 9.255 12.440 1.00 0.00 C ATOM 1311 C GLU A 87 -5.580 10.344 12.918 1.00 0.00 C ATOM 1312 O GLU A 87 -4.433 10.413 12.477 1.00 0.00 O ATOM 1313 CB GLU A 87 -7.594 9.860 11.515 1.00 0.00 C ATOM 1314 CG GLU A 87 -8.550 10.807 12.222 1.00 0.00 C ATOM 1315 CD GLU A 87 -9.802 11.084 11.413 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -10.394 10.119 10.886 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -10.190 12.267 11.306 1.00 0.00 O ATOM 0 H GLU A 87 -8.190 8.625 13.563 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.964 8.510 11.887 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.095 10.396 10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.167 9.054 11.056 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.831 10.381 13.185 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.039 11.748 12.426 1.00 0.00 H new ATOM 1324 N GLU A 88 -6.062 11.192 13.821 1.00 0.00 N ATOM 1325 CA GLU A 88 -5.250 12.278 14.357 1.00 0.00 C ATOM 1326 C GLU A 88 -4.161 11.739 15.280 1.00 0.00 C ATOM 1327 O GLU A 88 -3.130 12.381 15.480 1.00 0.00 O ATOM 1328 CB GLU A 88 -6.130 13.275 15.116 1.00 0.00 C ATOM 1329 CG GLU A 88 -7.091 12.618 16.092 1.00 0.00 C ATOM 1330 CD GLU A 88 -8.413 12.247 15.449 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -8.692 12.742 14.338 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -9.167 11.460 16.058 1.00 0.00 O ATOM 0 H GLU A 88 -7.009 11.148 14.196 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.773 12.788 13.520 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.491 13.970 15.661 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.701 13.863 14.398 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.628 11.722 16.504 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.274 13.295 16.927 1.00 0.00 H new ATOM 1339 N GLU A 89 -4.399 10.557 15.840 1.00 0.00 N ATOM 1340 CA GLU A 89 -3.439 9.933 16.742 1.00 0.00 C ATOM 1341 C GLU A 89 -2.642 8.848 16.023 1.00 0.00 C ATOM 1342 O GLU A 89 -2.339 7.801 16.596 1.00 0.00 O ATOM 1343 CB GLU A 89 -4.159 9.334 17.953 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.924 10.358 18.774 1.00 0.00 C ATOM 1345 CD GLU A 89 -4.012 11.242 19.601 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -3.064 10.709 20.215 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -4.246 12.468 19.635 1.00 0.00 O ATOM 0 H GLU A 89 -5.248 10.013 15.685 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.746 10.702 17.083 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.851 8.565 17.610 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.427 8.841 18.593 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.520 10.981 18.107 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.620 9.841 19.435 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.304 9.107 14.764 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.544 8.154 13.965 1.00 0.00 C ATOM 1356 C PHE A 90 -0.949 8.829 12.733 1.00 0.00 C ATOM 1357 O PHE A 90 -1.648 9.519 11.992 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.436 6.986 13.540 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.699 5.910 12.794 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -0.661 5.217 13.397 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -2.045 5.590 11.491 1.00 0.00 C ATOM 1362 CE1 PHE A 90 0.018 4.226 12.714 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -1.370 4.600 10.803 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.336 3.918 11.415 1.00 0.00 C ATOM 0 H PHE A 90 -2.545 9.969 14.275 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.728 7.774 14.579 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.899 6.551 14.426 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.243 7.365 12.913 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.380 5.454 14.412 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.852 6.121 11.007 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.825 3.693 13.195 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.650 4.360 9.788 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.195 3.145 10.879 