USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 657 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 71 MET CE :methyl -108:sc= -2.69! (180deg=-4.25!) USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= -0.951 USER MOD Set 2.1: A 30 CYS SG : rot -151:sc= -1.66 USER MOD Set 2.2: A 79 CYS SG : rot 119:sc= 1.65 USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.016) USER MOD Single : A 17 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.33) USER MOD Single : A 18 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.7) USER MOD Single : A 25 THR OG1 : rot 160:sc= -0.896 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.062 F(o=-1.1,f=-0.062) USER MOD Single : A 33 ASN : amide:sc= -1.14 K(o=-1.1,f=-11!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0091 USER MOD Single : A 57 GLN :FLIP amide:sc= -0.189 F(o=-0.73,f=-0.19) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 113:sc= -1.22 USER MOD Single : A 65 GLN : amide:sc= -0.0223 K(o=-0.022,f=-1.6) USER MOD Single : A 77 TYR OH : rot -23:sc= -0.458 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -89:sc= -1.28! USER MOD Single : A 83 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 86 THR OG1 : rot 60:sc= -0.209! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 164:sc= -5.95! (180deg=-7.5!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -14.075 16.197 4.530 1.00 0.00 N ATOM 81 CA ALA A 9 -13.407 16.176 3.235 1.00 0.00 C ATOM 82 C ALA A 9 -13.944 15.050 2.358 1.00 0.00 C ATOM 83 O ALA A 9 -14.224 13.954 2.841 1.00 0.00 O ATOM 84 CB ALA A 9 -11.903 16.032 3.420 1.00 0.00 C ATOM 0 HA ALA A 9 -13.612 17.121 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.416 16.018 2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.526 16.873 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.689 15.102 3.946 1.00 0.00 H new ATOM 90 N ARG A 10 -14.086 15.329 1.066 1.00 0.00 N ATOM 91 CA ARG A 10 -14.592 14.340 0.122 1.00 0.00 C ATOM 92 C ARG A 10 -13.546 14.019 -0.942 1.00 0.00 C ATOM 93 O ARG A 10 -12.858 14.910 -1.440 1.00 0.00 O ATOM 94 CB ARG A 10 -15.873 14.848 -0.544 1.00 0.00 C ATOM 95 CG ARG A 10 -15.670 16.103 -1.377 1.00 0.00 C ATOM 96 CD ARG A 10 -16.882 16.395 -2.247 1.00 0.00 C ATOM 97 NE ARG A 10 -16.534 17.192 -3.421 1.00 0.00 N ATOM 98 CZ ARG A 10 -15.999 16.680 -4.524 1.00 0.00 C ATOM 99 NH1 ARG A 10 -15.752 15.380 -4.603 1.00 0.00 N ATOM 100 NH2 ARG A 10 -15.710 17.470 -5.550 1.00 0.00 N ATOM 0 H ARG A 10 -13.858 16.232 0.649 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.815 13.428 0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.278 14.061 -1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.617 15.050 0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.480 16.951 -0.719 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.788 15.984 -2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.333 15.456 -2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.631 16.924 -1.659 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.711 18.196 -3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.973 14.770 -3.816 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.341 14.990 -5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.899 18.471 -5.492 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.299 17.077 -6.397 1.00 0.00 H new ATOM 114 N PHE A 11 -13.432 12.740 -1.285 1.00 0.00 N ATOM 115 CA PHE A 11 -12.469 12.301 -2.288 1.00 0.00 C ATOM 116 C PHE A 11 -12.819 12.867 -3.662 1.00 0.00 C ATOM 117 O PHE A 11 -13.758 12.408 -4.312 1.00 0.00 O ATOM 118 CB PHE A 11 -12.426 10.773 -2.349 1.00 0.00 C ATOM 119 CG PHE A 11 -11.745 10.145 -1.167 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.368 9.985 -1.148 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.480 9.715 -0.074 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.739 9.406 -0.062 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.857 9.137 1.015 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.484 8.983 1.022 1.00 0.00 C ATOM 0 H PHE A 11 -13.994 11.990 -0.883 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.486 12.674 -2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.445 10.391 -2.416 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.910 10.468 -3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.780 10.317 -1.991 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.554 9.833 -0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.666 9.284 -0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.442 8.806 1.860 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.994 8.533 1.873 1.00 0.00 H new ATOM 134 N ILE A 12 -12.056 13.865 -4.095 1.00 0.00 N ATOM 135 CA ILE A 12 -12.284 14.492 -5.391 1.00 0.00 C ATOM 136 C ILE A 12 -11.893 13.558 -6.531 1.00 0.00 C ATOM 137 O ILE A 12 -12.489 13.593 -7.607 1.00 0.00 O ATOM 138 CB ILE A 12 -11.495 15.808 -5.526 1.00 0.00 C ATOM 139 CG1 ILE A 12 -9.995 15.545 -5.377 1.00 0.00 C ATOM 140 CG2 ILE A 12 -11.967 16.818 -4.491 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.131 16.699 -5.834 1.00 0.00 C ATOM 0 H ILE A 12 -11.275 14.256 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.350 14.709 -5.453 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.676 16.223 -6.518 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.774 15.328 -4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.732 14.656 -5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.400 17.742 -4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.027 17.023 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.813 16.413 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.080 16.442 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.323 16.902 -6.888 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.366 17.585 -5.245 1.00 0.00 H new ATOM 153 N GLU A 13 -10.889 12.722 -6.286 1.00 0.00 N ATOM 154 CA GLU A 13 -10.419 11.778 -7.292 1.00 0.00 C ATOM 155 C GLU A 13 -10.334 10.367 -6.717 1.00 0.00 C ATOM 156 O GLU A 13 -9.733 10.150 -5.664 1.00 0.00 O ATOM 157 CB GLU A 13 -9.051 12.206 -7.827 1.00 0.00 C ATOM 158 CG GLU A 13 -9.125 13.293 -8.887 1.00 0.00 C ATOM 159 CD GLU A 13 -10.266 13.080 -9.862 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.401 11.952 -10.382 1.00 0.00 O ATOM 161 OE2 GLU A 13 -11.025 14.041 -10.105 1.00 0.00 O ATOM 0 H GLU A 13 -10.386 12.680 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.137 11.775 -8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.440 12.561 -6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.545 11.336 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.243 14.262 -8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.184 13.325 -9.436 1.00 0.00 H new ATOM 168 N ASP A 14 -10.938 9.412 -7.414 1.00 0.00 N ATOM 169 CA ASP A 14 -10.930 8.022 -6.974 1.00 0.00 C ATOM 170 C ASP A 14 -9.708 7.287 -7.515 1.00 0.00 C ATOM 171 O ASP A 14 -9.381 7.391 -8.697 1.00 0.00 O ATOM 172 CB ASP A 14 -12.208 7.314 -7.427 1.00 0.00 C ATOM 173 CG ASP A 14 -12.679 7.784 -8.789 1.00 0.00 C ATOM 174 OD1 ASP A 14 -11.863 7.773 -9.735 1.00 0.00 O ATOM 175 OD2 ASP A 14 -13.862 8.165 -8.909 1.00 0.00 O ATOM 0 H ASP A 14 -11.440 9.575 -8.287 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.885 8.012 -5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.033 6.239 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.995 7.488 -6.694 1.00 0.00 H new ATOM 180 N VAL A 15 -9.035 6.545 -6.641 1.00 0.00 N ATOM 181 CA VAL A 15 -7.848 5.793 -7.031 1.00 0.00 C ATOM 182 C VAL A 15 -8.143 4.874 -8.211 1.00 0.00 C ATOM 183 O VAL A 15 -9.300 4.576 -8.506 1.00 0.00 O ATOM 184 CB VAL A 15 -7.308 4.950 -5.860 1.00 0.00 C ATOM 185 CG1 VAL A 15 -6.952 5.841 -4.680 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.324 3.893 -5.453 1.00 0.00 C ATOM 0 H VAL A 15 -9.291 6.449 -5.658 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.092 6.523 -7.323 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.401 4.443 -6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.572 5.228 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.187 6.557 -4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.841 6.378 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.927 3.306 -4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.250 4.378 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.525 3.236 -6.299 1.00 0.00 H new ATOM 196 N LYS A 16 -7.088 4.426 -8.883 1.00 0.00 N ATOM 197 CA LYS A 16 -7.231 3.539 -10.031 1.00 0.00 C ATOM 198 C LYS A 16 -6.982 2.088 -9.631 1.00 0.00 C ATOM 199 O LYS A 16 -6.201 1.810 -8.723 1.00 0.00 O ATOM 200 CB LYS A 16 -6.260 3.947 -11.141 1.00 0.00 C ATOM 201 CG LYS A 16 -6.299 5.429 -11.469 1.00 0.00 C ATOM 202 CD LYS A 16 -7.672 5.856 -11.962 1.00 0.00 C ATOM 203 CE LYS A 16 -7.636 7.245 -12.579 1.00 0.00 C ATOM 204 NZ LYS A 16 -7.042 7.231 -13.944 1.00 0.00 N ATOM 0 H LYS A 16 -6.123 4.663 -8.652 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.253 3.626 -10.401 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.247 3.676 -10.844 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.491 3.378 -12.042 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.034 6.006 -10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.552 5.654 -12.230 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.034 5.139 -12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.378 5.844 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.648 7.647 -12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.059 7.912 -11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.097 8.184 -14.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.046 6.936 -13.