USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 505 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 20 GLN : amide:sc= -5.86! C(o=-39!,f=-36!) USER MOD Set 1.2: A 21 ASN : amide:sc= -12.5! C(o=-39!,f=-43!) USER MOD Set 1.3: B 20 GLN : amide:sc= -4.23! C(o=-39!,f=-36!) USER MOD Set 1.4: B 21 ASN : amide:sc= -16.7! C(o=-39!,f=-38!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 91:sc= 1.09 USER MOD Single : A 18 GLN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -2.33! K(o=-2.3!,f=-1.7) USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= -0.137 (180deg=-0.679) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 SER OG : rot 94:sc= 1.15 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0.038) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.11) USER MOD Single : B 26 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.3) USER MOD Single : B 32 LYS NZ :NH3+ -142:sc= -0.432 (180deg=-1.69!) USER MOD Single : B 33 LYS NZ :NH3+ 161:sc= -0.0129 (180deg=-0.321) USER MOD ----------------------------------------------------------------- ATOM 58 N LEU A 7 6.488 -10.439 -14.557 1.00 0.00 N ATOM 59 CA LEU A 7 6.489 -8.998 -14.740 1.00 0.00 C ATOM 60 C LEU A 7 5.047 -8.487 -14.729 1.00 0.00 C ATOM 61 O LEU A 7 4.776 -7.393 -14.236 1.00 0.00 O ATOM 62 CB LEU A 7 7.267 -8.618 -16.002 1.00 0.00 C ATOM 63 CG LEU A 7 7.376 -7.121 -16.297 1.00 0.00 C ATOM 64 CD1 LEU A 7 6.096 -6.596 -16.950 1.00 0.00 C ATOM 65 CD2 LEU A 7 7.737 -6.337 -15.033 1.00 0.00 C ATOM 0 HA LEU A 7 7.008 -8.509 -13.915 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.274 -9.026 -15.921 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.794 -9.103 -16.856 1.00 0.00 H new ATOM 0 HG LEU A 7 8.186 -6.972 -17.011 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.200 -5.529 -17.149 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.922 -7.125 -17.887 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.252 -6.759 -16.280 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.808 -5.276 -15.271 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.966 -6.489 -14.278 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.695 -6.688 -14.649 1.00 0.00 H new ATOM 77 N GLU A 8 4.159 -9.301 -15.281 1.00 0.00 N ATOM 78 CA GLU A 8 2.753 -8.944 -15.341 1.00 0.00 C ATOM 79 C GLU A 8 2.119 -9.047 -13.952 1.00 0.00 C ATOM 80 O GLU A 8 1.415 -8.136 -13.518 1.00 0.00 O ATOM 81 CB GLU A 8 2.006 -9.821 -16.349 1.00 0.00 C ATOM 82 CG GLU A 8 2.665 -9.752 -17.728 1.00 0.00 C ATOM 83 CD GLU A 8 1.780 -8.992 -18.719 1.00 0.00 C ATOM 84 OE1 GLU A 8 1.208 -7.951 -18.368 1.00 0.00 O ATOM 85 OE2 GLU A 8 1.701 -9.520 -19.894 1.00 0.00 O ATOM 0 H GLU A 8 4.387 -10.207 -15.691 1.00 0.00 H new ATOM 0 HA GLU A 8 2.676 -7.911 -15.680 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.993 -10.853 -15.999 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.968 -9.496 -16.421 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.634 -9.260 -17.648 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.849 -10.760 -18.098 1.00 0.00 H new ATOM 93 N ALA A 9 2.392 -10.163 -13.293 1.00 0.00 N ATOM 94 CA ALA A 9 1.857 -10.396 -11.961 1.00 0.00 C ATOM 95 C ALA A 9 2.365 -9.306 -11.015 1.00 0.00 C ATOM 96 O ALA A 9 1.589 -8.727 -10.256 1.00 0.00 O ATOM 97 CB ALA A 9 2.245 -11.800 -11.494 1.00 0.00 C ATOM 0 H ALA A 9 2.976 -10.916 -13.656 1.00 0.00 H new ATOM 0 HA ALA A 9 0.768 -10.344 -11.970 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.844 -11.975 -10.496 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.837 -12.539 -12.184 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.331 -11.888 -11.470 1.00 0.00 H new ATOM 103 N VAL A 10 3.665 -9.060 -11.090 1.00 0.00 N ATOM 104 CA VAL A 10 4.285 -8.051 -10.250 1.00 0.00 C ATOM 105 C VAL A 10 3.841 -6.662 -10.715 1.00 0.00 C ATOM 106 O VAL A 10 3.797 -5.723 -9.923 1.00 0.00 O ATOM 107 CB VAL A 10 5.805 -8.226 -10.255 1.00 0.00 C ATOM 108 CG1 VAL A 10 6.510 -6.910 -9.922 1.00 0.00 C ATOM 109 CG2 VAL A 10 6.233 -9.336 -9.294 1.00 0.00 C ATOM 0 H VAL A 10 4.306 -9.543 -11.720 1.00 0.00 H new ATOM 0 HA VAL A 10 3.962 -8.166 -9.215 1.00 0.00 H new ATOM 0 HB VAL A 10 6.104 -8.521 -11.261 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.589 -7.063 -9.932 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.243 -6.157 -10.663 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.201 -6.572 -8.933 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.318 -9.439 -9.317 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.914 -9.085 -8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.773 -10.277 -9.596 1.00 0.00 H new ATOM 119 N ARG A 11 3.525 -6.578 -11.999 1.00 0.00 N ATOM 120 CA ARG A 11 3.086 -5.320 -12.579 1.00 0.00 C ATOM 121 C ARG A 11 1.716 -4.926 -12.022 1.00 0.00 C ATOM 122 O ARG A 11 1.476 -3.758 -11.721 1.00 0.00 O ATOM 123 CB ARG A 11 2.999 -5.418 -14.103 1.00 0.00 C ATOM 124 CG ARG A 11 2.130 -4.297 -14.676 1.00 0.00 C ATOM 125 CD ARG A 11 2.300 -4.191 -16.193 1.00 0.00 C ATOM 126 NE ARG A 11 1.120 -3.528 -16.791 1.00 0.00 N ATOM 127 CZ ARG A 11 -0.112 -4.077 -16.841 1.00 0.00 C ATOM 128 NH1 ARG A 11 -0.336 -5.306 -16.328 1.00 0.00 N ATOM 129 NH2 ARG A 11 -1.095 -3.394 -17.398 1.00 0.00 N ATOM 0 H ARG A 11 3.564 -7.359 -12.653 1.00 0.00 H new ATOM 0 HA ARG A 11 3.821 -4.560 -12.315 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.999 -5.363 -14.532 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.584 -6.385 -14.386 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.083 -4.485 -14.436 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.399 -3.349 -14.209 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.202 -3.626 -16.427 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.426 -5.185 -16.623 1.00 0.00 H new ATOM 0 HE ARG A 11 1.245 -2.598 -17.190 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.429 -5.827 -15.899 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.270 -5.714 -16.370 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.917 -2.466 -17.782 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.032 -3.794 -17.444 1.00 0.00 H new ATOM 142 N ARG A 12 0.853 -5.925 -11.901 1.00 0.00 N ATOM 143 CA ARG A 12 -0.486 -5.698 -11.385 1.00 0.00 C ATOM 144 C ARG A 12 -0.452 -5.568 -9.861 1.00 0.00 C ATOM 145 O ARG A 12 -1.316 -4.921 -9.271 1.00 0.00 O ATOM 146 CB ARG A 12 -1.426 -6.842 -11.772 1.00 0.00 C ATOM 147 CG ARG A 12 -0.944 -8.170 -11.184 1.00 0.00 C ATOM 148 CD ARG A 12 -2.105 -9.154 -11.028 1.00 0.00 C ATOM 149 NE ARG A 12 -1.592 -10.541 -10.987 1.00 0.00 N ATOM 150 CZ ARG A 12 -1.387 -11.305 -12.080 1.00 0.00 C ATOM 151 NH1 ARG A 12 -1.650 -10.822 -13.313 1.00 0.00 N ATOM 152 NH2 ARG A 12 -0.924 -12.532 -11.927 1.00 0.00 N ATOM 0 H ARG A 12 1.055 -6.893 -12.151 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.859 -4.772 -11.824 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.433 -6.626 -11.415 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.482 -6.920 -12.858 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.181 -8.602 -11.831 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.478 -7.995 -10.214 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.658 -8.935 -10.114 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.803 -9.040 -11.858 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.380 -10.945 -10.075 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.007 -9.873 -13.424 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.492 -11.406 -14.134 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.727 -12.890 -10.992 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.764 -13.122 -12.743 1.00 0.00 H new ATOM 165 N LYS A 13 0.553 -6.193 -9.267 1.00 0.00 N ATOM 166 CA LYS A 13 0.711 -6.155 -7.823 1.00 0.00 C ATOM 167 C LYS A 13 1.309 -4.807 -7.415 1.00 0.00 C ATOM 168 O LYS A 13 0.942 -4.247 -6.383 1.00 0.00 O ATOM 169 CB LYS A 13 1.522 -7.359 -7.340 1.00 0.00 C ATOM 170 CG LYS A 13 0.678 -8.263 -6.440 1.00 0.00 C ATOM 171 CD LYS A 13 -0.387 -9.004 -7.250 1.00 0.00 C ATOM 172 CE LYS A 13 -1.505 -9.522 -6.344 1.00 0.00 C ATOM 173 NZ LYS A 13 -2.647 -8.579 -6.338 1.00 0.00 N ATOM 0 H LYS A 13 1.267 -6.729 -9.760 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.259 -6.236 -7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.882 -7.927 -8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.401 -7.015 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.322 -8.983 -5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.199 -7.665 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.805 -8.337 -8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.071 -9.838 -7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.836 -10.501 -6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.128 -9.652 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.397 -8.946 -5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.330 -7.653 -5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.017 -8.475 -7.305 1.00 0.00 H new ATOM 186 N ILE A 14 2.221 -4.325 -8.246 1.00 0.00 N ATOM 187 CA ILE A 14 2.875 -3.053 -7.985 1.00 0.00 C ATOM 188 C ILE A 14 1.866 -1.918 -8.178 1.00 0.00 C ATOM 189 O ILE A 14 1.768 -1.021 -7.342 1.00 0.00 O ATOM 190 CB ILE A 14 4.133 -2.911 -8.843 1.00 0.00 C ATOM 191 CG1 ILE A 14 5.069 -1.843 -8.270 1.00 0.00 C ATOM 192 CG2 ILE A 14 3.772 -2.633 -10.303 1.00 0.00 C ATOM 193 CD1 ILE A 14 4.522 -0.438 -8.531 1.00 0.00 C ATOM 0 H ILE A 14 2.523 -4.792 -9.101 1.00 0.00 H new ATOM 0 HA ILE A 14 3.217 -3.005 -6.951 1.00 0.00 H new ATOM 0 HB ILE A 14 4.672 -3.858 -8.820 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.189 -1.997 -7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.057 -1.942 -8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.684 -2.536 -10.891 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.174 -3.457 -10.693 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.200 -1.708 -10.366 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.205 0.302 -8.114 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.426 -0.279 -9.605 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.544 -0.335 -8.060 1.00 0.00 H new ATOM 205 N ARG A 15 1.142 -1.995 -9.285 1.00 0.00 N ATOM 206 CA ARG A 15 0.146 -0.986 -9.599 1.00 0.00 C ATOM 207 C ARG A 15 -1.020 -1.065 -8.610 1.00 0.00 C ATOM 208 O ARG A 15 -1.530 -0.038 -8.164 1.00 0.00 O ATOM 209 CB ARG A 15 -0.389 -1.162 -11.022 1.00 0.00 C ATOM 210 CG ARG A 15 -0.987 0.143 -11.550 1.00 0.00 C ATOM 211 CD ARG A 15 -0.106 0.746 -12.646 1.00 0.00 C ATOM 212 NE ARG A 15 -0.018 2.214 -12.476 1.00 0.00 N ATOM 213 CZ ARG A 15 -1.035 3.066 -12.725 1.00 0.00 C ATOM 214 NH1 ARG A 15 -2.226 2.603 -13.159 1.00 0.00 N ATOM 215 NH2 ARG A 15 -0.846 4.359 -12.539 1.00 0.00 N ATOM 0 H ARG A 15 1.226 -2.741 -9.976 1.00 0.00 H new ATOM 0 HA ARG A 15 0.627 -0.011 -9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.417 -1.489 -11.679 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.148 -1.945 -11.035 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.986 -0.044 -11.943 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.094 0.855 -10.732 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.891 0.307 -12.605 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.519 0.510 -13.627 1.00 0.00 H new ATOM 0 HE ARG A 15 0.866 2.606 -12.151 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.363 1.602 -13.301 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.989 3.254 -13.345 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.058 4.700 -12.212 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.604 5.017 -12.722 1.00 0.00 H new ATOM 228 N SER A 16 -1.406 -2.292 -8.297 1.00 0.00 N ATOM 229 CA SER A 16 -2.501 -2.519 -7.370 1.00 0.00 C ATOM 230 C SER A 16 -2.119 -2.015 -5.977 1.00 0.00 C ATOM 231 O SER A 16 -2.859 -1.244 -5.366 1.00 0.00 O ATOM 232 CB SER A 16 -2.878 -4.000 -7.313 1.00 0.00 C ATOM 233 OG SER A 16 -3.581 -4.417 -8.481 1.00 0.00 O ATOM 0 H SER A 16 -0.980 -3.141 -8.669 1.00 0.00 H new ATOM 0 HA SER A 16 -3.370 -1.965 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.975 -4.600 -7.200 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.495 -4.184 -6.433 1.00 0.00 H new ATOM 0 HG SER A 16 -2.942 -4.739 -9.150 1.00 0.00 H new ATOM 239 N LEU A 17 -0.965 -2.471 -5.513 1.00 0.00 N ATOM 240 CA LEU A 17 -0.476 -2.076 -4.203 1.00 0.00 C ATOM 241 C LEU A 17 -0.300 -0.557 -4.166 1.00 0.00 C ATOM 242 O LEU A 17 -0.619 0.084 -3.165 1.00 0.00 O ATOM 243 CB LEU A 17 0.795 -2.852 -3.850 1.00 0.00 C ATOM 244 CG LEU A 17 0.624 -4.357 -3.633 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.978 -5.069 -3.639 1.00 0.00 C ATOM 246 CD2 LEU A 17 -0.168 -4.640 -2.355 1.00 0.00 C ATOM 0 H LEU A 17 -0.354 -3.111 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.202 -2.331 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.523 -2.700 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.220 -2.420 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 17 0.046 -4.759 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.828 -6.137 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.469 -4.908 -4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.603 -4.670 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.275 -5.717 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.361 -4.222 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.155 -4.184 -2.430 1.00 