1.00 0.00 H new ATOM 1374 N ASN A 91 0.347 8.625 12.521 1.00 0.00 N ATOM 1375 CA ASN A 91 1.037 9.215 11.380 1.00 0.00 C ATOM 1376 C ASN A 91 2.076 8.251 10.814 1.00 0.00 C ATOM 1377 O ASN A 91 2.836 7.635 11.560 1.00 0.00 O ATOM 1378 CB ASN A 91 1.711 10.527 11.787 1.00 0.00 C ATOM 1379 CG ASN A 91 1.758 11.530 10.651 1.00 0.00 C ATOM 1380 OD1 ASN A 91 1.223 11.285 9.569 1.00 0.00 O ATOM 1381 ND2 ASN A 91 2.399 12.668 10.892 1.00 0.00 N ATOM 0 H ASN A 91 0.940 8.056 13.124 1.00 0.00 H new ATOM 0 HA ASN A 91 0.297 9.419 10.606 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.174 10.962 12.630 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.726 10.321 12.128 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.463 13.381 10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.828 12.829 11.803 1.00 0.00 H new ATOM 1388 N TRP A 92 2.101 8.127 9.492 1.00 0.00 N ATOM 1389 CA TRP A 92 3.047 7.238 8.826 1.00 0.00 C ATOM 1390 C TRP A 92 4.471 7.504 9.301 1.00 0.00 C ATOM 1391 O TRP A 92 5.062 6.686 10.005 1.00 0.00 O ATOM 1392 CB TRP A 92 2.961 7.413 7.309 1.00 0.00 C ATOM 1393 CG TRP A 92 1.976 6.489 6.659 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.778 6.831 6.100 1.00 0.00 C ATOM 1395 CD2 TRP A 92 2.104 5.072 6.505 1.00 0.00 C ATOM 1396 NE1 TRP A 92 0.154 5.711 5.606 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.947 4.619 5.841 1.00 0.00 C ATOM 1398 CE3 TRP A 92 3.084 4.141 6.860 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.745 3.278 5.528 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.882 2.810 6.549 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.721 2.388 5.888 1.00 0.00 C ATOM 0 H TRP A 92 1.478 8.630 8.860 1.00 0.00 H new ATOM 0 HA TRP A 92 2.785 6.211 9.082 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.685 8.443 7.084 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.947 7.245 6.875 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.380 7.834 6.053 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.753 5.695 5.140 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.983 4.456 7.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.150 2.951 5.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.632 2.082 6.820 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.594 1.340 5.658 1.00 0.00 H new ATOM 1412 N GLN A 93 5.015 8.653 8.913 1.00 0.00 N ATOM 1413 CA GLN A 93 6.371 9.025 9.300 1.00 0.00 C ATOM 1414 C GLN A 93 6.596 8.789 10.790 1.00 0.00 C ATOM 1415 O GLN A 93 7.644 8.289 11.199 1.00 0.00 O ATOM 1416 CB GLN A 93 6.637 10.492 8.958 1.00 0.00 C ATOM 1417 CG GLN A 93 5.543 11.435 9.431 1.00 0.00 C ATOM 1418 CD GLN A 93 5.694 12.834 8.868 1.00 0.00 C ATOM 1419 OE1 GLN A 93 5.793 13.809 9.613 1.00 0.00 O ATOM 1420 NE2 GLN A 93 5.714 12.940 7.544 1.00 0.00 N ATOM 0 H GLN A 93 4.538 9.342 8.331 1.00 0.00 H new ATOM 0 HA GLN A 93 7.066 8.397 8.742 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.584 10.795 9.405 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.748 10.590 7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.572 11.034 9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.555 11.483 10.520 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.629 12.105 6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.815 13.856 7.107 1.00 0.00 H new ATOM 1429 N THR A 94 5.605 9.152 11.598 1.00 0.00 N ATOM 1430 CA THR A 94 5.695 8.981 13.043 1.00 0.00 C ATOM 1431 C THR A 94 5.756 7.505 13.419 1.00 0.00 C ATOM 1432 O THR A 94 6.447 7.124 14.364 1.00 0.00 O ATOM 1433 CB THR A 94 4.498 9.633 13.761 1.00 0.00 C ATOM 1434 OG1 THR A 94 4.412 11.019 13.410 1.00 0.00 O ATOM 1435 CG2 THR A 94 4.632 9.494 15.270 1.00 0.00 C ATOM 0 H THR A 94 4.730 9.566 11.276 1.00 0.00 H new ATOM 0 HA THR A 94 6.613 9.473 13.363 1.00 0.00 H new ATOM 0 HB THR A 94 3.589 9.122 13.444 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.565 11.387 13.737 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.776 9.962 15.756 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.668 8.438 15.536 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.548 