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.567 6.563 -14.544 1.00 0.00 H new ATOM 218 N ASN A 17 -7.651 1.167 -10.318 1.00 0.00 N ATOM 219 CA ASN A 17 -7.502 -0.256 -10.034 1.00 0.00 C ATOM 220 C ASN A 17 -6.030 -0.628 -9.881 1.00 0.00 C ATOM 221 O ASN A 17 -5.192 -0.228 -10.688 1.00 0.00 O ATOM 222 CB ASN A 17 -8.137 -1.089 -11.150 1.00 0.00 C ATOM 223 CG ASN A 17 -9.388 -0.443 -11.713 1.00 0.00 C ATOM 224 OD1 ASN A 17 -9.469 -0.160 -12.909 1.00 0.00 O ATOM 225 ND2 ASN A 17 -10.370 -0.206 -10.852 1.00 0.00 N ATOM 0 H ASN A 17 -8.301 1.381 -11.075 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.012 -0.470 -9.095 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.412 -1.230 -11.952 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.384 -2.079 -10.765 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.236 0.227 -11.173 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.259 -0.457 -9.870 1.00 0.00 H new ATOM 232 N GLN A 18 -5.725 -1.397 -8.840 1.00 0.00 N ATOM 233 CA GLN A 18 -4.355 -1.823 -8.581 1.00 0.00 C ATOM 234 C GLN A 18 -4.057 -3.148 -9.275 1.00 0.00 C ATOM 235 O GLN A 18 -4.884 -4.060 -9.272 1.00 0.00 O ATOM 236 CB GLN A 18 -4.115 -1.955 -7.077 1.00 0.00 C ATOM 237 CG GLN A 18 -2.673 -1.706 -6.666 1.00 0.00 C ATOM 238 CD GLN A 18 -2.118 -0.417 -7.238 1.00 0.00 C ATOM 239 OE1 GLN A 18 -1.039 -0.401 -7.831 1.00 0.00 O ATOM 240 NE2 GLN A 18 -2.854 0.674 -7.063 1.00 0.00 N ATOM 0 H GLN A 18 -6.408 -1.737 -8.163 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.683 -1.065 -8.983 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.760 -1.251 -6.552 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.407 -2.955 -6.757 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.610 -1.673 -5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.056 -2.541 -6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.742 0.615 -6.565 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.531 1.571 -7.426 1.00 0.00 H new ATOM 249 N GLU A 19 -2.871 -3.247 -9.867 1.00 0.00 N ATOM 250 CA GLU A 19 -2.466 -4.461 -10.565 1.00 0.00 C ATOM 251 C GLU A 19 -0.949 -4.627 -10.533 1.00 0.00 C ATOM 252 O GLU A 19 -0.205 -3.697 -10.844 1.00 0.00 O ATOM 253 CB GLU A 19 -2.955 -4.431 -12.015 1.00 0.00 C ATOM 254 CG GLU A 19 -2.766 -5.747 -12.749 1.00 0.00 C ATOM 255 CD GLU A 19 -3.144 -5.657 -14.215 1.00 0.00 C ATOM 256 OE1 GLU A 19 -4.307 -5.307 -14.507 1.00 0.00 O ATOM 257 OE2 GLU A 19 -2.278 -5.938 -15.070 1.00 0.00 O ATOM 0 H GLU A 19 -2.175 -2.502 -9.877 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.919 -5.310 -10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.012 -4.167 -12.027 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.424 -3.646 -12.552 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.725 -6.060 -12.665 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.370 -6.517 -12.269 1.00 0.00 H new ATOM 264 N ALA A 20 -0.498 -5.818 -10.153 1.00 0.00 N ATOM 265 CA ALA A 20 0.929 -6.107 -10.080 1.00 0.00 C ATOM 266 C ALA A 20 1.179 -7.605 -9.939 1.00 0.00 C ATOM 267 O ALA A 20 0.327 -8.342 -9.445 1.00 0.00 O ATOM 268 CB ALA A 20 1.562 -5.353 -8.920 1.00 0.00 C ATOM 0 H ALA A 20 -1.100 -6.598 -9.891 1.00 0.00 H new ATOM 0 HA ALA A 20 1.390 -5.774 -11.010 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.628 -5.578 -8.878 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.423 -4.281 -9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.089 -5.658 -7.986 1.00 0.00 H new ATOM 274 N ARG A 21 2.353 -8.048 -10.377 1.00 0.00 N ATOM 275 CA ARG A 21 2.715 -9.458 -10.302 1.00 0.00 C ATOM 276 C ARG A 21 3.103 -9.844 -8.877 1.00 0.00 C ATOM 277 O ARG A 21 3.663 -9.036 -8.137 1.00 0.00 O ATOM 278 CB ARG A 21 3.870 -9.763 -11.257 1.00 0.00 C ATOM 279 CG ARG A 21 3.436 -9.920 -12.706 1.00 0.00 C ATOM 280 CD ARG A 21 3.082 -11.363 -13.027 1.00 0.00 C ATOM 281 NE ARG A 21 2.349 -11.479 -14.285 1.00 0.00 N ATOM 282 CZ ARG A 21 2.321 -12.586 -15.020 1.00 0.00 C ATOM 283 NH1 ARG A 21 2.981 -13.665 -14.624 1.00 0.00 N ATOM 284 NH2 ARG A 21 1.631 -12.614 -16.153 1.00 0.00 N ATOM 0 H ARG A 21 3.070 -7.450 -10.788 1.00 0.00 H new ATOM 0 HA ARG A 21 1.846 -10.046 -10.596 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.606 -8.962 -11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.366 -10.678 -10.934 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.575 -9.281 -12.900 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.237 -9.585 -13.365 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.995 -11.956 -13.083 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.481 -11.778 -12.218 1.00 0.00 H new ATOM 0 HE ARG A 21 1.830 -10.666 -14.618 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.512 -13.647 -13.753 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.958 -14.513 -15.190 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.122 -11.786 -16.460 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.610 -13.464 -16.716 1.00 0.00 H new ATOM 298 N GLU A 22 2.802 -11.083 -8.502 1.00 0.00 N ATOM 299 CA GLU A 22 3.119 -11.574 -7.166 1.00 0.00 C ATOM 300 C GLU A 22 4.534 -11.172 -6.760 1.00 0.00 C ATOM 301 O GLU A 22 5.458 -11.209 -7.571 1.00 0.00 O ATOM 302 CB GLU A 22 2.974 -13.097 -7.111 1.00 0.00 C ATOM 303 CG GLU A 22 1.581 -13.562 -6.720 1.00 0.00 C ATOM 304 CD GLU A 22 1.498 -15.064 -6.536 1.00 0.00 C ATOM 305 OE1 GLU A 22 2.139 -15.795 -7.320 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.792 -15.509 -5.607 1.00 0.00 O ATOM 0 H GLU A 22 2.340 -11.765 -9.104 1.00 0.00 H new ATOM 0 HA GLU A 22 2.417 -11.123 -6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.226 -13.513 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.695 -13.497 -6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.284 -13.069 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.871 -13.254 -7.487 1.00 0.00 H new ATOM 313 N GLY A 23 4.694 -10.786 -5.498 1.00 0.00 N ATOM 314 CA GLY A 23 5.998 -10.381 -5.005 1.00 0.00 C ATOM 315 C GLY A 23 6.330 -8.945 -5.357 1.00 0.00 C ATOM 316 O GLY A 23 7.496 -8.598 -5.542 1.00 0.00 O ATOM 0 H GLY A 23 3.944 -10.746 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.028 -10.503 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.761 -11.039 -5.421 1.00 0.00 H new ATOM 320 N ALA A 24 5.303 -8.108 -5.452 1.00 0.00 N ATOM 321 CA ALA A 24 5.491 -6.701 -5.784 1.00 0.00 C ATOM 322 C ALA A 24 4.971 -5.799 -4.670 1.00 0.00 C ATOM 323 O ALA A 24 4.549 -6.277 -3.616 1.00 0.00 O ATOM 324 CB ALA A 24 4.800 -6.372 -7.099 1.00 0.00 C ATOM 0 H ALA A 24 4.331 -8.380 -5.304 1.00 0.00 H new ATOM 0 HA ALA A 24 6.560 -6.519 -5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.949 -5.318 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.222 -6.985 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.733 -6.577 -7.011 1.00 0.00 H new ATOM 330 N THR A 25 5.003 -4.492 -4.909 1.00 0.00 N ATOM 331 CA THR A 25 4.537 -3.523 -3.925 1.00 0.00 C ATOM 332 C THR A 25 3.454 -2.624 -4.510 1.00 0.00 C ATOM 333 O THR A 25 3.747 -1.671 -5.230 1.00 0.00 O ATOM 334 CB THR A 25 5.693 -2.646 -3.409 1.00 0.00 C ATOM 335 OG1 THR A 25 6.758 -3.473 -2.927 1.00 0.00 O ATOM 336 CG2 THR A 25 5.217 -1.724 -2.296 1.00 0.00 C ATOM 0 H THR A 25 5.347 -4.080 -5.776 1.00 0.00 H new ATOM 0 HA THR A 25 4.123 -4.092 -3.092 1.00 0.00 H new ATOM 0 HB THR A 25 6.054 -2.035 -4.236 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.590 -2.955 -2.904 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.050 -1.114 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.426 -1.076 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.833 -2.321 -1.469 1.00 0.00 H new ATOM 344 N ALA A 26 2.200 -2.933 -4.194 1.00 0.00 N ATOM 345 CA ALA A 26 1.073 -2.151 -4.686 1.00 0.00 C ATOM 346 C ALA A 26 1.212 -0.683 -4.297 1.00 0.00 C ATOM 347 O ALA A 26 1.896 -0.349 -3.330 1.00 0.00 O ATOM 348 CB ALA A 26 -0.235 -2.718 -4.156 1.00 0.00 C ATOM 0 H ALA A 26 1.940 -3.720 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 26 1.068 -2.213 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.068 -2.124 -4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.346 -3.750 -4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.230 -2.687 -3.066 1.00 0.00 H new ATOM 354 N VAL A 27 0.559 0.190 -5.057 1.00 0.00 N ATOM 355 CA VAL A 27 0.610 1.623 -4.791 1.00 0.00 C ATOM 356 C VAL A 27 -0.722 2.290 -5.118 1.00 0.00 C ATOM 357 O VAL A 27 -1.086 2.434 -6.286 1.00 0.00 O ATOM 358 CB VAL A 27 1.726 2.305 -5.603 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.679 3.814 -5.414 1.00 0.00 C ATOM 360 CG2 VAL A 27 3.087 1.753 -5.206 1.00 0.00 C ATOM 0 H VAL A 27 -0.011 -0.070 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 27 0.821 1.741 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 27 1.565 2.090 -6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.475 4.279 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.714 4.193 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.814 4.053 -4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.864 2.246 -5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.259 1.936 -4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.115 0.680 -5.398 1.00 0.00 H new ATOM 370 N LEU A 28 -1.444 2.696 -4.080 1.00 0.00 N ATOM 371 CA LEU A 28 -2.737 3.350 -4.257 1.00 0.00 C ATOM 372 C LEU A 28 -2.647 4.835 -3.920 1.00 0.00 C ATOM 373 O LEU A 28 -2.397 5.206 -2.773 1.00 0.00 O ATOM 374 CB LEU A 28 -3.794 2.679 -3.378 1.00 0.00 C ATOM 375 CG LEU A 28 -4.298 1.317 -3.856 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.710 0.454 -2.673 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.461 1.489 -4.823 1.00 0.00 C ATOM 0 H LEU A 28 -1.157 2.584 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.027 3.251 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.382 2.560 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.648 3.351 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.485 0.814 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.066 -0.511 -3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.853 0.303 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.507 0.951 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.807 0.510 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.276 2.012 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.134 2.068 -5.686 1.00 0.00 H new ATOM 389 N GLN A 29 -2.854 5.678 -4.926 1.00 0.00 N ATOM 390 CA GLN A 29 -2.797 7.122 -4.735 1.00 0.00 C ATOM 391 C GLN A 29 -4.171 7.753 -4.938 1.00 0.00 C ATOM 392 O GLN A 29 -4.952 7.304 -5.778 1.00 0.00 O ATOM 393 CB GLN A 29 -1.789 7.747 -5.701 1.00 0.00 C ATOM 394 CG GLN A 29 -0.355 7.307 -5.451 1.00 0.00 C ATOM 395 CD GLN A 29 0.586 7.729 -6.562 1.00 0.00 C ATOM 396 OE1 GLN A 29 1.477 6.827 -6.958 1.00 0.00 O flip ATOM 397 NE2 GLN A 29 0.514 8.853 -7.060 1.00 0.00 N flip ATOM 0 H GLN A 29 -3.063 5.386 -5.881 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.476 