0.00 H new ATOM 258 N GLN A 18 0.209 -0.025 -5.268 1.00 0.00 N ATOM 259 CA GLN A 18 0.432 1.407 -5.373 1.00 0.00 C ATOM 260 C GLN A 18 -0.859 2.169 -5.067 1.00 0.00 C ATOM 261 O GLN A 18 -0.880 3.036 -4.195 1.00 0.00 O ATOM 262 CB GLN A 18 0.972 1.777 -6.756 1.00 0.00 C ATOM 263 CG GLN A 18 1.405 3.243 -6.801 1.00 0.00 C ATOM 264 CD GLN A 18 2.204 3.541 -8.072 1.00 0.00 C ATOM 265 OE1 GLN A 18 3.220 4.217 -8.053 1.00 0.00 O ATOM 266 NE2 GLN A 18 1.690 3.000 -9.173 1.00 0.00 N ATOM 0 H GLN A 18 0.473 -0.560 -6.095 1.00 0.00 H new ATOM 0 HA GLN A 18 1.183 1.693 -4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.818 1.136 -7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.205 1.597 -7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.526 3.887 -6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.010 3.474 -5.924 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.836 2.445 -9.118 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.150 3.140 -10.073 1.00 0.00 H new ATOM 275 N GLU A 19 -1.904 1.819 -5.802 1.00 0.00 N ATOM 276 CA GLU A 19 -3.196 2.458 -5.620 1.00 0.00 C ATOM 277 C GLU A 19 -3.673 2.290 -4.176 1.00 0.00 C ATOM 278 O GLU A 19 -4.222 3.220 -3.587 1.00 0.00 O ATOM 279 CB GLU A 19 -4.227 1.904 -6.607 1.00 0.00 C ATOM 280 CG GLU A 19 -4.128 2.615 -7.958 1.00 0.00 C ATOM 281 CD GLU A 19 -5.501 3.108 -8.418 1.00 0.00 C ATOM 282 OE1 GLU A 19 -6.400 2.293 -8.674 1.00 0.00 O ATOM 283 OE2 GLU A 19 -5.618 4.390 -8.506 1.00 0.00 O ATOM 0 H GLU A 19 -1.882 1.100 -6.526 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.084 3.523 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.068 0.834 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.230 2.028 -6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.442 3.458 -7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.714 1.935 -8.702 1.00 0.00 H new ATOM 291 N GLN A 20 -3.447 1.095 -3.648 1.00 0.00 N ATOM 292 CA GLN A 20 -3.846 0.793 -2.283 1.00 0.00 C ATOM 293 C GLN A 20 -3.043 1.640 -1.295 1.00 0.00 C ATOM 294 O GLN A 20 -3.573 2.084 -0.278 1.00 0.00 O ATOM 295 CB GLN A 20 -3.689 -0.698 -1.984 1.00 0.00 C ATOM 296 CG GLN A 20 -3.554 -0.945 -0.480 1.00 0.00 C ATOM 297 CD GLN A 20 -3.855 -2.404 -0.133 1.00 0.00 C ATOM 298 OE1 GLN A 20 -4.566 -3.102 -0.838 1.00 0.00 O ATOM 299 NE2 GLN A 20 -3.276 -2.825 0.987 1.00 0.00 N ATOM 0 H GLN A 20 -2.993 0.325 -4.140 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.901 1.043 -2.169 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.551 -1.242 -2.370 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.810 -1.085 -2.500 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.545 -0.692 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.237 -0.291 0.062 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.693 -2.188 1.530 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.415 -3.785 1.303 1.00 0.00 H new ATOM 308 N ASN A 21 -1.775 1.837 -1.628 1.00 0.00 N ATOM 309 CA ASN A 21 -0.893 2.623 -0.782 1.00 0.00 C ATOM 310 C ASN A 21 -1.461 4.035 -0.631 1.00 0.00 C ATOM 311 O ASN A 21 -1.533 4.565 0.476 1.00 0.00 O ATOM 312 CB ASN A 21 0.503 2.738 -1.398 1.00 0.00 C ATOM 313 CG ASN A 21 1.405 1.596 -0.926 1.00 0.00 C ATOM 314 OD1 ASN A 21 2.287 1.769 -0.100 1.00 0.00 O ATOM 315 ND2 ASN A 21 1.138 0.423 -1.494 1.00 0.00 N ATOM 0 H ASN A 21 -1.338 1.466 -2.472 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.821 2.124 0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.427 2.721 -2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.948 3.695 -1.124 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.686 -0.401 -1.245 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.385 0.347 -2.178 1.00 0.00 H new ATOM 322 N TYR A 22 -1.851 4.605 -1.762 1.00 0.00 N ATOM 323 CA TYR A 22 -2.411 5.946 -1.770 1.00 0.00 C ATOM 324 C TYR A 22 -3.844 5.945 -1.233 1.00 0.00 C ATOM 325 O TYR A 22 -4.339 6.974 -0.774 1.00 0.00 O ATOM 326 CB TYR A 22 -2.428 6.387 -3.235 1.00 0.00 C ATOM 327 CG TYR A 22 -1.192 7.183 -3.660 1.00 0.00 C ATOM 328 CD1 TYR A 22 -0.009 6.526 -3.933 1.00 0.00 C ATOM 329 CD2 TYR A 22 -1.260 8.556 -3.769 1.00 0.00 C ATOM 330 CE1 TYR A 22 1.154 7.275 -4.333 1.00 0.00 C ATOM 331 CE2 TYR A 22 -0.096 9.305 -4.169 1.00 0.00 C ATOM 332 CZ TYR A 22 1.053 8.628 -4.432 1.00 0.00 C ATOM 333 OH TYR A 22 2.152 9.334 -4.809 1.00 0.00 O ATOM 0 H TYR A 22 -1.790 4.163 -2.679 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.822 6.612 -1.140 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.514 5.504 -3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.316 6.994 -3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.044 5.451 -3.847 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.185 9.070 -3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.086 6.774 -4.550 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.136 10.381 -4.258 1.00 0.00 H new ATOM 0 HH TYR A 22 1.933 10.289 -4.838 1.00 0.00 H new ATOM 343 N HIS A 23 -4.469 4.780 -1.310 1.00 0.00 N ATOM 344 CA HIS A 23 -5.836 4.633 -0.837 1.00 0.00 C ATOM 345 C HIS A 23 -5.849 4.599 0.692 1.00 0.00 C ATOM 346 O HIS A 23 -6.710 5.211 1.323 1.00 0.00 O ATOM 347 CB HIS A 23 -6.497 3.403 -1.463 1.00 0.00 C ATOM 348 CG HIS A 23 -7.995 3.522 -1.616 1.00 0.00 C ATOM 349 ND1 HIS A 23 -8.880 3.165 -0.614 1.00 0.00 N ATOM 350 CD2 HIS A 23 -8.752 3.960 -2.662 1.00 0.00 C ATOM 351 CE1 HIS A 23 -10.114 3.384 -1.049 1.00 0.00 C ATOM 352 NE2 HIS A 23 -10.031 3.876 -2.319 1.00 0.00 N ATOM 0 H HIS A 23 -4.055 3.930 -1.692 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.428 5.492 -1.151 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.055 3.225 -2.443 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.273 2.531 -0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.374 4.315 -3.609 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.024 3.205 -0.496 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.822 4.136 -2.908 1.00 0.00 H new ATOM 360 N LEU A 24 -4.885 3.878 1.245 1.00 0.00 N ATOM 361 CA LEU A 24 -4.775 3.756 2.689 1.00 0.00 C ATOM 362 C LEU A 24 -4.093 5.005 3.250 1.00 0.00 C ATOM 363 O LEU A 24 -4.357 5.405 4.384 1.00 0.00 O ATOM 364 CB LEU A 24 -4.073 2.450 3.064 1.00 0.00 C ATOM 365 CG LEU A 24 -4.858 1.165 2.796 1.00 0.00 C ATOM 366 CD1 LEU A 24 -3.921 0.024 2.395 1.00 0.00 C ATOM 367 CD2 LEU A 24 -5.731 0.795 3.995 1.00 0.00 C ATOM 0 H LEU A 24 -4.173 3.372 0.719 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.764 3.700 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.131 2.397 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.825 2.486 4.125 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.527 1.343 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.504 -0.878 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.380 0.298 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.210 -0.163 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.278 -0.122 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.100 0.642 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.438 1.601 4.193 1.00 0.00 H new ATOM 379 N GLU A 25 -3.228 5.587 2.432 1.00 0.00 N ATOM 380 CA GLU A 25 -2.505 6.783 2.833 1.00 0.00 C ATOM 381 C GLU A 25 -3.465 7.968 2.948 1.00 0.00 C ATOM 382 O GLU A 25 -3.408 8.727 3.915 1.00 0.00 O ATOM 383 CB GLU A 25 -1.369 7.089 1.858 1.00 0.00 C ATOM 384 CG GLU A 25 -0.781 8.478 2.119 1.00 0.00 C ATOM 385 CD GLU A 25 0.302 8.817 1.093 1.00 0.00 C ATOM 386 OE1 GLU A 25 1.412 8.269 1.160 1.00 0.00 O ATOM 387 OE2 GLU A 25 -0.043 9.685 0.202 1.00 0.00 O ATOM 0 H GLU A 25 -3.011 5.253 1.493 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.060 6.605 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.588 6.335 1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.739 7.033 0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.573 9.226 2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.360 8.515 3.124 1.00 0.00 H new ATOM 395 N ASN A 26 -4.326 8.092 1.948 1.00 0.00 N ATOM 396 CA ASN A 26 -5.296 9.173 1.924 1.00 0.00 C ATOM 397 C ASN A 26 -6.471 8.818 2.839 1.00 0.00 C ATOM 398 O ASN A 26 -7.084 9.700 3.438 1.00 0.00 O ATOM 399 CB ASN A 26 -5.845 9.390 0.513 1.00 0.00 C ATOM 400 CG ASN A 26 -4.733 9.816 -0.448 1.00 0.00 C ATOM 401 OD1 ASN A 26 -3.864 10.608 -0.121 1.00 0.00 O ATOM 402 ND2 ASN A 26 -4.808 9.249 -1.648 1.00 0.00 N ATOM 0 H ASN A 26 -4.372 7.461 1.148 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.796 10.082 2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.309 8.471 0.154 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.624 10.153 0.535 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.112 9.469 -2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.562 8.594 -1.856 1.00 0.00 H new ATOM 409 N GLU A 27 -6.749 7.525 2.916 1.00 0.00 N ATOM 410 CA GLU A 27 -7.839 7.042 3.747 1.00 0.00 C ATOM 411 C GLU A 27 -7.502 7.233 5.227 1.00 0.00 C ATOM 412 O GLU A 27 -8.329 7.719 5.998 1.00 0.00 O ATOM 413 CB GLU A 27 -8.155 5.578 3.441 1.00 0.00 C ATOM 414 CG GLU A 27 -9.182 5.020 4.429 1.00 0.00 C ATOM 415 CD GLU A 27 -8.698 3.702 5.037 1.00 0.00 C ATOM 416 OE1 GLU A 27 -7.997 2.930 4.366 1.00 0.00 O ATOM 417 OE2 GLU A 27 -9.075 3.492 6.253 1.00 0.00 O ATOM 0 H GLU A 27 -6.238 6.797 2.417 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.730 7.626 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.538 5.490 2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.240 4.987 3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.361 5.746 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.133 4.862 3.920 1.00 0.00 H new ATOM 425 N VAL A 28 -6.288 6.841 5.581 1.00 0.00 N ATOM 426 CA VAL A 28 -5.832 6.963 6.955 1.00 0.00 C ATOM 427 C VAL A 28 -5.699 8.444 7.315 1.00 0.00 C ATOM 428 O VAL A 28 -6.209 8.885 8.343 1.00 0.00 O ATOM 429 CB VAL A 28 -4.529 6.183 7.145 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.317 7.041 6.777 1.00 0.00 C ATOM 431 CG2 VAL A 28 -4.412 5.653 8.576 1.00 0.00 C ATOM 0 H VAL A 28 -5.605 6.438 4.940 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.560 6.526 7.639 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.549 5.327 6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.404 6.463 6.921 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.391 7.347 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.290 7.925 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.478 5.103 8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.424 6.489 9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.251 4.990 8.788 1.00 0.00 H new ATOM 441 N ALA A 29 -5.012 9.172 6.446 1.00 0.00 N ATOM 442 CA ALA A 29 -4.806 10.595 6.659 1.00 0.00 C ATOM 443 C ALA A 29 -6.148 11.258 6.975 1.00 0.00 C ATOM 444 O ALA A 29 -6.260 12.007 7.944 1.00 0.00 O ATOM 445 CB ALA A 29 -4.130 11.202 5.429 1.00 0.00 C ATOM 0 H ALA A 29 -4.591 8.803 5.593 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.146 10.765 7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.975 12.269 5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.168 10.716 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.764 11.054 4.555 1.00 0.00 H new ATOM 451 N ARG A 30 -7.131 10.959 6.138 1.00 0.00 N ATOM 452 CA ARG A 30 -8.460 11.517 6.317 1.00 0.00 C ATOM 453 C ARG A 30 -9.160 10.853 7.505 1.00 0.00 C ATOM 454 O ARG A 30 -10.078 11.427 8.088 1.00 0.00 O ATOM 455 CB ARG A 30 -9.312 11.324 5.060 1.00 0.00 C ATOM 456 CG ARG A 30 -9.793 12.670 4.513 1.00 0.00 C ATOM 457 CD ARG A 30 -10.273 12.533 3.066 1.00 0.00 C ATOM 458 NE ARG A 30 -10.648 13.860 2.530 1.00 0.00 N ATOM 459 CZ ARG A 30 -10.748 14.145 1.214 1.00 0.00 C ATOM 460 NH1 ARG A 30 -10.502 13.194 0.288 1.00 0.00 N ATOM 461 NH2 ARG A 30 -11.090 15.365 0.846 1.00 0.00 N ATOM 0 H ARG A 30 -7.033 10.338 5.335 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.348 12.584 6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.731 10.804 4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.170 10.693 5.291 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.604 13.051 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.983 13.398 4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.486 12.093 2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.128 11.858 3.020 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.843 14.607 3.197 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.239 12.253 0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.579 13.416 -0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.275 16.078 1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.170 15.595 -0.144 1.00 0.00 H new ATOM 474 N LEU A 31 -8.700 9.653 7.826 1.00 0.00 N ATOM 475 CA LEU A 31 -9.270 8.905 8.934 1.00 0.00 C ATOM 476 C LEU A 31 -8.982 9.642 10.243 1.00 0.00 C ATOM 477 O LEU A 31 -9.899 10.141 10.894 1.00 0.00 O ATOM 478 CB LEU A 31 -8.769 7.459 8.918 1.00 0.00 C ATOM 479 CG LEU A 31 -9.187 6.593 10.108 1.00 0.00 C ATOM 480 CD1 LEU A 31 -10.678 6.253 10.042 1.00 0.00 C ATOM 481 CD2 LEU A 31 -8.318 5.337 10.204 1.00 0.00 C ATOM 0 H LEU A 31 -7.939 9.180 7.338 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.354 8.843 8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.124 6.982 8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.680 7.473 8.868 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.027 7.167 11.021 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.949 5.637 10.899 