9.983 15.600 1.00 0.00 H new ATOM 1443 N TYR A 95 5.030 6.679 12.674 1.00 0.00 N ATOM 1444 CA TYR A 95 5.001 5.244 12.931 1.00 0.00 C ATOM 1445 C TYR A 95 6.223 4.558 12.329 1.00 0.00 C ATOM 1446 O TYR A 95 6.616 3.472 12.759 1.00 0.00 O ATOM 1447 CB TYR A 95 3.723 4.628 12.360 1.00 0.00 C ATOM 1448 CG TYR A 95 3.751 3.117 12.304 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.271 2.373 13.355 1.00 0.00 C ATOM 1450 CD2 TYR A 95 3.257 2.435 11.199 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.300 0.993 13.307 1.00 0.00 C ATOM 1452 CE2 TYR A 95 3.280 1.054 11.143 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.803 0.338 12.200 1.00 0.00 C ATOM 1454 OH TYR A 95 3.829 -1.037 12.149 1.00 0.00 O ATOM 0 H TYR A 95 4.454 6.978 11.887 1.00 0.00 H new ATOM 0 HA TYR A 95 5.018 5.094 14.010 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.875 4.945 12.967 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.560 5.017 11.355 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.659 2.882 14.225 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.848 2.993 10.370 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.710 0.430 14.132 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.891 0.539 10.277 1.00 0.00 H new ATOM 0 HH TYR A 95 2.939 -1.372 11.912 1.00 0.00 H new ATOM 1464 N LEU A 96 6.820 5.198 11.330 1.00 0.00 N ATOM 1465 CA LEU A 96 7.999 4.651 10.667 1.00 0.00 C ATOM 1466 C LEU A 96 9.276 5.100 11.369 1.00 0.00 C ATOM 1467 O LEU A 96 10.340 4.508 11.185 1.00 0.00 O ATOM 1468 CB LEU A 96 8.030 5.085 9.200 1.00 0.00 C ATOM 1469 CG LEU A 96 6.757 4.823 8.395 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.589 5.870 7.305 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.784 3.425 7.794 1.00 0.00 C ATOM 0 H LEU A 96 6.507 6.096 10.961 1.00 0.00 H new ATOM 0 HA LEU A 96 7.942 3.564 10.717 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.246 6.153 9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.858 4.575 8.708 1.00 0.00 H new ATOM 0 HG LEU A 96 5.904 4.891 9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.678 5.667 6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.523 6.859 7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.446 5.835 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.870 3.256 7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.646 3.329 7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.855 2.687 8.593 1.00 0.00 H new ATOM 1483 N LYS A 97 9.164 6.149 12.176 1.00 0.00 N ATOM 1484 CA LYS A 97 10.308 6.677 12.910 1.00 0.00 C ATOM 1485 C LYS A 97 10.491 5.942 14.234 1.00 0.00 C ATOM 1486 O LYS A 97 11.617 5.699 14.672 1.00 0.00 O ATOM 1487 CB LYS A 97 10.129 8.175 13.167 1.00 0.00 C ATOM 1488 CG LYS A 97 9.309 8.485 14.407 1.00 0.00 C ATOM 1489 CD LYS A 97 10.181 8.563 15.648 1.00 0.00 C ATOM 1490 CE LYS A 97 9.483 9.310 16.775 1.00 0.00 C ATOM 1491 NZ LYS A 97 10.442 9.751 17.825 1.00 0.00 N ATOM 0 H LYS A 97 8.291 6.651 12.339 1.00 0.00 H new ATOM 0 HA LYS A 97 11.200 6.523 12.302 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.111 8.638 13.266 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.648 8.629 12.301 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.784 9.431 14.270 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.549 7.716 14.543 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.434 7.556 15.980 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.118 9.063 15.404 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.965 10.179 16.369 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.725 8.667 17.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.928 10.256 18.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.919 8.920 18.