7.314 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.067 7.487 -6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.847 8.833 -5.621 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.009 7.728 -4.507 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.325 6.222 -5.346 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.186 9.515 -6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.154 9.122 -7.807 1.00 0.00 H new ATOM 406 N CYS A 30 -4.459 8.794 -4.165 1.00 0.00 N ATOM 407 CA CYS A 30 -5.740 9.485 -4.260 1.00 0.00 C ATOM 408 C CYS A 30 -5.575 10.976 -3.986 1.00 0.00 C ATOM 409 O CYS A 30 -4.462 11.459 -3.778 1.00 0.00 O ATOM 410 CB CYS A 30 -6.743 8.882 -3.275 1.00 0.00 C ATOM 411 SG CYS A 30 -6.568 9.486 -1.580 1.00 0.00 S ATOM 0 H CYS A 30 -3.823 9.178 -3.466 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.118 9.360 -5.275 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.753 9.098 -3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.630 7.798 -3.276 1.00 0.00 H new ATOM 0 HG CYS A 30 -6.964 8.568 -0.749 1.00 0.00 H new ATOM 417 N GLU A 31 -6.689 11.701 -3.989 1.00 0.00 N ATOM 418 CA GLU A 31 -6.666 13.138 -3.743 1.00 0.00 C ATOM 419 C GLU A 31 -7.918 13.582 -2.992 1.00 0.00 C ATOM 420 O GLU A 31 -8.989 12.992 -3.145 1.00 0.00 O ATOM 421 CB GLU A 31 -6.552 13.902 -5.064 1.00 0.00 C ATOM 422 CG GLU A 31 -5.960 15.293 -4.913 1.00 0.00 C ATOM 423 CD GLU A 31 -5.523 15.887 -6.238 1.00 0.00 C ATOM 424 OE1 GLU A 31 -6.099 15.507 -7.279 1.00 0.00 O ATOM 425 OE2 GLU A 31 -4.605 16.734 -6.234 1.00 0.00 O ATOM 0 H GLU A 31 -7.619 11.317 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.796 13.361 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.935 13.327 -5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.542 13.984 -5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.697 15.949 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.105 15.249 -4.239 1.00 0.00 H new ATOM 432 N LEU A 32 -7.776 14.624 -2.181 1.00 0.00 N ATOM 433 CA LEU A 32 -8.895 15.147 -1.405 1.00 0.00 C ATOM 434 C LEU A 32 -9.143 16.617 -1.730 1.00 0.00 C ATOM 435 O LEU A 32 -8.236 17.329 -2.160 1.00 0.00 O ATOM 436 CB LEU A 32 -8.624 14.983 0.092 1.00 0.00 C ATOM 437 CG LEU A 32 -8.474 13.546 0.593 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.534 13.493 1.788 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.832 12.962 0.954 1.00 0.00 C ATOM 0 H LEU A 32 -6.897 15.123 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.787 14.579 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.713 15.529 0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.438 15.455 0.642 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.044 12.945 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.439 12.463 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.554 13.870 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.935 14.108 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.706 11.939 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.290 13.564 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.475 12.964 0.074 1.00 0.00 H new ATOM 451 N ASN A 33 -10.376 17.064 -1.519 1.00 0.00 N ATOM 452 CA ASN A 33 -10.743 18.450 -1.788 1.00 0.00 C ATOM 453 C ASN A 33 -10.079 19.393 -0.789 1.00 0.00 C ATOM 454 O ASN A 33 -9.914 20.582 -1.057 1.00 0.00 O ATOM 455 CB ASN A 33 -12.263 18.617 -1.732 1.00 0.00 C ATOM 456 CG ASN A 33 -12.841 18.204 -0.392 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.235 17.424 0.343 1.00 0.00 O ATOM 458 ND2 ASN A 33 -14.018 18.726 -0.070 1.00 0.00 N ATOM 0 H ASN A 33 -11.138 16.487 -1.163 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.393 18.705 -2.788 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.519 19.658 -1.930 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.721 18.021 -2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.457 18.485 0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.483 19.369 -0.711 1.00 0.00 H new ATOM 465 N SER A 34 -9.700 18.852 0.365 1.00 0.00 N ATOM 466 CA SER A 34 -9.057 19.644 1.406 1.00 0.00 C ATOM 467 C SER A 34 -8.138 18.776 2.261 1.00 0.00 C ATOM 468 O SER A 34 -8.376 17.580 2.428 1.00 0.00 O ATOM 469 CB SER A 34 -10.110 20.316 2.289 1.00 0.00 C ATOM 470 OG SER A 34 -9.538 21.356 3.063 1.00 0.00 O ATOM 0 H SER A 34 -9.827 17.868 0.602 1.00 0.00 H new ATOM 0 HA SER A 34 -8.454 20.413 0.922 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.908 20.719 1.666 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.563 19.575 2.948 1.00 0.00 H new ATOM 0 HG SER A 34 -10.232 21.771 3.617 1.00 0.00 H new ATOM 476 N ALA A 35 -7.089 19.388 2.800 1.00 0.00 N ATOM 477 CA ALA A 35 -6.136 18.672 3.639 1.00 0.00 C ATOM 478 C ALA A 35 -6.847 17.921 4.759 1.00 0.00 C ATOM 479 O ALA A 35 -7.453 18.529 5.640 1.00 0.00 O ATOM 480 CB ALA A 35 -5.112 19.639 4.216 1.00 0.00 C ATOM 0 H ALA A 35 -6.878 20.377 2.671 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.620 17.940 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.406 19.092 4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.574 20.127 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.621 20.392 4.818 1.00 0.00 H new ATOM 486 N ALA A 36 -6.768 16.595 4.718 1.00 0.00 N ATOM 487 CA ALA A 36 -7.403 15.760 5.731 1.00 0.00 C ATOM 488 C ALA A 36 -6.848 14.340 5.699 1.00 0.00 C ATOM 489 O ALA A 36 -6.408 13.843 4.662 1.00 0.00 O ATOM 490 CB ALA A 36 -8.911 15.744 5.531 1.00 0.00 C ATOM 0 H ALA A 36 -6.271 16.076 3.994 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.181 16.186 6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.373 15.117 6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.300 16.759 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.143 15.344 4.544 1.00 0.00 H new ATOM 496 N PRO A 37 -6.867 13.670 6.861 1.00 0.00 N ATOM 497 CA PRO A 37 -6.369 12.298 6.992 1.00 0.00 C ATOM 498 C PRO A 37 -7.263 11.287 6.281 1.00 0.00 C ATOM 499 O PRO A 37 -8.348 11.626 5.810 1.00 0.00 O ATOM 500 CB PRO A 37 -6.386 12.057 8.503 1.00 0.00 C ATOM 501 CG PRO A 37 -7.426 12.988 9.024 1.00 0.00 C ATOM 502 CD PRO A 37 -7.378 14.201 8.136 1.00 0.00 C ATOM 0 HA PRO A 37 -5.385 12.176 6.539 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.630 11.021 8.736 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.412 12.263 8.948 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.412 12.525 8.999 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.226 13.256 10.061 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.363 14.652 8.018 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.722 14.971 8.542 1.00 0.00 H new ATOM 510 N VAL A 38 -6.800 10.043 6.209 1.00 0.00 N ATOM 511 CA VAL A 38 -7.558 8.982 5.557 1.00 0.00 C ATOM 512 C VAL A 38 -7.228 7.621 6.160 1.00 0.00 C ATOM 513 O VAL A 38 -6.335 7.503 6.999 1.00 0.00 O ATOM 514 CB VAL A 38 -7.279 8.942 4.043 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.660 10.264 3.394 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.818 8.610 3.779 1.00 0.00 C ATOM 0 H VAL A 38 -5.904 9.745 6.594 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.613 9.201 5.718 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.892 8.157 3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.456 10.216 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.721 10.455 3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.076 11.070 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.639 8.586 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.184 9.370 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.583 7.636 4.208 1.00 0.00 H new ATOM 526 N GLU A 39 -7.954 6.596 5.725 1.00 0.00 N ATOM 527 CA GLU A 39 -7.737 5.242 6.223 1.00 0.00 C ATOM 528 C GLU A 39 -7.880 4.220 5.099 1.00 0.00 C ATOM 529 O GLU A 39 -8.893 4.187 4.401 1.00 0.00 O ATOM 530 CB GLU A 39 -8.727 4.923 7.345 1.00 0.00 C ATOM 531 CG GLU A 39 -8.323 3.727 8.191 1.00 0.00 C ATOM 532 CD GLU A 39 -7.574 2.676 7.395 1.00 0.00 C ATOM 533 OE1 GLU A 39 -8.234 1.782 6.825 1.00 0.00 O ATOM 534 OE2 GLU A 39 -6.328 2.747 7.343 1.00 0.00 O ATOM 0 H GLU A 39 -8.696 6.677 5.030 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.722 5.185 6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.827 5.796 7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.708 4.735 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.698 4.066 9.017 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.215 3.279 8.629 1.00 0.00 H new ATOM 541 N TRP A 40 -6.858 3.389 4.930 1.00 0.00 N ATOM 542 CA TRP A 40 -6.868 2.366 3.891 1.00 0.00 C ATOM 543 C TRP A 40 -7.379 1.038 4.439 1.00 0.00 C ATOM 544 O TRP A 40 -6.709 0.388 5.242 1.00 0.00 O ATOM 545 CB TRP A 40 -5.465 2.186 3.309 1.00 0.00 C ATOM 546 CG TRP A 40 -4.973 3.388 2.562 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.224 4.414 3.063 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.196 3.688 1.180 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.969 5.335 2.076 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.553 4.913 0.911 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.874 3.042 0.144 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.571 5.501 -0.351 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.892 3.627 -1.108 1.00 0.00 C ATOM 554 CH2 TRP A 40 -5.243 4.846 -1.347 1.00 0.00 C ATOM 0 H TRP A 40 -6.012 3.404 5.499 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.542 2.694 3.100 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.770 1.960 4.118 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.465 1.326 2.639 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.882 4.490 4.085 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.432 6.194 2.192 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.376 2.102 0.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.072 6.441 -0.