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.262 7.173 10.057 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.886 5.707 9.122 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.636 4.739 11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.424 4.751 9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.275 5.625 10.331 1.00 0.00 H new ATOM 493 N LYS A 32 -7.705 9.687 10.591 1.00 0.00 N ATOM 494 CA LYS A 32 -7.285 10.355 11.811 1.00 0.00 C ATOM 495 C LYS A 32 -7.677 11.832 11.740 1.00 0.00 C ATOM 496 O LYS A 32 -8.085 12.417 12.742 1.00 0.00 O ATOM 497 CB LYS A 32 -5.792 10.127 12.060 1.00 0.00 C ATOM 498 CG LYS A 32 -4.951 11.209 11.379 1.00 0.00 C ATOM 499 CD LYS A 32 -4.637 10.830 9.931 1.00 0.00 C ATOM 500 CE LYS A 32 -3.670 9.645 9.872 1.00 0.00 C ATOM 501 NZ LYS A 32 -2.403 9.974 10.562 1.00 0.00 N ATOM 0 H LYS A 32 -6.947 9.272 10.049 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.798 9.930 12.674 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.594 10.128 13.132 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.503 9.146 11.684 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.486 12.158 11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.022 11.353 11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.560 10.577 9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.202 11.685 9.414 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.127 8.771 10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.468 9.384 8.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.646 9.353 10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.152 10.965 10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.519 9.836 11.586 1.00 0.00 H new ATOM 514 N LYS A 33 -7.540 12.391 10.547 1.00 0.00 N ATOM 515 CA LYS A 33 -7.876 13.789 10.333 1.00 0.00 C ATOM 516 C LYS A 33 -9.332 14.027 10.738 1.00 0.00 C ATOM 517 O LYS A 33 -9.605 14.784 11.668 1.00 0.00 O ATOM 518 CB LYS A 33 -7.563 14.200 8.893 1.00 0.00 C ATOM 519 CG LYS A 33 -7.922 15.668 8.652 1.00 0.00 C ATOM 520 CD LYS A 33 -7.327 16.168 7.333 1.00 0.00 C ATOM 521 CE LYS A 33 -6.188 17.158 7.586 1.00 0.00 C ATOM 522 NZ LYS A 33 -6.368 18.375 6.766 1.00 0.00 N ATOM 0 H LYS A 33 -7.201 11.902 9.719 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.261 14.430 10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.504 14.042 8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.119 13.567 8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.006 15.783 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.551 16.277 9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.957 15.322 6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.104 16.647 6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.158 17.425 8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.232 16.690 7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.587 19.036 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.374 18.117 5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.271 18.829 7.012 1.00 0.00 H new ATOM 535 N LEU A 34 -10.228 13.367 10.019 1.00 0.00 N ATOM 536 CA LEU A 34 -11.649 13.498 10.292 1.00 0.00 C ATOM 537 C LEU A 34 -11.914 13.173 11.764 1.00 0.00 C ATOM 538 O LEU A 34 -12.679 13.869 12.429 1.00 0.00 O ATOM 539 CB LEU A 34 -12.462 12.644 9.318 1.00 0.00 C ATOM 540 CG LEU A 34 -13.883 13.131 9.023 1.00 0.00 C ATOM 541 CD1 LEU A 34 -14.683 13.306 10.315 1.00 0.00 C ATOM 542 CD2 LEU A 34 -13.860 14.411 8.186 1.00 0.00 C ATOM 0 H LEU A 34 -9.998 12.740 9.248 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.975 14.525 10.129 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.917 12.584 8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.522 11.631 9.716 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.390 12.368 8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -15.688 13.653 10.076 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.743 12.352 10.838 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.189 14.039 10.953 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -14.882 14.736 7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.329 15.192 8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.353 14.218 7.240 1.00 0.00 H new ATOM 554 N VAL A 35 -11.265 12.116 12.229 1.00 0.00 N ATOM 555 CA VAL A 35 -11.420 11.690 13.609 1.00 0.00 C ATOM 556 C VAL A 35 -11.088 12.859 14.540 1.00 0.00 C ATOM 557 O VAL A 35 -11.974 13.402 15.200 1.00 0.00 O ATOM 558 CB VAL A 35 -10.560 10.453 13.876 1.00 0.00 C ATOM 559 CG1 VAL A 35 -10.556 10.098 15.364 1.00 0.00 C ATOM 560 CG2 VAL A 35 -11.031 9.267 13.031 1.00 0.00 C ATOM 0 H VAL A 35 -10.630 11.542 11.674 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.453 11.400 13.804 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.536 10.687 13.585 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.937 9.215 15.526 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.153 10.933 15.936 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.575 9.892 15.692 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.404 8.400 13.239 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.067 9.033 13.278 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.959 9.522 11.974 1.00 0.00 H new ATOM 719 N VAL B 10 10.562 -2.451 -10.054 1.00 0.00 N ATOM 720 CA VAL B 10 9.182 -2.846 -9.822 1.00 0.00 C ATOM 721 C VAL B 10 9.135 -3.885 -8.700 1.00 0.00 C ATOM 722 O VAL B 10 8.127 -4.009 -8.007 1.00 0.00 O ATOM 723 CB VAL B 10 8.556 -3.344 -11.125 1.00 0.00 C ATOM 724 CG1 VAL B 10 7.205 -4.013 -10.863 1.00 0.00 C ATOM 725 CG2 VAL B 10 8.416 -2.205 -12.137 1.00 0.00 C ATOM 0 HA VAL B 10 8.589 -1.991 -9.497 1.00 0.00 H new ATOM 0 HB VAL B 10 9.224 -4.092 -11.553 1.00 0.00 H new ATOM 0 HG11 VAL B 10 6.781 -4.358 -11.806 1.00 0.00 H new ATOM 0 HG12 VAL B 10 7.343 -4.863 -10.195 1.00 0.00 H new ATOM 0 HG13 VAL B 10 6.527 -3.295 -10.402 1.00 0.00 H new ATOM 0 HG21 VAL B 10 7.968 -2.587 -13.055 1.00 0.00 H new ATOM 0 HG22 VAL B 10 7.780 -1.424 -11.720 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.400 -1.792 -12.358 1.00 0.00 H new ATOM 735 N ARG B 11 10.239 -4.604 -8.556 1.00 0.00 N ATOM 736 CA ARG B 11 10.335 -5.629 -7.531 1.00 0.00 C ATOM 737 C ARG B 11 10.370 -4.988 -6.142 1.00 0.00 C ATOM 738 O ARG B 11 9.696 -5.451 -5.223 1.00 0.00 O ATOM 739 CB ARG B 11 11.591 -6.482 -7.721 1.00 0.00 C ATOM 740 CG ARG B 11 11.965 -7.205 -6.426 1.00 0.00 C ATOM 741 CD ARG B 11 13.096 -8.208 -6.665 1.00 0.00 C ATOM 742 NE ARG B 11 12.549 -9.459 -7.236 1.00 0.00 N ATOM 743 CZ ARG B 11 13.310 -10.479 -7.690 1.00 0.00 C ATOM 744 NH1 ARG B 11 14.657 -10.403 -7.643 1.00 0.00 N ATOM 745 NH2 ARG B 11 12.715 -11.550 -8.182 1.00 0.00 N ATOM 0 H ARG B 11 11.074 -4.497 -9.132 