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.151 10.385 17.404 1.00 0.00 H new ATOM 1505 N THR A 98 9.378 5.587 14.868 1.00 0.00 N ATOM 1506 CA THR A 98 9.416 4.879 16.141 1.00 0.00 C ATOM 1507 C THR A 98 9.879 3.439 15.956 1.00 0.00 C ATOM 1508 O THR A 98 10.581 2.888 16.806 1.00 0.00 O ATOM 1509 CB THR A 98 8.036 4.878 16.825 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.163 4.452 18.186 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.068 3.963 16.090 1.00 0.00 C ATOM 0 H THR A 98 8.438 5.779 14.520 1.00 0.00 H new ATOM 0 HA THR A 98 10.127 5.408 16.775 1.00 0.00 H new ATOM 0 HB THR A 98 7.642 5.894 16.799 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.281 4.456 18.614 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.100 3.979 16.592 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.950 4.308 15.063 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.459 2.946 16.088 1.00 0.00 H new ATOM 1519 N CYS A 99 9.484 2.834 14.842 1.00 0.00 N ATOM 1520 CA CYS A 99 9.860 1.456 14.545 1.00 0.00 C ATOM 1521 C CYS A 99 11.096 1.409 13.653 1.00 0.00 C ATOM 1522 O CYS A 99 11.759 0.377 13.545 1.00 0.00 O ATOM 1523 CB CYS A 99 8.700 0.724 13.868 1.00 0.00 C ATOM 1524 SG CYS A 99 8.661 -1.055 14.192 1.00 0.00 S ATOM 0 H CYS A 99 8.903 3.276 14.129 1.00 0.00 H new ATOM 0 HA CYS A 99 10.095 0.959 15.486 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.761 1.164 14.204 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.761 0.885 12.792 1.00 0.00 H new ATOM 0 HG CYS A 99 7.644 -1.585 13.579 1.00 0.00 H new ATOM 1530 N LYS A 100 11.401 2.533 13.013 1.00 0.00 N ATOM 1531 CA LYS A 100 12.557 2.622 12.130 1.00 0.00 C ATOM 1532 C LYS A 100 12.382 1.719 10.913 1.00 0.00 C ATOM 1533 O LYS A 100 13.335 1.090 10.454 1.00 0.00 O ATOM 1534 CB LYS A 100 13.832 2.239 12.884 1.00 0.00 C ATOM 1535 CG LYS A 100 13.999 2.967 14.206 1.00 0.00 C ATOM 1536 CD LYS A 100 13.293 2.239 15.337 1.00 0.00 C ATOM 1537 CE LYS A 100 13.933 2.545 16.683 1.00 0.00 C ATOM 1538 NZ LYS A 100 15.267 1.899 16.822 1.00 0.00 N ATOM 0 H LYS A 100 10.862 3.396 13.090 1.00 0.00 H new ATOM 0 HA LYS A 100 12.642 3.653 11.787 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.826 1.165 13.069 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.695 2.449 12.252 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.060 3.061 14.439 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.601 3.978 14.118 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.243 2.529 15.358 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.323 1.165 15.154 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.038 3.624 16.798 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.278 2.201 17.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.519 1.836 17.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 15.234 0.943 16.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.981 2.466 16.321 1.00 0.00 H new ATOM 1552 N ALA A 101 11.160 1.662 10.394 1.00 0.00 N ATOM 1553 CA ALA A 101 10.862 0.839 9.229 1.00 0.00 C ATOM 1554 C ALA A 101 10.889 1.669 7.950 1.00 0.00 C ATOM 1555 O ALA A 101 10.796 2.896 7.994 1.00 0.00 O ATOM 1556 CB ALA A 101 9.510 0.162 9.393 1.00 0.00 C ATOM 0 H ALA A 101 10.360 2.176 10.762 1.00 0.00 H new ATOM 0 HA ALA A 101 11.632 0.072 9.150 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.300 -0.449 8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.525 -0.470 10.281 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.734 0.920 9.501 1.00 0.00 H new ATOM 1562 N GLN A 102 11.016 0.992 6.813 1.00 0.00 N ATOM 1563 CA GLN A 102 11.056 1.669 5.522 1.00 0.00 C ATOM 1564 C GLN A 102 9.799 1.370 4.712 1.00 0.00 C ATOM 1565 O GLN A 102 9.426 0.211 4.531 1.00 0.00 O ATOM 1566 CB GLN A 102 12.297 1.241 4.737 1.00 0.00 C ATOM 1567 CG GLN A 102 13.604 1.656 5.391 1.00 0.00 C ATOM 1568 CD GLN A 102 14.795 0.882 4.860 1.00 0.00 C ATOM 1569 OE1 GLN A 102 14.642 -0.195 4.284 1.00 0.00 O ATOM 1570 NE2 GLN A 102 15.989 1.429 5.051 1.00 0.00 N ATOM 0 H GLN A 102 11.093 -0.024 6.760 1.00 0.00 H new ATOM 0 HA GLN A 102 11.102 2.743 5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.287 0.157 4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.249 1.670 3.736 1.00 0.00 H new ATOM 0 HG2 GLN A 102 13.766 2.721 5.227 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.530 1.507 6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 102 16.069 2.324 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 