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.415 3.137 -1.916 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.274 5.277 -2.337 1.00 0.00 H new ATOM 565 N ARG A 41 -8.569 0.640 4.000 1.00 0.00 N ATOM 566 CA ARG A 41 -9.170 -0.610 4.448 1.00 0.00 C ATOM 567 C ARG A 41 -8.989 -1.706 3.402 1.00 0.00 C ATOM 568 O ARG A 41 -8.336 -1.501 2.379 1.00 0.00 O ATOM 569 CB ARG A 41 -10.658 -0.410 4.741 1.00 0.00 C ATOM 570 CG ARG A 41 -10.950 0.803 5.609 1.00 0.00 C ATOM 571 CD ARG A 41 -12.444 1.052 5.733 1.00 0.00 C ATOM 572 NE ARG A 41 -12.779 1.775 6.957 1.00 0.00 N ATOM 573 CZ ARG A 41 -12.972 1.184 8.131 1.00 0.00 C ATOM 574 NH1 ARG A 41 -12.862 -0.133 8.239 1.00 0.00 N ATOM 575 NH2 ARG A 41 -13.273 1.910 9.200 1.00 0.00 N ATOM 0 H ARG A 41 -9.136 1.166 3.334 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.665 -0.919 5.364 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.195 -0.309 3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.045 -1.301 5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.521 0.654 6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.468 1.682 5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.789 1.621 4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.973 0.099 5.719 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.870 2.790 6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.629 -0.694 7.420 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.011 -0.585 9.141 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.357 2.924 9.121 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.421 1.455 10.101 1.00 0.00 H new ATOM 589 N LYS A 42 -9.573 -2.870 3.665 1.00 0.00 N ATOM 590 CA LYS A 42 -9.478 -3.999 2.747 1.00 0.00 C ATOM 591 C LYS A 42 -10.435 -5.114 3.155 1.00 0.00 C ATOM 592 O LYS A 42 -10.438 -5.553 4.304 1.00 0.00 O ATOM 593 CB LYS A 42 -8.044 -4.532 2.708 1.00 0.00 C ATOM 594 CG LYS A 42 -7.748 -5.394 1.492 1.00 0.00 C ATOM 595 CD LYS A 42 -6.700 -6.450 1.799 1.00 0.00 C ATOM 596 CE LYS A 42 -6.834 -7.652 0.877 1.00 0.00 C ATOM 597 NZ LYS A 42 -7.766 -8.675 1.430 1.00 0.00 N ATOM 0 H LYS A 42 -10.118 -3.056 4.507 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.757 -3.651 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.352 -3.690 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.857 -5.115 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.665 -5.877 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.401 -4.763 0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.705 -6.018 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.799 -6.772 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.193 -7.323 -0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.853 -8.101 0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.830 -9.478 0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.411 -9.008 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.709 -8.254 1.555 1.00 0.00 H new ATOM 611 N GLY A 43 -11.246 -5.570 2.205 1.00 0.00 N ATOM 612 CA GLY A 43 -12.196 -6.631 2.486 1.00 0.00 C ATOM 613 C GLY A 43 -12.852 -6.477 3.843 1.00 0.00 C ATOM 614 O GLY A 43 -12.903 -7.425 4.626 1.00 0.00 O ATOM 0 H GLY A 43 -11.262 -5.224 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.965 -6.640 1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.686 -7.593 2.440 1.00 0.00 H new ATOM 618 N SER A 44 -13.355 -5.279 4.124 1.00 0.00 N ATOM 619 CA SER A 44 -14.006 -5.003 5.398 1.00 0.00 C ATOM 620 C SER A 44 -13.014 -5.117 6.552 1.00 0.00 C ATOM 621 O SER A 44 -13.255 -5.835 7.522 1.00 0.00 O ATOM 622 CB SER A 44 -15.174 -5.966 5.618 1.00 0.00 C ATOM 623 OG SER A 44 -16.371 -5.453 5.058 1.00 0.00 O ATOM 0 H SER A 44 -13.324 -4.484 3.486 1.00 0.00 H new ATOM 0 HA SER A 44 -14.387 -3.982 5.369 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.943 -6.932 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.312 -6.137 6.686 1.00 0.00 H new ATOM 0 HG SER A 44 -17.102 -6.088 5.211 1.00 0.00 H new ATOM 629 N GLU A 45 -11.898 -4.404 6.437 1.00 0.00 N ATOM 630 CA GLU A 45 -10.869 -4.427 7.470 1.00 0.00 C ATOM 631 C GLU A 45 -10.004 -3.171 7.404 1.00 0.00 C ATOM 632 O GLU A 45 -9.646 -2.705 6.321 1.00 0.00 O ATOM 633 CB GLU A 45 -9.991 -5.671 7.320 1.00 0.00 C ATOM 634 CG GLU A 45 -8.696 -5.416 6.567 1.00 0.00 C ATOM 635 CD GLU A 45 -8.001 -6.697 6.151 1.00 0.00 C ATOM 636 OE1 GLU A 45 -7.943 -7.635 6.974 1.00 0.00 O ATOM 637 OE2 GLU A 45 -7.515 -6.763 5.002 1.00 0.00 O ATOM 0 H GLU A 45 -11.684 -3.804 5.640 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.365 -4.456 8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.755 -6.060 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.557 -6.444 6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.907 -4.818 5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.025 -4.830 7.195 1.00 0.00 H new ATOM 644 N THR A 46 -9.673 -2.625 8.570 1.00 0.00 N ATOM 645 CA THR A 46 -8.853 -1.423 8.646 1.00 0.00 C ATOM 646 C THR A 46 -7.369 -1.769 8.653 1.00 0.00 C ATOM 647 O THR A 46 -6.914 -2.583 9.458 1.00 0.00 O ATOM 648 CB THR A 46 -9.182 -0.597 9.904 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.572 -0.252 9.915 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.340 0.669 9.956 1.00 0.00 C ATOM 0 H THR A 46 -9.961 -2.997 9.475 1.00 0.00 H new ATOM 0 HA THR A 46 -9.080 -0.829 7.761 1.00 0.00 H new ATOM 0 HB THR A 46 -8.952 -1.204 10.780 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.773 0.271 10.719 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.590 1.236 10.853 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.283 0.403 9.978 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.543 1.277 9.074 1.00 0.00 H new ATOM 658 N LEU A 47 -6.617 -1.147 7.752 1.00 0.00 N ATOM 659 CA LEU A 47 -5.181 -1.389 7.655 1.00 0.00 C ATOM 660 C LEU A 47 -4.400 -0.367 8.475 1.00 0.00 C ATOM 661 O LEU A 47 -4.927 0.683 8.841 1.00 0.00 O ATOM 662 CB LEU A 47 -4.733 -1.337 6.193 1.00 0.00 C ATOM 663 CG LEU A 47 -5.601 -2.107 5.197 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.240 -1.727 3.769 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.449 -3.607 5.406 1.00 0.00 C ATOM 0 H LEU A 47 -6.977 -0.471 7.078 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.977 -2.382 8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.697 -0.293 5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.715 -1.723 6.132 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.643 -1.840 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.868 -2.285 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.400 -0.658 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.193 -1.965 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.074 -4.139 4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.407 -3.891 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.758 -3.866 6.419 1.00 0.00 H new ATOM 677 N ARG A 48 -3.140 -0.682 8.757 1.00 0.00 N ATOM 678 CA ARG A 48 -2.286 0.209 9.533 1.00 0.00 C ATOM 679 C ARG A 48 -0.884 0.276 8.933 1.00 0.00 C ATOM 680 O ARG A 48 -0.365 -0.720 8.429 1.00 0.00 O ATOM 681 CB ARG A 48 -2.208 -0.262 10.986 1.00 0.00 C ATOM 682 CG ARG A 48 -3.534 -0.180 11.725 1.00 0.00 C ATOM 683 CD ARG A 48 -3.844 1.244 12.159 1.00 0.00 C ATOM 684 NE ARG A 48 -4.793 1.284 13.268 1.00 0.00 N ATOM 685 CZ ARG A 48 -4.917 2.318 14.092 1.00 0.00 C ATOM 686 NH1 ARG A 48 -4.156 3.392 13.932 1.00 0.00 N ATOM 687 NH2 ARG A 48 -5.804 2.280 15.078 1.00 0.00 N ATOM 0 H ARG A 48 -2.688 -1.547 8.460 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.723 1.207 9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.853 -1.293 11.006 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.469 0.340 11.515 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.333 -0.547 11.082 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.505 -0.830 12.600 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.920 1.742 12.454 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.250 1.800 11.314 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.394 0.473 13.418 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.474 3.425 13.175 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.253 4.185 14.566 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.392 1.456 15.204 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.898 3.075 15.710 1.00 0.00 H new ATOM 701 N ASP A 49 -0.278 1.457 8.992 1.00 0.00 N ATOM 702 CA ASP A 49 1.064 1.655 8.455 1.00 0.00 C ATOM 703 C ASP A 49 2.096 0.887 9.275 1.00 0.00 C ATOM 704 O ASP A 49 2.148 1.011 10.498 1.00 0.00 O ATOM 705 CB ASP A 49 1.414 3.144 8.436 1.00 0.00 C ATOM 706 CG ASP A 49 2.060 3.603 9.728 1.00 0.00 C ATOM 707 OD1 ASP A 49 3.294 3.460 9.858 1.00 0.00 O ATOM 708 OD2 ASP A 49 1.332 4.105 10.610 1.00 0.00 O ATOM 0 H ASP A 49 -0.694 2.291 9.406 1.00 0.00 H new ATOM 0 HA ASP A 49 1.081 1.273 7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.089 3.345 7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.509 3.725 8.259 1.00 0.00 H new ATOM 713 N GLY A 50 2.915 0.093 8.593 1.00 0.00 N ATOM 714 CA GLY A 50 3.933 -0.684 9.275 1.00 0.00 C ATOM 715 C GLY A 50 5.070 -1.084 8.355 1.00 0.00 C ATOM 716 O GLY A 50 5.469 -0.316 7.480 1.00 0.00 O ATOM 0 H GLY A 50 2.892 -0.026 7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.331 -0.105 10.108 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.479 -1.580 9.698 1.00 0.00 H new ATOM 720 N ASP A 51 5.593 -2.289 8.554 1.00 0.00 N ATOM 721 CA ASP A 51 6.691 -2.790 7.735 1.00 0.00 C ATOM 722 C ASP A 51 6.207 -3.145 6.333 1.00 0.00 C ATOM 723 O ASP A 51 6.789 -2.716 5.337 1.00 0.00 O ATOM 724 CB ASP A 51 7.329 -4.015 8.394 1.00 0.00 C ATOM 725 CG ASP A 51 8.803 -4.147 8.066 1.00 0.00 C ATOM 726 OD1 ASP A 51 9.126 -4.491 6.909 1.00 0.00 O ATOM 727 OD2 ASP A 51 9.634 -3.905 8.966 1.00 0.00 O ATOM 0 H ASP A 51 5.275 -2.937 9.275 1.00 0.00 H new ATOM 0 HA ASP A 51 7.438 -2.001 7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.205 -3.948 9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.805 -4.914 8.068 1.00 0.00 H new ATOM 732 N ARG A 52 5.138 -3.932 6.264 1.00 0.00 N ATOM 733 CA ARG A 52 4.576 -4.346 4.984 1.00 0.00 C ATOM 734 C ARG A 52 3.707 -3.243 4.389 1.00 0.00 C ATOM 735 O ARG A 52 3.739 -2.995 3.183 1.00 0.00 O ATOM 736 CB ARG A 52 3.751 -5.623 5.155 1.00 0.00 C ATOM 737 CG ARG A 52 4.589 -6.892 5.174 1.00 0.00 C ATOM 738 CD ARG A 52 3.815 -8.079 4.624 1.00 0.00 C ATOM 739 NE ARG A 52 4.388 -9.352 5.053 1.00 0.00 N ATOM 740 CZ ARG A 52 4.138 -10.510 4.453 1.00 0.00 C ATOM 741 NH1 ARG A 52 3.329 -10.556 3.403 1.00 0.00 N ATOM 742 NH2 ARG A 52 4.698 -11.627 4.902 1.00 0.00 N ATOM 0 H ARG A 52 4.644 -4.295 7.079 1.00 0.00 H new ATOM 