1.00 0.00 H new ATOM 0 HA ARG B 11 9.457 -6.269 -7.619 1.00 0.00 H new ATOM 0 HB2 ARG B 11 11.423 -7.212 -8.513 1.00 0.00 H new ATOM 0 HB3 ARG B 11 12.419 -5.850 -8.041 1.00 0.00 H new ATOM 0 HG2 ARG B 11 12.272 -6.477 -5.675 1.00 0.00 H new ATOM 0 HG3 ARG B 11 11.092 -7.723 -6.030 1.00 0.00 H new ATOM 0 HD2 ARG B 11 13.835 -7.781 -7.343 1.00 0.00 H new ATOM 0 HD3 ARG B 11 13.609 -8.420 -5.727 1.00 0.00 H new ATOM 0 HE ARG B 11 11.535 -9.557 -7.290 1.00 0.00 H new ATOM 0 HH11 ARG B 11 15.108 -9.571 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG B 11 15.224 -11.178 -7.988 1.00 0.00 H new ATOM 0 HH21 ARG B 11 11.697 -11.598 -8.215 1.00 0.00 H new ATOM 0 HH22 ARG B 11 13.274 -12.330 -8.529 1.00 0.00 H new ATOM 758 N ARG B 12 11.161 -3.930 -6.032 1.00 0.00 N ATOM 759 CA ARG B 12 11.291 -3.221 -4.771 1.00 0.00 C ATOM 760 C ARG B 12 10.045 -2.374 -4.507 1.00 0.00 C ATOM 761 O ARG B 12 9.730 -2.065 -3.358 1.00 0.00 O ATOM 762 CB ARG B 12 12.524 -2.314 -4.774 1.00 0.00 C ATOM 763 CG ARG B 12 12.392 -1.212 -5.826 1.00 0.00 C ATOM 764 CD ARG B 12 13.115 0.061 -5.381 1.00 0.00 C ATOM 765 NE ARG B 12 14.550 -0.024 -5.733 1.00 0.00 N ATOM 766 CZ ARG B 12 15.493 0.828 -5.277 1.00 0.00 C ATOM 767 NH1 ARG B 12 15.158 1.837 -4.445 1.00 0.00 N ATOM 768 NH2 ARG B 12 16.746 0.659 -5.656 1.00 0.00 N ATOM 0 H ARG B 12 11.718 -3.547 -6.796 1.00 0.00 H new ATOM 0 HA ARG B 12 11.402 -3.965 -3.982 1.00 0.00 H new ATOM 0 HB2 ARG B 12 12.653 -1.867 -3.788 1.00 0.00 H new ATOM 0 HB3 ARG B 12 13.416 -2.908 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG B 12 12.806 -1.557 -6.773 1.00 0.00 H new ATOM 0 HG3 ARG B 12 11.338 -0.994 -5.999 1.00 0.00 H new ATOM 0 HD2 ARG B 12 12.665 0.931 -5.860 1.00 0.00 H new ATOM 0 HD3 ARG B 12 13.003 0.196 -4.305 1.00 0.00 H new ATOM 0 HE ARG B 12 14.845 -0.773 -6.359 1.00 0.00 H new ATOM 0 HH11 ARG B 12 14.187 1.959 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG B 12 15.876 2.477 -4.104 1.00 0.00 H new ATOM 0 HH21 ARG B 12 16.990 -0.107 -6.284 1.00 0.00 H new ATOM 0 HH22 ARG B 12 17.470 1.294 -5.321 1.00 0.00 H new ATOM 781 N LYS B 13 9.367 -2.021 -5.590 1.00 0.00 N ATOM 782 CA LYS B 13 8.162 -1.216 -5.490 1.00 0.00 C ATOM 783 C LYS B 13 6.995 -2.104 -5.054 1.00 0.00 C ATOM 784 O LYS B 13 6.167 -1.693 -4.243 1.00 0.00 O ATOM 785 CB LYS B 13 7.908 -0.466 -6.799 1.00 0.00 C ATOM 786 CG LYS B 13 7.566 1.001 -6.532 1.00 0.00 C ATOM 787 CD LYS B 13 8.124 1.904 -7.635 1.00 0.00 C ATOM 788 CE LYS B 13 8.850 3.112 -7.040 1.00 0.00 C ATOM 789 NZ LYS B 13 10.258 2.771 -6.735 1.00 0.00 N ATOM 0 H LYS B 13 9.630 -2.278 -6.541 1.00 0.00 H new ATOM 0 HA LYS B 13 8.281 -0.447 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS B 13 8.791 -0.527 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.091 -0.941 -7.342 1.00 0.00 H new ATOM 0 HG2 LYS B 13 6.484 1.121 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS B 13 7.975 1.304 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.810 1.336 -8.263 1.00 0.00 H new ATOM 0 HD3 LYS B 13 7.312 2.244 -8.277 1.00 0.00 H new ATOM 0 HE2 LYS B 13 8.815 3.946 -7.741 1.00 0.00 H new ATOM 0 HE3 LYS B 13 8.343 3.437 -6.131 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 10.737 3.602 -6.332 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 10.285 1.989 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 10.742 2.482 -7.609 1.00 0.00 H new ATOM 802 N ILE B 14 6.967 -3.305 -5.612 1.00 0.00 N ATOM 803 CA ILE B 14 5.916 -4.255 -5.292 1.00 0.00 C ATOM 804 C ILE B 14 6.067 -4.706 -3.838 1.00 0.00 C ATOM 805 O ILE B 14 5.084 -4.776 -3.100 1.00 0.00 O ATOM 806 CB ILE B 14 5.912 -5.410 -6.296 1.00 0.00 C ATOM 807 CG1 ILE B 14 4.583 -6.169 -6.254 1.00 0.00 C ATOM 808 CG2 ILE B 14 7.108 -6.336 -6.071 1.00 0.00 C ATOM 809 CD1 ILE B 14 4.460 -6.986 -4.967 1.00 0.00 C ATOM 0 H ILE B 14 7.656 -3.642 -6.284 1.00 0.00 H new ATOM 0 HA ILE B 14 4.938 -3.783 -5.380 1.00 0.00 H new ATOM 0 HB ILE B 14 6.012 -4.992 -7.298 1.00 0.00 H new ATOM 0 HG12 ILE B 14 3.755 -5.464 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE B 14 4.510 -6.830 -7.117 1.00 0.00 H new ATOM 0 HG21 ILE B 14 7.081 -7.148 -6.798 1.00 0.00 H new ATOM 0 HG22 ILE B 14 8.033 -5.772 -6.191 1.00 0.00 H new ATOM 0 HG23 ILE B 14 7.064 -6.749 -5.063 1.00 0.00 H new ATOM 0 HD11 ILE B 14 3.507 -7.516 -4.962 1.00 0.00 H new ATOM 0 HD12 ILE B 14 5.276 -7.707 -4.914 1.00 0.00 H new ATOM 0 HD13 ILE B 14 4.509 -6.319 -4.106 1.00 0.00 H new ATOM 821 N ARG B 15 7.304 -5.001 -3.469 1.00 0.00 N ATOM 822 CA ARG B 15 7.597 -5.443 -2.116 1.00 0.00 C ATOM 823 C ARG B 15 7.435 -4.283 -1.132 1.00 0.00 C ATOM 824 O ARG B 15 6.901 -4.461 -0.038 1.00 0.00 O ATOM 825 CB ARG B 15 9.021 -5.995 -2.013 1.00 0.00 C ATOM 826 CG ARG B 15 9.113 -7.072 -0.930 1.00 0.00 C ATOM 827 CD ARG B 15 10.564 -7.505 -0.710 1.00 0.00 C ATOM 828 NE ARG B 15 10.605 -8.745 0.097 1.00 0.00 N ATOM 829 CZ ARG B 15 11.637 -9.615 0.094 1.00 0.00 C ATOM 830 NH1 ARG B 15 12.724 -9.387 -0.674 1.00 0.00 N ATOM 831 NH2 ARG B 15 11.568 -10.692 0.855 1.00 0.00 N ATOM 0 H ARG B 15 8.116 -4.943 -4.084 1.00 0.00 H new ATOM 0 HA ARG B 15 6.893 -6.237 -1.867 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.324 -6.413 -2.973 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.714 -5.185 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG B 15 8.698 -6.691 0.003 1.00 0.00 H new ATOM 0 HG3 ARG B 15 8.512 -7.935 -1.218 1.00 0.00 H new ATOM 0 HD2 ARG B 15 11.053 -7.670 -1.670 1.00 0.00 H new ATOM 0 HD3 ARG B 15 11.116 -6.713 -0.203 1.00 0.00 H new ATOM 0 HE ARG B 15 9.804 -8.955 0.692 1.00 0.00 H new ATOM 0 HH11 ARG B 15 12.770 -8.552 -1.258 1.00 0.00 H new ATOM 0 HH12 ARG B 15 13.499 -10.050 -0.670 1.00 0.00 H new ATOM 0 HH21 ARG B 15 10.744 -10.856 1.433 1.00 0.00 H new ATOM 0 HH22 ARG B 15 12.339 -11.360 0.865 1.00 0.00 H new ATOM 844 N SER B 16 7.906 -3.119 -1.556 1.00 0.00 N ATOM 845 CA SER B 16 7.820 -1.930 -0.726 1.00 0.00 C ATOM 846 C SER B 16 6.355 -1.546 -0.510 1.00 0.00 C ATOM 847 O SER B 16 5.941 -1.262 0.613 1.00 0.00 O ATOM 848 CB SER B 16 8.587 -0.763 -1.352 1.00 0.00 C ATOM 849 OG SER B 16 9.998 -0.923 -1.225 1.00 0.00 O ATOM 0 H SER B 16 8.348 -2.974 -2.464 1.00 0.00 H new ATOM 0 HA SER B 16 8.276 -2.154 0.238 1.00 0.00 H new ATOM 0 HB2 SER B 16 8.325 -0.681 -2.407 1.00 0.00 H new ATOM 0 HB3 SER B 16 8.283 0.169 -0.874 1.00 0.00 H new ATOM 0 HG SER B 16 10.352 -1.356 -2.030 1.00 0.00 H new ATOM 855 N LEU B 17 5.608 -1.550 -1.606 1.00 0.00 N ATOM 856 CA LEU B 17 4.198 -1.207 -1.551 1.00 0.00 C ATOM 857 C LEU B 17 3.468 -2.205 -0.650 1.00 0.00 C ATOM 858 O LEU B 17 2.597 -1.823 0.129 1.00 0.00 O ATOM 859 CB LEU B 17 3.614 -1.111 -2.962 1.00 0.00 C ATOM 860 CG LEU B 17 4.195 -0.012 -3.854 1.00 0.00 