102 16.827 0.955 4.715 1.00 0.00 H new ATOM 1579 N ALA A 103 9.149 2.423 4.227 1.00 0.00 N ATOM 1580 CA ALA A 103 7.935 2.273 3.434 1.00 0.00 C ATOM 1581 C ALA A 103 8.227 1.584 2.106 1.00 0.00 C ATOM 1582 O ALA A 103 9.354 1.622 1.611 1.00 0.00 O ATOM 1583 CB ALA A 103 7.289 3.630 3.197 1.00 0.00 C ATOM 0 H ALA A 103 9.443 3.389 4.369 1.00 0.00 H new ATOM 0 HA ALA A 103 7.241 1.645 3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.384 3.503 2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.035 4.084 4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.985 4.276 2.663 1.00 0.00 H new ATOM 1589 N ALA A 104 7.207 0.954 1.534 1.00 0.00 N ATOM 1590 CA ALA A 104 7.355 0.258 0.262 1.00 0.00 C ATOM 1591 C ALA A 104 7.654 1.237 -0.869 1.00 0.00 C ATOM 1592 O ALA A 104 7.155 2.362 -0.896 1.00 0.00 O ATOM 1593 CB ALA A 104 6.100 -0.544 -0.050 1.00 0.00 C ATOM 0 H ALA A 104 6.269 0.911 1.931 1.00 0.00 H new ATOM 0 HA ALA A 104 8.199 -0.426 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.225 -1.059 -1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.931 -1.277 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.244 0.128 -0.110 1.00 0.00 H new ATOM 1599 N PRO A 105 8.488 0.802 -1.825 1.00 0.00 N ATOM 1600 CA PRO A 105 8.872 1.625 -2.975 1.00 0.00 C ATOM 1601 C PRO A 105 7.716 1.841 -3.945 1.00 0.00 C ATOM 1602 O PRO A 105 6.778 1.044 -3.998 1.00 0.00 O ATOM 1603 CB PRO A 105 9.983 0.808 -3.640 1.00 0.00 C ATOM 1604 CG PRO A 105 9.711 -0.600 -3.237 1.00 0.00 C ATOM 1605 CD PRO A 105 9.120 -0.528 -1.856 1.00 0.00 C ATOM 0 HA PRO A 105 9.181 2.626 -2.675 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.962 0.920 -4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.968 1.133 -3.305 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.021 -1.079 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.627 -1.191 -3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.393 -1.323 -1.688 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.885 -0.628 -1.086 1.00 0.00 H new ATOM 1613 N LYS A 106 7.787 2.923 -4.713 1.00 0.00 N ATOM 1614 CA LYS A 106 6.748 3.244 -5.683 1.00 0.00 C ATOM 1615 C LYS A 106 6.853 2.345 -6.911 1.00 0.00 C ATOM 1616 O LYS A 106 5.849 2.029 -7.549 1.00 0.00 O ATOM 1617 CB LYS A 106 6.849 4.712 -6.103 1.00 0.00 C ATOM 1618 CG LYS A 106 8.177 5.071 -6.746 1.00 0.00 C ATOM 1619 CD LYS A 106 8.107 6.410 -7.460 1.00 0.00 C ATOM 1620 CE LYS A 106 7.627 6.254 -8.895 1.00 0.00 C ATOM 1621 NZ LYS A 106 8.628 5.546 -9.740 1.00 0.00 N ATOM 0 H LYS A 106 8.555 3.593 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 106 5.781 3.073 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.044 4.937 -6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.697 5.343 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.954 5.105 -5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.461 4.294 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.433 7.076 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.091 6.878 -7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.687 5.702 -8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.424 7.237 -9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.473 5.789 -10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.587 5.835 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.525 4.519 -9.613 1.00 0.00 H new ATOM 1635 N SER A 107 8.075 1.934 -7.235 1.00 0.00 N ATOM 1636 CA SER A 107 8.312 1.073 -8.387 1.00 0.00 C ATOM 1637 C SER A 107 7.325 -0.091 -8.407 1.00 0.00 C ATOM 1638 O SER A 107 6.910 -0.550 -9.472 1.00 0.00 O ATOM 1639 CB SER A 107 9.746 0.540 -8.367 1.00 0.00 C ATOM 1640 OG SER A 107 10.684 1.601 -8.382 1.00 0.00 O ATOM 0 H SER A 107 8.916 2.184 -6.715 1.00 0.00 H new ATOM 0 HA SER A 107 8.166 1.667 -9.289 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.898 -0.071 -7.477 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.909 -0.106 -9.229 1.00 0.00 H new ATOM 0 HG SER A 107 11.593 1.234 -8.367 1.00 0.00 H new ATOM 1646 N LEU A 108 6.953 -0.563 -7.223 1.00 0.00 N ATOM 1647 CA LEU A 108 6.015 -1.674 -7.102 1.00 