0 HA ARG A 52 5.402 -4.543 4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.185 -5.558 6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.026 -5.689 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.493 -6.741 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.906 -7.105 6.195 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.778 -8.019 4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.807 -8.034 3.535 1.00 0.00 H new ATOM 0 HE ARG A 52 5.015 -9.352 5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.897 -9.700 3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.139 -11.447 2.944 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.321 -11.596 5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.505 -12.516 4.440 1.00 0.00 H new ATOM 756 N TYR A 53 2.931 -2.583 5.242 1.00 0.00 N ATOM 757 CA TYR A 53 2.051 -1.508 4.800 1.00 0.00 C ATOM 758 C TYR A 53 2.713 -0.147 4.993 1.00 0.00 C ATOM 759 O TYR A 53 3.496 0.048 5.922 1.00 0.00 O ATOM 760 CB TYR A 53 0.728 -1.556 5.566 1.00 0.00 C ATOM 761 CG TYR A 53 -0.133 -2.748 5.213 1.00 0.00 C ATOM 762 CD1 TYR A 53 -0.978 -2.717 4.110 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.102 -3.905 5.982 1.00 0.00 C ATOM 764 CE1 TYR A 53 -1.767 -3.803 3.784 1.00 0.00 C ATOM 765 CE2 TYR A 53 -0.887 -4.996 5.662 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.717 -4.941 4.563 1.00 0.00 C ATOM 767 OH TYR A 53 -2.501 -6.025 4.242 1.00 0.00 O ATOM 0 H TYR A 53 2.894 -2.774 6.243 1.00 0.00 H new ATOM 0 HA TYR A 53 1.854 -1.649 3.737 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.937 -1.574 6.636 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.169 -0.642 5.366 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.018 -1.829 3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.547 -3.952 6.844 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.419 -3.762 2.924 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.850 -5.888 6.270 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.346 -6.744 4.890 1.00 0.00 H new ATOM 777 N SER A 54 2.393 0.791 4.107 1.00 0.00 N ATOM 778 CA SER A 54 2.959 2.133 4.176 1.00 0.00 C ATOM 779 C SER A 54 1.915 3.182 3.806 1.00 0.00 C ATOM 780 O SER A 54 1.577 3.352 2.634 1.00 0.00 O ATOM 781 CB SER A 54 4.168 2.248 3.245 1.00 0.00 C ATOM 782 OG SER A 54 4.893 1.032 3.198 1.00 0.00 O ATOM 0 H SER A 54 1.745 0.646 3.333 1.00 0.00 H new ATOM 0 HA SER A 54 3.281 2.313 5.202 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.835 2.515 2.242 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.820 3.051 3.588 1.00 0.00 H new ATOM 0 HG SER A 54 5.659 1.131 2.595 1.00 0.00 H new ATOM 788 N LEU A 55 1.408 3.884 4.813 1.00 0.00 N ATOM 789 CA LEU A 55 0.402 4.918 4.595 1.00 0.00 C ATOM 790 C LEU A 55 1.029 6.307 4.649 1.00 0.00 C ATOM 791 O LEU A 55 1.281 6.844 5.728 1.00 0.00 O ATOM 792 CB LEU A 55 -0.708 4.806 5.642 1.00 0.00 C ATOM 793 CG LEU A 55 -1.654 3.614 5.492 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.931 2.315 5.810 1.00 0.00 C ATOM 795 CD2 LEU A 55 -2.871 3.783 6.390 1.00 0.00 C ATOM 0 H LEU A 55 1.677 3.756 5.789 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.026 4.771 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.246 4.756 6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.301 5.720 5.614 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.994 3.572 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.620 1.478 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.092 2.189 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.561 2.346 6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.533 2.926 6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.550 3.851 7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.403 4.694 6.114 1.00 0.00 H new ATOM 807 N ARG A 56 1.276 6.885 3.478 1.00 0.00 N ATOM 808 CA ARG A 56 1.872 8.213 3.391 1.00 0.00 C ATOM 809 C ARG A 56 0.827 9.254 3.002 1.00 0.00 C ATOM 810 O ARG A 56 -0.325 8.918 2.729 1.00 0.00 O ATOM 811 CB ARG A 56 3.015 8.217 2.374 1.00 0.00 C ATOM 812 CG ARG A 56 4.275 7.527 2.871 1.00 0.00 C ATOM 813 CD ARG A 56 5.397 7.612 1.848 1.00 0.00 C ATOM 814 NE ARG A 56 5.896 8.976 1.695 1.00 0.00 N ATOM 815 CZ ARG A 56 7.103 9.268 1.224 1.00 0.00 C ATOM 816 NH1 ARG A 56 7.930 8.297 0.861 1.00 0.00 N ATOM 817 NH2 ARG A 56 7.485 10.534 1.115 1.00 0.00 N ATOM 0 H ARG A 56 1.073 6.454 2.576 1.00 0.00 H new ATOM 0 HA ARG A 56 2.268 8.471 4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.679 7.727 1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.254 9.248 2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.598 7.986 3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.057 6.481 3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.215 6.959 2.152 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.038 7.247 0.886 1.00 0.00 H new ATOM 0 HE ARG A 56 5.284 9.746 1.965 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.640 7.323 0.943 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.856 8.525 0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.852 11.284 1.393 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.412 10.758 0.753 1.00 0.00 H new ATOM 831 N GLN A 57 1.238 10.518 2.980 1.00 0.00 N ATOM 832 CA GLN A 57 0.336 11.607 2.625 1.00 0.00 C ATOM 833 C GLN A 57 1.107 12.907 2.420 1.00 0.00 C ATOM 834 O GLN A 57 2.071 13.187 3.132 1.00 0.00 O ATOM 835 CB GLN A 57 -0.724 11.795 3.712 1.00 0.00 C ATOM 836 CG GLN A 57 -1.700 12.923 3.422 1.00 0.00 C ATOM 837 CD GLN A 57 -2.492 13.339 4.646 1.00 0.00 C ATOM 838 OE1 GLN A 57 -3.812 13.221 4.565 1.00 0.00 O flip ATOM 839 NE2 GLN A 57 -1.924 13.761 5.654 1.00 0.00 N flip ATOM 0 H GLN A 57 2.189 10.813 3.204 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.157 11.346 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.281 10.865 3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.227 11.991 4.662 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.151 13.784 3.039 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.389 12.610 2.638 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.907 13.835 5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.471 14.036 6.470 1.00 0.00 H new ATOM 848 N ASP A 58 0.676 13.697 1.443 1.00 0.00 N ATOM 849 CA ASP A 58 1.325 14.968 1.144 1.00 0.00 C ATOM 850 C ASP A 58 0.297 16.087 1.018 1.00 0.00 C ATOM 851 O ASP A 58 -0.027 16.525 -0.086 1.00 0.00 O ATOM 852 CB ASP A 58 2.139 14.858 -0.146 1.00 0.00 C ATOM 853 CG ASP A 58 3.258 15.879 -0.213 1.00 0.00 C ATOM 854 OD1 ASP A 58 3.116 16.955 0.404 1.00 0.00 O ATOM 855 OD2 ASP A 58 4.275 15.603 -0.884 1.00 0.00 O ATOM 0 H ASP A 58 -0.121 13.479 0.844 1.00 0.00 H new ATOM 0 HA ASP A 58 1.996 15.208 1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.561 13.856 -0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.478 14.991 -1.002 1.00 0.00 H new ATOM 860 N GLY A 59 -0.215 16.545 2.156 1.00 0.00 N ATOM 861 CA GLY A 59 -1.203 17.608 2.150 1.00 0.00 C ATOM 862 C GLY A 59 -2.609 17.092 1.915 1.00 0.00 C ATOM 863 O GLY A 59 -3.338 16.798 2.863 1.00 0.00 O ATOM 0 H GLY A 59 0.037 16.199 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.168 18.138 3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.950 18.330 1.374 1.00 0.00 H new ATOM 867 N THR A 60 -2.993 16.984 0.647 1.00 0.00 N ATOM 868 CA THR A 60 -4.322 16.503 0.289 1.00 0.00 C ATOM 869 C THR A 60 -4.250 15.135 -0.380 1.00 0.00 C ATOM 870 O THR A 60 -5.210 14.365 -0.346 1.00 0.00 O ATOM 871 CB THR A 60 -5.040 17.486 -0.654 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.128 17.964 -1.650 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.612 18.662 0.123 1.00 0.00 C ATOM 0 H THR A 60 -2.402 17.223 -0.149 1.00 0.00 H new ATOM 0 HA THR A 60 -4.889 16.421 1.216 1.00 0.00 H new ATOM 0 HB THR A 60 -5.861 16.957 -1.137 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.593 18.587 -2.247 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.114 19.343 -0.564 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.327 18.298 0.860 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.805 19.190 0.631 1.00 0.00 H new ATOM 881 N LYS A 61 -3.106 14.838 -0.986 1.00 0.00 N ATOM 882 CA LYS A 61 -2.907 13.561 -1.662 1.00 0.00 C ATOM 883 C LYS A 61 -2.480 12.482 -0.672 1.00 0.00 C ATOM 884 O LYS A 61 -1.814 12.769 0.324 1.00 0.00 O ATOM 885 CB LYS A 61 -1.855 13.702 -2.764 1.00 0.00 C ATOM 886 CG LYS A 61 -2.392 14.322 -4.042 1.00 0.00 C ATOM 887 CD LYS A 61 -1.435 14.119 -5.205 1.00 0.00 C ATOM 888 CE LYS A 61 -1.901 14.866 -6.446 1.00 0.00 C ATOM 889 NZ LYS A 61 -0.760 15.251 -7.322 1.00 0.00 N ATOM 0 H LYS A 61 -2.302 15.464 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.855 13.264 -2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.031 14.312 -2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.445 12.718 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.359 13.880 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.558 15.388 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.440 14.464 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.352 13.055 -5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.595 14.240 -7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.448 15.760 -6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.119 15.758 -8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.110 15.869 -6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.253 14.396 -7.628 1.00 0.00 H new ATOM 903 N CYS A 62 -2.865 11.242 -0.953 1.00 0.00 N ATOM 904 CA CYS A 62 -2.520 10.120 -0.086 1.00 0.00 C ATOM 905 C CYS A 62 -1.790 9.033 -0.869 1.00 0.00 C ATOM 906 O CYS A 62 -1.687 9.100 -2.093 1.00 0.00 O ATOM 907 CB CYS A 62 -3.780 9.542 0.559 1.00 0.00 C ATOM 908 SG CYS A 62 -4.785 10.761 1.439 1.00 0.00 S ATOM 0 H CYS A 62 -3.416 10.988 -1.773 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.856 10.487 0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.390 9.075 -0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.490 8.755 1.255 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.914 10.924 0.816 1.00 0.00 H new ATOM 914 N GLU A 63 -1.284 8.034 -0.153 1.00 0.00 N ATOM 915 CA GLU A 63 -0.562 6.935 -0.781 1.00 0.00 C ATOM 916 C GLU A 63 -0.459 5.741 0.164 1.00 0.00 C ATOM 917 O GLU A 63 -0.069 5.884 1.324 1.00 0.00 O ATOM 918 CB GLU A 63 0.838 7.389 -1.200 1.00 0.00 C ATOM 919 CG GLU A 63 1.723 6.256 -1.692 1.00 0.00 C ATOM 920 CD GLU A 63 3.041 6.749 -2.259 1.00 0.00 C ATOM 921 OE1 GLU A 63 3.801 7.402 -1.513 1.00 0.00 O ATOM 922 OE2 GLU A 63 3.311 6.481 -3.448 1.00 0.00 O ATOM 0 H GLU A 63 -1.361 7.964 0.862 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.118 6.628 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.748 8.137 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.322 7.875 -0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.920 5.570 -0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.191 5.691 -2.457 1.00 0.00 H new ATOM 929 N LEU A 64 -0.812 4.563 -0.339 1.00 0.00 N ATOM 930 CA LEU A 64 -0.761 3.343 0.459 1.00 0.00 C ATOM 931 C LEU A 64 -0.054 2.225 -0.300 1.00 0.00 C ATOM 932 O LEU A 64 -0.506 1.803 -1.364 1.00 0.00 O ATOM 933 CB LEU A 64 -2.174 2.901 0.842 1.00 0.00 C ATOM 934 CG LEU A 64 -2.284 1.562 1.572 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.406 0.419 0.577 1.00 0.00 C ATOM 936 CD2 LEU A 64 -1.083 1.352 2.483 1.00 0.00 C ATOM 0 H LEU A 64 -1.137 4.427 -1.296 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.195 3.555 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.616 3.673 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.775 2.847 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.184 1.578 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.483 -0.526 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.297 0.562 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.525 0.400 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.178 0.394 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.170 1.357 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.040 2.154 3.220 1.00 0.00 H new ATOM 948 N GLN A 65 1.055 1.749 0.256 1.00 0.00 N ATOM 949 CA GLN A 65 1.823 0.678 -0.369 1.00 0.00 C ATOM 950 C GLN A 65 1.641 -0.634 0.386 1.00 0.00 C ATOM 951 O GLN A 65 1.599 -0.653 1.617 1.00 0.00 O ATOM 952 CB GLN A 65 3.306 1.049 -0.421 1.00 0.00 C ATOM 953 CG GLN A 65 3.706 1.780 -1.692 1.00 0.00 C ATOM 954 CD GLN A 65 5.184 2.115 -1.733 1.00 0.00 C ATOM 955 OE1 GLN A 65 5.983 1.381 -2.315 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.557 3.228 -1.112 1.00 0.00 N ATOM 0 H GLN A 65 1.442 2.087 1.137 1.00 0.00 H new ATOM 0 HA GLN A 65 1.453 0.545 -1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.546 1.675 0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.902 0.141 -0.331 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.453 1.165 -2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.127 2.700 -1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.861 3.807 -0.642 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.539 3.504 -1.105 1.00 0.00 H new ATOM 965 N ILE A 66 1.535 -1.730 -0.358 1.00 0.00 N ATOM 966 CA ILE A 66 1.358 -3.046 0.242 1.00 0.00 C ATOM 967 C ILE A 66 2.470 -3.999 -0.186 1.00 0.00 C ATOM 968 O ILE A 66 2.502 -4.459 -1.327 1.00 0.00 O ATOM 969 CB ILE A 66 -0.003 -3.660 -0.138 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.142 -2.737 0.298 1.00 0.00 C ATOM 971 CG2 ILE A 66 -0.157 -5.036 0.493 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.371 -2.839 -0.578 1.00 0.00 C ATOM 0 H ILE A 66 1.569 -1.732 -1.377 1.00 0.00 H new ATOM 0 HA ILE A 66 1.396 -2.908 1.323 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.046 -3.772 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.418 -2.974 1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.786 -1.707 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.123 -5.457 0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.639 -5.690 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.098 -4.948 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.138 -2.157 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.111 -2.573 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.752 -3.860 -0.553 1.00 0.00 H new ATOM 984 N ARG A 67 3.378 -4.292 0.739 1.00 0.00 N ATOM 985 CA ARG A 67 4.492 -5.190 0.458 1.00 0.00 C ATOM 986 C ARG A 67 4.068 -6.647 0.618 1.00 0.00 C ATOM 987 O ARG A 67 3.352 -6.997 1.555 1.00 0.00 O ATOM 988 CB ARG A 67 5.668 -4.885 1.388 1.00 0.00 C ATOM 989 CG ARG A 67 6.655 -3.884 0.812 1.00 0.00 C ATOM 990 CD ARG A 67 7.547 -4.523 -0.241 1.00 0.00 C ATOM 991 NE ARG A 67 8.627 -3.632 -0.658 1.00 0.00 N ATOM 992 CZ ARG A 67 9.736 -4.052 -1.257 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.911 -5.342 -1.507 1.00 0.00 N ATOM 994 NH2 ARG A 67 10.673 -3.180 -1.607 1.00 0.00 N ATOM 0 H ARG A 67 3.364 -3.921 1.689 1.00 0.00 H new ATOM 0 HA ARG A 67 4.804 -5.031 -0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.283 -4.501 2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.194 -5.813 1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.112 -3.048 0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.271 -3.477 1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.971 -5.446 0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.946 -4.795 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 67 8.524 -2.633 -0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.193 -6.015 -1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.764 -5.661 -1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.542 -2.187 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.524 -3.503 -2.067 1.00 0.00 H new ATOM 1008 N GLY A 68 4.515 -7.493 -0.306 1.00 0.00 N ATOM 1009 CA GLY A 68 4.171 -8.902 -0.250 1.00 0.00 C ATOM 1010 C GLY A 68 2.884 -9.215 -0.989 1.00 0.00 C ATOM 1011 O GLY A 68 2.019 -9.922 -0.471 1.00 0.00 O ATOM 0 H GLY A 68 5.109 -7.228 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.984 -9.489 -0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.072 -9.207 0.792 1.00 0.00 H new ATOM 1015 N LEU A 69 2.756 -8.686 -2.201 1.00 0.00 N ATOM 1016 CA LEU A 69 1.565 -8.911 -3.011 1.00 0.00 C ATOM 1017 C LEU A 69 1.423 -10.386 -3.374 1.00 0.00 C ATOM 1018 O LEU A 69 2.143 -10.896 -4.232 1.00 0.00 O ATOM 1019 CB LEU A 69 1.623 -8.065 -4.284 1.00 0.00 C ATOM 1020 CG LEU A 69 1.292 -6.581 -4.120 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.652 -5.810 -5.380 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.181 -6.397 -3.783 1.00 0.00 C ATOM 0 H LEU A 69 3.462 -8.098 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 69 0.696 -8.615 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.624 -8.149 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.933 -8.492 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 69 1.886 -6.186 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.409 -4.756 -5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.719 -5.914 -5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.086 -6.207 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.398 -5.335 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.792 -6.809 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.409 -6.915 -2.851 1.00 0.00 H new ATOM 1034 N ALA A 70 0.489 -11.064 -2.715 1.00 0.00 N ATOM 1035 CA ALA A 70 0.250 -12.479 -2.971 1.00 0.00 C ATOM 1036 C ALA A 70 -1.203 -12.729 -3.360 1.00 0.00 C ATOM 1037 O ALA A 70 -2.039 -11.829 -3.284 1.00 0.00 O ATOM 1038 CB ALA A 70 0.621 -13.307 -1.749 1.00 0.00 C ATOM 0 H ALA A 70 -0.114 -10.656 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 70 0.880 -12.783 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.437 -14.362 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.676 -13.161 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.016 -12.992 -0.899 1.00 0.00 H new ATOM 1044 N MET A 71 -1.496 -13.956 -3.777 1.00 0.00 N ATOM 1045 CA MET A 71 -2.850 -14.324 -4.178 1.00 0.00 C ATOM 1046 C MET A 71 -3.853 -13.984 -3.080 1.00 0.00 C ATOM 1047 O MET A 71 -4.999 -13.635 -3.360 1.00 0.00 O ATOM 1048 CB MET A 71 -2.920 -15.817 -4.505 1.00 0.00 C ATOM 1049 CG MET A 71 -2.253 -16.182 -5.821 1.00 0.00 C ATOM 1050 SD MET A 71 -3.388 -16.103 -7.220 1.00 0.00 S ATOM 1051 CE MET A 71 -3.123 -14.420 -7.775 1.00 0.00 C ATOM 0 H MET A 71 -0.815 -14.712 -3.846 1.00 0.00 H new ATOM 0 HA MET A 71 -3.107 -13.752 -5.070 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.448 -16.380 -3.699 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.965 -16.125 -4.539 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.416 -15.507 -5.999 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.841 -17.189 -5.748 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.993 -13.813 -7.525 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.241 -14.009 -7.284 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.973 -14.412 -8.855 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.413 -14.089 -1.830 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.272 -13.792 -0.690 1.00 0.00 C ATOM 1063 C ALA A 72 -4.580 -12.300 -0.610 1.00 0.00 C ATOM 1064 O ALA A 72 -5.716 -11.905 -0.346 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.622 -14.269 0.600 1.00 0.00 C ATOM 0 H ALA A 72 -2.467 -14.377 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.213 -14.324 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.275 -14.040 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.459 -15.346 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.666 -13.763 0.734 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.562 -11.478 -0.838 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.725 -10.029 -0.791 1.00 0.00 C ATOM 1073 C ASP A 73 -4.757 -9.565 -1.814 1.00 0.00 C ATOM 1074 O ASP A 73 -5.459 -8.576 -1.599 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.386 -9.336 -1.049 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.312 -9.769 -0.070 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.228 -10.980 0.221 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.556 -8.896 0.406 1.00 0.00 O ATOM 0 H ASP A 73 -2.616 -11.789 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.080 -9.760 0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.057 -9.554 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.520 -8.256 -0.983 1.00 0.00 H new ATOM 1083 N THR A 74 -4.844 -10.285 -2.929 1.00 0.00 N ATOM 1084 CA THR A 74 -5.788 -9.946 -3.986 1.00 0.00 C ATOM 1085 C THR A 74 -7.186 -9.718 -3.422 1.00 0.00 C ATOM 