C ATOM 861 CD1 LEU B 17 4.173 -0.431 -5.326 1.00 0.00 C ATOM 862 CD2 LEU B 17 3.472 1.318 -3.626 1.00 0.00 C ATOM 0 H LEU B 17 5.954 -1.785 -2.536 1.00 0.00 H new ATOM 0 HA LEU B 17 4.064 -0.220 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU B 17 3.758 -2.070 -3.460 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.539 -0.954 -2.879 1.00 0.00 H new ATOM 0 HG LEU B 17 5.239 0.136 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.591 0.368 -5.938 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.766 -1.336 -5.456 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.145 -0.624 -5.634 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.904 2.082 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.414 1.201 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU B 17 3.583 1.618 -2.584 1.00 0.00 H new ATOM 874 N GLN B 18 3.851 -3.466 -0.787 1.00 0.00 N ATOM 875 CA GLN B 18 3.244 -4.523 0.005 1.00 0.00 C ATOM 876 C GLN B 18 3.432 -4.243 1.497 1.00 0.00 C ATOM 877 O GLN B 18 2.484 -4.345 2.274 1.00 0.00 O ATOM 878 CB GLN B 18 3.819 -5.890 -0.373 1.00 0.00 C ATOM 879 CG GLN B 18 2.770 -6.991 -0.205 1.00 0.00 C ATOM 880 CD GLN B 18 3.377 -8.229 0.457 1.00 0.00 C ATOM 881 OE1 GLN B 18 2.932 -8.690 1.496 1.00 0.00 O ATOM 882 NE2 GLN B 18 4.415 -8.740 -0.198 1.00 0.00 N ATOM 0 H GLN B 18 4.574 -3.780 -1.434 1.00 0.00 H new ATOM 0 HA GLN B 18 2.175 -4.543 -0.209 1.00 0.00 H new ATOM 0 HB2 GLN B 18 4.167 -5.869 -1.406 1.00 0.00 H new ATOM 0 HB3 GLN B 18 4.685 -6.110 0.251 1.00 0.00 H new ATOM 0 HG2 GLN B 18 1.942 -6.620 0.399 1.00 0.00 H new ATOM 0 HG3 GLN B 18 2.360 -7.259 -1.179 1.00 0.00 H new ATOM 0 HE21 GLN B 18 4.737 -8.305 -1.063 1.00 0.00 H new ATOM 0 HE22 GLN B 18 4.890 -9.567 0.164 1.00 0.00 H new ATOM 891 N GLU B 19 4.660 -3.895 1.851 1.00 0.00 N ATOM 892 CA GLU B 19 4.984 -3.598 3.236 1.00 0.00 C ATOM 893 C GLU B 19 4.131 -2.433 3.743 1.00 0.00 C ATOM 894 O GLU B 19 3.598 -2.486 4.850 1.00 0.00 O ATOM 895 CB GLU B 19 6.475 -3.298 3.399 1.00 0.00 C ATOM 896 CG GLU B 19 7.313 -4.563 3.206 1.00 0.00 C ATOM 897 CD GLU B 19 8.809 -4.248 3.290 1.00 0.00 C ATOM 898 OE1 GLU B 19 9.505 -4.267 2.264 1.00 0.00 O ATOM 899 OE2 GLU B 19 9.243 -3.976 4.474 1.00 0.00 O ATOM 0 H GLU B 19 5.443 -3.812 1.203 1.00 0.00 H new ATOM 0 HA GLU B 19 4.757 -4.478 3.838 1.00 0.00 H new ATOM 0 HB2 GLU B 19 6.779 -2.542 2.675 1.00 0.00 H new ATOM 0 HB3 GLU B 19 6.660 -2.883 4.390 1.00 0.00 H new ATOM 0 HG2 GLU B 19 7.049 -5.298 3.967 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.086 -5.010 2.238 1.00 0.00 H new ATOM 907 N GLN B 20 4.030 -1.409 2.909 1.00 0.00 N ATOM 908 CA GLN B 20 3.251 -0.233 3.259 1.00 0.00 C ATOM 909 C GLN B 20 1.761 -0.576 3.298 1.00 0.00 C ATOM 910 O GLN B 20 0.997 0.043 4.038 1.00 0.00 O ATOM 911 CB GLN B 20 3.525 0.915 2.286 1.00 0.00 C ATOM 912 CG GLN B 20 2.512 2.046 2.475 1.00 0.00 C ATOM 913 CD GLN B 20 2.981 3.325 1.776 1.00 0.00 C ATOM 914 OE1 GLN B 20 4.135 3.715 1.851 1.00 0.00 O ATOM 915 NE2 GLN B 20 2.026 3.951 1.096 1.00 0.00 N ATOM 0 H GLN B 20 4.474 -1.369 1.992 1.00 0.00 H new ATOM 0 HA GLN B 20 3.553 0.097 4.253 1.00 0.00 H new ATOM 0 HB2 GLN B 20 4.534 1.296 2.442 1.00 0.00 H new ATOM 0 HB3 GLN B 20 3.478 0.547 1.261 1.00 0.00 H new ATOM 0 HG2 GLN B 20 1.544 1.743 2.075 1.00 0.00 H new ATOM 0 HG3 GLN B 20 2.371 2.239 3.538 1.00 0.00 H new ATOM 0 HE21 GLN B 20 1.081 3.569 1.075 1.00 0.00 H new ATOM 0 HE22 GLN B 20 2.239 4.814 0.595 1.00 0.00 H new ATOM 924 N ASN B 21 1.391 -1.561 2.493 1.00 0.00 N ATOM 925 CA ASN B 21 0.005 -1.993 2.425 1.00 0.00 C ATOM 926 C ASN B 21 -0.409 -2.573 3.779 1.00 0.00 C ATOM 927 O ASN B 21 -1.479 -2.250 4.295 1.00 0.00 O ATOM 928 CB ASN B 21 -0.180 -3.083 1.368 1.00 0.00 C ATOM 929 CG ASN B 21 -0.692 -2.490 0.054 1.00 0.00 C ATOM 930 OD1 ASN B 21 -1.433 -3.111 -0.691 1.00 0.00 O ATOM 931 ND2 ASN B 21 -0.259 -1.256 -0.188 1.00 0.00 N ATOM 0 H ASN B 21 2.027 -2.073 1.882 1.00 0.00 H new ATOM 0 HA ASN B 21 -0.606 -1.129 2.163 1.00 0.00 H new ATOM 0 HB2 ASN B 21 0.768 -3.593 1.196 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -0.883 -3.832 1.732 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -0.546 -0.773 -1.039 1.00 0.00 H new ATOM 0 HD22 ASN B 21 0.360 -0.793 0.478 1.00 0.00 H new ATOM 938 N TYR B 22 0.459 -3.417 4.317 1.00 0.00 N ATOM 939 CA TYR B 22 0.195 -4.043 5.601 1.00 0.00 C ATOM 940 C TYR B 22 0.479 -3.077 6.752 1.00 0.00 C ATOM 941 O TYR B 22 -0.083 -3.216 7.838 1.00 0.00 O ATOM 942 CB TYR B 22 1.159 -5.228 5.698 1.00 0.00 C ATOM 943 CG TYR B 22 0.574 -6.549 5.194 1.00 0.00 C ATOM 944 CD1 TYR B 22 0.454 -6.779 3.839 1.00 0.00 C ATOM 945 CD2 TYR B 22 0.166 -7.511 6.097 1.00 0.00 C ATOM 946 CE1 TYR B 22 -0.097 -8.023 3.366 1.00 0.00 C ATOM 947 CE2 TYR B 22 -0.385 -8.754 5.623 1.00 0.00 C ATOM 948 CZ TYR B 22 -0.490 -8.949 4.281 1.00 0.00 C ATOM 949 OH TYR B 22 -1.010 -10.123 3.834 1.00 0.00 O ATOM 0 H TYR B 22 1.345 -3.682 3.887 1.00 0.00 H new ATOM 0 HA TYR B 22 -0.850 -4.345 5.672 1.00 0.00 H new ATOM 0 HB2 TYR B 22 2.058 -4.999 5.126 1.00 0.00 H new ATOM 0 HB3 TYR B 22 1.464 -5.351 6.737 1.00 0.00 H new ATOM 0 HD1 TYR B 22 0.773 -6.027 3.133 1.00 0.00 H new ATOM 0 HD2 TYR B 22 0.260 -7.331 7.158 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -0.196 -8.216 2.308 1.00 0.00 H new ATOM 0 HE2 TYR B 22 -0.708 -9.515 6.318 1.00 0.00 H new ATOM 0 HH TYR B 22 -1.246 -10.689 4.599 1.00 0.00 H new ATOM 959 N HIS B 23 1.350 -2.117 6.476 1.00 0.00 N ATOM 960 CA HIS B 23 1.715 -1.126 7.474 1.00 0.00 C ATOM 961 C HIS B 23 0.571 -0.125 7.645 1.00 0.00 C ATOM 962 O HIS B 23 0.209 0.224 8.768 1.00 0.00 O ATOM 963 CB HIS B 23 3.042 -0.456 7.115 1.00 0.00 C ATOM 964 CG HIS B 23 4.193 -0.856 8.005 1.00 0.00 C ATOM 965 ND1 HIS B 23 5.295 -0.045 8.217 1.00 0.00 N ATOM 966 CD2 HIS B 23 4.403 -1.989 8.735 1.00 0.00 C ATOM 967 CE1 HIS B 23 6.124 -0.671 9.039 1.00 0.00 C ATOM 968 NE2 HIS B 23 5.570 -1.876 9.359 1.00 0.00 N ATOM 0 H HIS B 23 1.814 -2.005 5.575 1.00 0.00 H new ATOM 0 HA HIS B 23 1.871 -1.614 8.436 1.00 0.00 H new ATOM 0 HB2 HIS B 23 3.293 -0.700 6.083 1.00 0.00 H new ATOM 0 HB3 HIS B 23 2.916 0.626 7.165 1.00 0.00 H new ATOM 0 HD2 HIS B 23 3.734 -2.835 8.795 1.00 0.00 H new ATOM 0 HE1 HIS B 23 7.072 -0.294 9.394 1.00 0.00 H new ATOM 0 HE2 HIS B 23 5.984 -2.575 9.976 1.00 0.00 H new ATOM 976 N LEU B 24 0.032 0.309 6.515 1.00 0.00 N ATOM 977 CA LEU B 24 -1.063 1.263 6.525 1.00 0.00 C ATOM 978 C LEU B 24 -2.360 0.540 6.892 1.00 0.00 C ATOM 979 O LEU B 24 -3.203 1.089 7.600 1.00 0.00 O ATOM 980 CB LEU B 24 -1.132 2.014 5.194 1.00 0.00 C ATOM 981 CG LEU B 24 -0.091 3.117 4.992 1.00 0.00 C ATOM 982 CD1 LEU B 24 1.254 2.722 5.605 1.00 0.00 C ATOM 983 CD2 LEU B 24 0.039 3.484 3.512 1.00 0.00 C