0.00 C ATOM 1648 C LEU A 108 4.686 -1.340 -7.774 1.00 0.00 C ATOM 1649 O LEU A 108 4.097 -2.177 -8.458 1.00 0.00 O ATOM 1650 CB LEU A 108 5.783 -2.014 -5.629 1.00 0.00 C ATOM 1651 CG LEU A 108 6.827 -2.921 -4.977 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.570 -3.043 -3.483 1.00 0.00 C ATOM 1653 CD2 LEU A 108 6.827 -4.293 -5.635 1.00 0.00 C ATOM 0 H LEU A 108 7.286 -0.194 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 108 6.448 -2.539 -7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.737 -1.083 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.807 -2.491 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 108 7.810 -2.472 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.323 -3.692 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.623 -2.056 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.580 -3.468 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.576 -4.925 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.843 -4.750 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.061 -4.188 -6.694 1.00 0.00 H new ATOM 1665 N PHE A 109 4.222 -0.110 -7.576 1.00 0.00 N ATOM 1666 CA PHE A 109 2.964 0.335 -8.163 1.00 0.00 C ATOM 1667 C PHE A 109 3.215 1.191 -9.401 1.00 0.00 C ATOM 1668 O PHE A 109 2.623 2.258 -9.561 1.00 0.00 O ATOM 1669 CB PHE A 109 2.150 1.128 -7.138 1.00 0.00 C ATOM 1670 CG PHE A 109 2.273 0.599 -5.738 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.416 0.835 -4.991 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.244 -0.134 -5.167 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.531 0.349 -3.703 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.354 -0.623 -3.879 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.499 -0.380 -3.145 1.00 0.00 C ATOM 0 H PHE A 109 4.698 0.595 -7.014 1.00 0.00 H new ATOM 0 HA PHE A 109 2.399 -0.548 -8.461 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.474 2.169 -7.155 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.100 1.116 -7.432 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.226 1.405 -5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.346 -0.325 -5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.428 0.539 -3.132 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.546 -1.194 -3.447 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.587 -0.759 -2.138 1.00 0.00 H new ATOM 1685 N GLU A 110 4.097 0.714 -10.274 1.00 0.00 N ATOM 1686 CA GLU A 110 4.427 1.437 -11.497 1.00 0.00 C ATOM 1687 C GLU A 110 3.597 0.926 -12.672 1.00 0.00 C ATOM 1688 O GLU A 110 4.062 0.905 -13.811 1.00 0.00 O ATOM 1689 CB GLU A 110 5.918 1.296 -11.812 1.00 0.00 C ATOM 1690 CG GLU A 110 6.425 2.311 -12.822 1.00 0.00 C ATOM 1691 CD GLU A 110 7.813 1.980 -13.335 1.00 0.00 C ATOM 1692 OE1 GLU A 110 8.798 2.441 -12.721 1.00 0.00 O ATOM 1693 OE2 GLU A 110 7.914 1.261 -14.351 1.00 0.00 O ATOM 0 H GLU A 110 4.595 -0.168 -10.157 1.00 0.00 H new ATOM 0 HA GLU A 110 4.194 2.490 -11.341 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.487 1.400 -10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.107 0.292 -12.192 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.733 2.358 -13.663 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.437 3.300 -12.363 1.00 0.00 H new ATOM 1700 N ASN A 111 2.367 0.514 -12.384 1.00 0.00 N ATOM 1701 CA ASN A 111 1.472 0.002 -13.416 1.00 0.00 C ATOM 1702 C ASN A 111 0.460 1.064 -13.834 1.00 0.00 C ATOM 1703 O ASN A 111 0.160 1.218 -15.018 1.00 0.00 O ATOM 1704 CB ASN A 111 0.741 -1.245 -12.913 1.00 0.00 C ATOM 1705 CG ASN A 111 1.604 -2.490 -12.989 1.00 0.00 C ATOM 1706 OD1 ASN A 111 1.330 -3.401 -13.770 1.00 0.00 O ATOM 1707 ND2 ASN A 111 2.652 -2.534 -12.175 1.00 0.00 N ATOM 0 H ASN A 111 1.967 0.524 -11.446 1.00 0.00 H new ATOM 0 HA ASN A 111 2.074 -0.263 -14.285 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.426 -1.087 -11.882 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.163 -1.396 -13.503 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.268 -3.347 -12.181 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.841 -1.755 -11.544 1.00 0.00 H new