1086 O THR A 74 -7.901 -10.668 -3.106 1.00 0.00 O ATOM 1087 CB THR A 74 -5.852 -11.051 -5.057 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.548 -11.283 -5.601 1.00 0.00 O ATOM 1089 CG2 THR A 74 -6.812 -10.667 -6.173 1.00 0.00 C ATOM 0 H THR A 74 -4.272 -11.107 -3.123 1.00 0.00 H new ATOM 0 HA THR A 74 -5.431 -9.025 -4.446 1.00 0.00 H new ATOM 0 HB THR A 74 -6.215 -11.964 -4.585 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.597 -11.988 -6.280 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.841 -11.462 -6.918 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.810 -10.520 -5.760 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.474 -9.743 -6.642 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.570 -8.451 -3.299 1.00 0.00 N ATOM 1098 CA GLY A 75 -8.882 -8.122 -2.774 1.00 0.00 C ATOM 1099 C GLY A 75 -9.324 -6.723 -3.153 1.00 0.00 C ATOM 1100 O GLY A 75 -8.845 -6.159 -4.137 1.00 0.00 O ATOM 0 H GLY A 75 -6.996 -7.647 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.610 -8.843 -3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.869 -8.214 -1.688 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.242 -6.161 -2.373 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.750 -4.820 -2.635 1.00 0.00 C ATOM 1106 C GLU A 76 -10.376 -3.866 -1.504 1.00 0.00 C ATOM 1107 O GLU A 76 -10.690 -4.113 -0.339 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.270 -4.851 -2.809 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.908 -3.472 -2.834 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.421 -3.528 -2.750 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.941 -4.099 -1.768 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -15.086 -3.000 -3.666 1.00 0.00 O ATOM 0 H GLU A 76 -10.649 -6.614 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.293 -4.460 -3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.511 -5.370 -3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.709 -5.430 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.523 -2.883 -2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.617 -2.958 -3.750 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.704 -2.776 -1.856 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.284 -1.786 -0.872 1.00 0.00 C ATOM 1121 C TYR A 77 -10.111 -0.509 -0.996 1.00 0.00 C ATOM 1122 O TYR A 77 -10.464 -0.090 -2.098 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.798 -1.463 -1.044 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.889 -2.647 -0.802 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.906 -3.745 -1.653 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -6.015 -2.667 0.278 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -6.078 -4.829 -1.435 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.183 -3.747 0.502 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.218 -4.825 -0.357 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.391 -5.903 -0.136 1.00 0.00 O ATOM 0 H TYR A 77 -9.438 -2.556 -2.816 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.445 -2.207 0.120 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.631 -1.088 -2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.527 -0.661 -0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.578 -3.751 -2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.986 -1.825 0.953 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.104 -5.675 -2.105 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.509 -3.747 1.346 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.767 -6.698 -0.568 1.00 0.00 H new ATOM 1140 N SER A 78 -10.415 0.103 0.144 1.00 0.00 N ATOM 1141 CA SER A 78 -11.203 1.330 0.165 1.00 0.00 C ATOM 1142 C SER A 78 -10.563 2.372 1.077 1.00 0.00 C ATOM 1143 O SER A 78 -10.296 2.106 2.250 1.00 0.00 O ATOM 1144 CB SER A 78 -12.631 1.036 0.631 1.00 0.00 C ATOM 1145 OG SER A 78 -13.158 -0.102 -0.028 1.00 0.00 O ATOM 0 H SER A 78 -10.128 -0.230 1.064 1.00 0.00 H new ATOM 0 HA SER A 78 -11.234 1.730 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.639 0.872 1.709 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.266 1.900 0.435 1.00 0.00 H new ATOM 0 HG SER A 78 -14.070 -0.270 0.288 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.319 3.557 0.531 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.708 4.640 1.294 1.00 0.00 C ATOM 1153 C CYS A 79 -10.774 5.570 1.866 1.00 0.00 C ATOM 1154 O CYS A 79 -11.393 6.345 1.136 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.743 5.433 0.412 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.422 6.264 1.325 1.00 0.00 S ATOM 0 H CYS A 79 -10.535 3.793 -0.438 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.153 4.199 2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.296 4.758 -0.318 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.308 6.179 -0.147 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.269 5.814 0.926 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.984 5.487 3.176 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.975 6.320 3.846 1.00 0.00 C ATOM 1164 C VAL A 80 -11.334 7.576 4.427 1.00 0.00 C ATOM 1165 O VAL A 80 -10.275 7.512 5.052 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.686 5.550 4.974 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -14.058 6.146 5.246 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.797 4.074 4.623 1.00 0.00 C ATOM 0 H VAL A 80 -10.481 4.851 3.794 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.710 6.605 3.093 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.091 5.641 5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.545 5.588 6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.949 7.189 5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.665 6.089 4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.302 3.545 5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.369 3.961 3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.800 3.657 4.484 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.983 8.715 4.219 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.477 9.987 4.722 1.00 0.00 C ATOM 1180 C CYS A 81 -12.470 10.622 5.691 1.00 0.00 C ATOM 1181 O CYS A 81 -12.479 11.838 5.878 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.195 10.943 3.562 1.00 0.00 C ATOM 1183 SG CYS A 81 -12.675 11.491 2.681 1.00 0.00 S ATOM 0 H CYS A 81 -12.861 8.784 3.705 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.547 9.794 5.257 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.669 11.817 3.945 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.525 10.452 2.856 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.944 10.655 1.722 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.307 9.790 6.303 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.293 10.289 7.243 1.00 0.00 C ATOM 1191 C GLY A 82 -15.693 9.800 6.928 1.00 0.00 C ATOM 1192 O GLY A 82 -16.199 8.887 7.580 1.00 0.00 O ATOM 0 H GLY A 82 -13.320 8.780 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.020 9.976 8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.281 11.379 7.233 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.320 10.411 5.928 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.671 10.034 5.530 1.00 0.00 C ATOM 1198 C GLN A 83 -17.659 9.289 4.199 1.00 0.00 C ATOM 1199 O GLN A 83 -18.335 8.273 4.040 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.560 11.274 5.425 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.781 11.979 6.754 1.00 0.00 C ATOM 1202 CD GLN A 83 -19.202 11.027 7.857 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -18.430 10.737 8.771 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -20.432 10.534 7.775 1.00 0.00 N ATOM 0 H GLN A 83 -15.914 11.169 5.379 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.075 9.370 6.294 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.110 11.975 4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.526 10.984 5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.863 12.487 7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -19.545 12.747 6.631 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -21.038 10.802 7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.771 9.887 8.487 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.886 9.801 3.247 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.787 9.184 1.930 1.00 0.00 C ATOM 1215 C GLU A 84 -15.507 8.363 1.808 1.00 0.00 C ATOM 1216 O GLU A 84 -14.636 8.419 2.676 1.00 0.00 O ATOM 1217 CB GLU A 84 -16.826 10.254 0.836 1.00 0.00 C ATOM 1218 CG GLU A 84 -18.011 11.198 0.950 1.00 0.00 C ATOM 1219 CD GLU A 84 -18.421 11.783 -0.387 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -18.359 11.052 -1.398 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -18.805 12.971 -0.423 1.00 0.00 O ATOM 0 H GLU A 84 -16.319 10.641 3.363 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.639 8.516 1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.904 10.835 0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.854 9.765 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.856 10.663 1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.761 12.008 1.635 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.401 7.600 0.725 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.229 6.766 0.490 1.00 0.00 C ATOM 1230 C ARG A 85 -14.195 6.269 -0.953 1.00 0.00 C ATOM 1231 O ARG A 85 -15.193 6.346 -1.672 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.223 5.575 1.450 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.169 4.458 1.042 1.00 0.00 C ATOM 1234 CD ARG A 85 -16.540 4.630 1.679 1.00 0.00 C ATOM 1235 NE ARG A 85 -17.605 4.091 0.837 1.00 0.00 N ATOM 1236 CZ ARG A 85 -18.788 3.709 1.305 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -19.056 3.805 2.600 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -19.707 3.229 0.476 1.00 0.00 N ATOM 0 H ARG A 85 -16.113 7.542 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.341 7.373 0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.211 5.176 1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.493 5.922 2.447 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.270 4.443 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.748 3.497 1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.555 4.130 2.648 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.724 5.688 1.864 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.431 4.003 -0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.353 4.173 3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -19.966 3.511 2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.505 3.153 -0.521 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -20.615 2.936 0.836 1.00 0.00 H new ATOM 1252 N THR A 86 -13.041 5.759 -1.372 1.00 0.00 N ATOM 1253 CA THR A 86 -12.877 5.252 -2.728 1.00 0.00 C ATOM 1254 C THR A 86 -12.658 3.743 -2.728 1.00 0.00 C ATOM 1255 O THR A 86 -12.717 3.098 -1.681 1.00 0.00 O ATOM 1256 CB THR A 86 -11.693 5.931 -3.442 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.546 5.397 -4.763 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.402 5.729 -2.662 1.00 0.00 C ATOM 0 H THR A 86 -12.206 5.686 -0.791 1.00 0.00 H new ATOM 0 HA THR A 86 -13.797 5.483 -3.265 1.00 0.00 H new ATOM 0 HB THR A 86 -11.899 7.000 -3.503 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.367 5.557 -5.274 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.580 6.217 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.506 6.162 -1.667 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.193 4.663 -2.574 1.00 0.00 H new ATOM 1266 N SER A 87 -12.403 3.187 -3.907 1.00 0.00 N ATOM 1267 CA SER A 87 -12.178 1.752 -4.044 1.00 0.00 C ATOM 1268 C SER A 87 -11.403 1.443 -5.321 1.00 0.00 C ATOM 1269 O SER A 87 -11.561 2.121 -6.336 1.00 0.00 O ATOM 1270 CB SER A 87 -13.512 1.003 -4.049 1.00 0.00 C ATOM 1271 OG SER A 87 -14.531 1.782 -4.651 1.00 0.00 O ATOM 0 H SER A 87 -12.347 3.708 -4.782 1.00 0.00 H new ATOM 0 HA SER A 87 -11.586 1.419 -3.191 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.403 0.062 -4.588 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.796 0.753 -3.027 1.00 0.00 H new ATOM 0 HG SER A 87 -15.373 1.281 -4.644 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.564 0.413 -5.262 1.00 0.00 N ATOM 1278 CA ALA A 88 -9.766 0.012 -6.413 1.00 0.00 C ATOM 1279 C ALA A 88 -9.389 -1.463 -6.332 1.00 0.00 C ATOM 1280 O ALA A 88 -8.533 -1.852 -5.537 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.516 0.873 -6.515 1.00 0.00 C ATOM 0 H ALA A 88 -10.420 -0.158 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.368 0.158 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.930 0.562 -7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.803 1.919 -6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.919 0.756 -5.611 1.00 0.00 H new ATOM 1287 N MET A 89 -10.033 -2.281 -7.158 1.00 0.00 N ATOM 1288 CA MET A 89 -9.764 -3.714 -7.179 1.00 0.00 C ATOM 1289 C MET A 89 -8.279 -3.985 -7.403 1.00 0.00 C ATOM 1290 O MET A 89 -7.703 -3.554 -8.403 1.00 0.00 O ATOM 1291 CB MET A 89 -10.589 -4.394 -8.273 1.00 0.00 C ATOM 1292 CG MET A 89 -11.946 -4.885 -7.795 1.00 0.00 C ATOM 1293 SD MET A 89 -11.906 -6.597 -7.231 1.00 0.00 S ATOM 1294 CE MET A 89 -10.752 -6.476 -5.866 1.00 0.00 C ATOM 0 H MET A 89 -10.745 -1.976 -7.822 1.00 0.00 H new ATOM 0 HA MET A 89 -10.049 -4.126 -6.211 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.734 -3.693 -9.095 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.025 -5.238 -8.670 1.00 0.00 H new ATOM 0 HG2 MET A 89 -12.293 -4.247 -6.982 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.668 -4.790 -8.606 1.00 0.00 H new ATOM 0 HE1 MET A 89 -10.832 -7.366 -5.242 1.00 0.00 H new ATOM 0 HE2 MET A 89 -9.737 -6.395 -6.254 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.984 -5.593 -5.270 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.665 -4.700 -6.468 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.247 -5.029 -6.563 1.00 0.00 C ATOM 1306 C LEU A 90 -6.052 -6.472 -7.018 1.00 0.00 C ATOM 1307 O LEU A 90 -6.381 -7.412 -6.295 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.561 -4.810 -5.214 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.196 -5.476 -5.039 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.271 -5.109 -6.189 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.576 -5.081 -3.707 1.00 0.00 C ATOM 0 H LEU A 90 -8.127 -5.064 -5.634 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.795 -4.370 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.442 -3.738 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.224 -5.174 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.338 -6.557 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.304 -5.592 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.709 -5.443 -7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.136 -4.028 -6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.605 -5.565 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.448 -3.999 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.230 -5.396 -2.894 1.00 0.00 H new ATOM 1323 N THR A 91 -5.511 -6.640 -8.221 1.00 0.00 N ATOM 1324 CA THR A 91 -5.270 -7.967 -8.772 1.00 0.00 C ATOM 1325 C THR A 91 -3.788 -8.319 -8.729 1.00 0.00 C ATOM 1326 O THR A 91 -2.949 -7.580 -9.244 1.00 0.00 O ATOM 1327 CB THR A 91 -5.770 -8.071 -10.226 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.200 -8.024 -10.257 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.285 -9.359 -10.873 1.00 0.00 C ATOM 0 H THR A 91 -5.232 -5.873 -8.832 1.00 0.00 H new ATOM 0 HA THR A 91 -5.826 -8.672 -8.154 1.00 0.00 H new ATOM 0 HB THR A 91 -5.368 -7.227 -10.787 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.509 -8.089 -11.185 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.650 -9.411 -11.899 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.195 -9.378 -10.874 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.662 -10.213 -10.310 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.471 -9.454 -8.113 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.089 -9.905 -8.005 1.00 0.00 C ATOM 1339 C VAL A 92 -1.803 -11.038 -8.984 1.00 0.00 C ATOM 1340 O VAL A 92 -2.075 -12.204 -8.698 1.00 0.00 O ATOM 1341 CB VAL A 92 -1.765 -10.382 -6.577 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.330 -10.882 -6.494 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.007 -9.264 -5.574 1.00 0.00 C ATOM 0 H VAL A 92 -4.153 -10.078 -7.681 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.457 -9.051 -8.247 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.429 -11.211 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.119 -11.215 -5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.194 -11.715 -7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.352 -10.075 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.773 -9.619 -4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.370 -8.414 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.052 -8.957 -5.616 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.252 -10.687 -10.142 1.00 0.00 N ATOM 1354 CA ARG A 93 -0.929 -11.675 -11.165 1.00 0.00 C ATOM 1355 C ARG A 93 0.120 -12.660 -10.658 1.00 0.00 C ATOM 1356 O ARG A 93 1.279 -12.299 -10.457 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.423 -10.981 -12.431 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.366 -9.913 -12.959 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.490 -10.519 -13.784 1.00 0.00 C ATOM 1360 NE ARG A 93 -2.958 -9.608 -14.825 1.00 0.00 N ATOM 1361 CZ ARG A 93 -4.167 -9.676 -15.371 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -5.025 -10.607 -14.978 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -4.520 -8.810 -16.313 1.00 0.00 N ATOM 0 H ARG A 93 -1.020 -9.726 -10.395 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.838 -12.229 -11.400 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.546 -10.527 -12.224 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.265 -11.730 -13.207 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.787 -9.353 -12.124 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.808 -9.203 -13.569 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.144 -11.446 -14.242 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.321 -10.778 -13.129 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.322 -8.880 -15.150 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.758 -11.274 -14.254 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.953 -10.656 -15.399 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.863 -8.092 -16.618 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.448 -8.863 -16.732 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.296 -13.905 -10.452 1.00 0.00 N ATOM 1378 CA ALA A 94 0.608 -14.943 -9.970 1.00 0.00 C ATOM 1379 C ALA A 94 1.761 -15.163 -10.944 1.00 0.00 C ATOM 1380 O ALA A 94 1.545 -15.401 -12.133 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.152 -16.242 -9.746 1.00 0.00 C ATOM 0 H ALA A 94 -1.253 -14.220 -10.611 1.00 0.00 H new ATOM 0 HA ALA A 94 1.028 -14.612 -9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.535 -17.008 -9.386 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.936 -16.082 -9.006 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.600 -16.568 -10.685 1.00 0.00 H new ATOM 1387 N LEU A 95 2.984 -15.081 -10.433 1.00 0.00 N ATOM 1388 CA LEU A 95 4.172 -15.270 -11.258 1.00 0.00 C ATOM 1389 C LEU A 95 4.141 -16.628 -11.953 1.00 0.00 C ATOM 1390 O LEU A 95 3.512 -17.578 -11.486 1.00 0.00 O ATOM 1391 CB LEU A 95 5.435 -15.150 -10.404 1.00 0.00 C ATOM 1392 CG LEU A 95 5.771 -13.747 -9.896 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.695 -13.823 -8.691 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.403 -12.916 -11.003 1.00 0.00 C ATOM 0 H LEU A 95 3.179 -14.885 -9.451 1.00 0.00 H new ATOM 0 HA LEU A 95 4.182 -14.492 -12.021 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.332 -15.811 -9.544 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.280 -15.516 -10.987 1.00 0.00 H new ATOM 0 HG LEU A 95 4.845 -13.262 -9.588 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.923 -12.815 -8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.206 -14.380 -7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.619 -14.328 -8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.635 -11.921 -10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.320 -13.398 -11.342 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.707 -12.833 -11.838 1.00 0.00 H new