ATOM 0 H LEU B 24 0.334 0.017 5.586 1.00 0.00 H new ATOM 0 HA LEU B 24 -0.897 2.026 7.286 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.027 1.291 4.385 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.124 2.456 5.100 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.433 4.009 5.516 1.00 0.00 H new ATOM 0 HD11 LEU B 24 1.975 3.524 5.447 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.130 2.551 6.674 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.616 1.810 5.131 1.00 0.00 H new ATOM 0 HD21 LEU B 24 0.785 4.270 3.396 1.00 0.00 H new ATOM 0 HD22 LEU B 24 0.347 2.605 2.945 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -0.922 3.838 3.139 1.00 0.00 H new ATOM 995 N GLU B 25 -2.480 -0.682 6.392 1.00 0.00 N ATOM 996 CA GLU B 25 -3.661 -1.485 6.658 1.00 0.00 C ATOM 997 C GLU B 25 -3.816 -1.720 8.162 1.00 0.00 C ATOM 998 O GLU B 25 -4.909 -1.574 8.707 1.00 0.00 O ATOM 999 CB GLU B 25 -3.603 -2.813 5.899 1.00 0.00 C ATOM 1000 CG GLU B 25 -4.637 -3.801 6.442 1.00 0.00 C ATOM 1001 CD GLU B 25 -4.535 -5.150 5.727 1.00 0.00 C ATOM 1002 OE1 GLU B 25 -4.369 -5.190 4.499 1.00 0.00 O ATOM 1003 OE2 GLU B 25 -4.633 -6.182 6.494 1.00 0.00 O ATOM 0 H GLU B 25 -1.779 -1.134 5.805 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.535 -0.939 6.304 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.784 -2.638 4.839 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -2.605 -3.242 5.985 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.485 -3.940 7.512 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.639 -3.392 6.313 1.00 0.00 H new ATOM 1011 N ASN B 26 -2.706 -2.081 8.789 1.00 0.00 N ATOM 1012 CA ASN B 26 -2.705 -2.337 10.220 1.00 0.00 C ATOM 1013 C ASN B 26 -2.799 -1.008 10.972 1.00 0.00 C ATOM 1014 O ASN B 26 -3.369 -0.945 12.060 1.00 0.00 O ATOM 1015 CB ASN B 26 -1.415 -3.037 10.653 1.00 0.00 C ATOM 1016 CG ASN B 26 -1.401 -4.495 10.191 1.00 0.00 C ATOM 1017 OD1 ASN B 26 -2.400 -5.194 10.226 1.00 0.00 O ATOM 1018 ND2 ASN B 26 -0.215 -4.914 9.758 1.00 0.00 N ATOM 0 H ASN B 26 -1.802 -2.202 8.333 1.00 0.00 H new ATOM 0 HA ASN B 26 -3.557 -2.978 10.449 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -0.555 -2.512 10.237 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -1.321 -2.995 11.738 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -0.102 -5.873 9.429 1.00 0.00 H new ATOM 0 HD22 ASN B 26 0.581 -4.277 9.755 1.00 0.00 H new ATOM 1025 N GLU B 27 -2.228 0.022 10.363 1.00 0.00 N ATOM 1026 CA GLU B 27 -2.240 1.345 10.961 1.00 0.00 C ATOM 1027 C GLU B 27 -3.673 1.871 11.057 1.00 0.00 C ATOM 1028 O GLU B 27 -4.137 2.223 12.141 1.00 0.00 O ATOM 1029 CB GLU B 27 -1.352 2.311 10.172 1.00 0.00 C ATOM 1030 CG GLU B 27 -1.299 3.682 10.848 1.00 0.00 C ATOM 1031 CD GLU B 27 0.110 3.986 11.360 1.00 0.00 C ATOM 1032 OE1 GLU B 27 0.678 3.190 12.121 1.00 0.00 O ATOM 1033 OE2 GLU B 27 0.615 5.097 10.939 1.00 0.00 O ATOM 0 H GLU B 27 -1.754 -0.034 9.461 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.833 1.271 11.970 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -0.345 1.902 10.092 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -1.735 2.416 9.157 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -1.607 4.452 10.141 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -2.005 3.710 11.678 1.00 0.00 H new ATOM 1041 N VAL B 28 -4.334 1.910 9.910 1.00 0.00 N ATOM 1042 CA VAL B 28 -5.705 2.388 9.852 1.00 0.00 C ATOM 1043 C VAL B 28 -6.574 1.544 10.786 1.00 0.00 C ATOM 1044 O VAL B 28 -7.258 2.080 11.656 1.00 0.00 O ATOM 1045 CB VAL B 28 -6.200 2.381 8.404 1.00 0.00 C ATOM 1046 CG1 VAL B 28 -5.166 3.007 7.468 1.00 0.00 C ATOM 1047 CG2 VAL B 28 -6.560 0.964 7.955 1.00 0.00 C ATOM 0 H VAL B 28 -3.946 1.618 9.013 1.00 0.00 H new ATOM 0 HA VAL B 28 -5.766 3.420 10.197 1.00 0.00 H new ATOM 0 HB VAL B 28 -7.105 2.987 8.356 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -5.543 2.989 6.445 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.980 4.038 7.768 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -4.236 2.440 7.522 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -6.909 0.987 6.923 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -5.680 0.325 8.026 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -7.348 0.569 8.596 1.00 0.00 H new ATOM 1057 N ALA B 29 -6.519 0.237 10.574 1.00 0.00 N ATOM 1058 CA ALA B 29 -7.293 -0.686 11.385 1.00 0.00 C ATOM 1059 C ALA B 29 -7.206 -0.265 12.853 1.00 0.00 C ATOM 1060 O ALA B 29 -8.220 0.058 13.472 1.00 0.00 O ATOM 1061 CB ALA B 29 -6.789 -2.113 11.157 1.00 0.00 C ATOM 0 H ALA B 29 -5.950 -0.204 9.852 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.344 -0.661 11.097 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -7.370 -2.806 11.766 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.900 -2.374 10.105 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.738 -2.177 11.438 1.00 0.00 H new ATOM 1067 N ARG B 30 -5.986 -0.281 13.368 1.00 0.00 N ATOM 1068 CA ARG B 30 -5.753 0.096 14.753 1.00 0.00 C ATOM 1069 C ARG B 30 -6.233 1.527 15.001 1.00 0.00 C ATOM 1070 O ARG B 30 -6.577 1.884 16.127 1.00 0.00 O ATOM 1071 CB ARG B 30 -4.268 -0.007 15.109 1.00 0.00 C ATOM 1072 CG ARG B 30 -4.057 0.118 16.619 1.00 0.00 C ATOM 1073 CD ARG B 30 -2.643 0.609 16.936 1.00 0.00 C ATOM 1074 NE ARG B 30 -2.477 0.766 18.398 1.00 0.00 N ATOM 1075 CZ ARG B 30 -1.290 0.962 19.008 1.00 0.00 C ATOM 1076 NH1 ARG B 30 -0.151 1.029 18.287 1.00 0.00 N ATOM 1077 NH2 ARG B 30 -1.258 1.090 20.322 1.00 0.00 N ATOM 0 H ARG B 30 -5.148 -0.549 12.852 1.00 0.00 H new ATOM 0 HA ARG B 30 -6.314 -0.593 15.384 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -3.872 -0.961 14.760 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -3.712 0.776 14.594 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -4.788 0.810 17.036 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -4.226 -0.848 17.095 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -1.909 -0.099 16.552 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -2.459 1.560 16.437 1.00 0.00 H new ATOM 0 HE ARG B 30 -3.313 0.723 18.981 1.00 0.00 H new ATOM 0 HH11 ARG B 30 -0.183 0.931 17.272 1.00 0.00 H new ATOM 0 HH12 ARG B 30 0.742 1.178 18.757 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -2.123 1.040 20.860 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -0.368 1.239 20.798 1.00 0.00 H new ATOM 1090 N LEU B 31 -6.239 2.309 13.931 1.00 0.00 N ATOM 1091 CA LEU B 31 -6.670 3.694 14.020 1.00 0.00 C ATOM 1092 C LEU B 31 -8.175 3.738 14.296 1.00 0.00 C ATOM 1093 O LEU B 31 -8.608 4.306 15.298 1.00 0.00 O ATOM 1094 CB LEU B 31 -6.253 4.465 12.766 1.00 0.00 C ATOM 1095 CG LEU B 31 -6.196 5.989 12.904 1.00 0.00 C ATOM 1096 CD1 LEU B 31 -6.232 6.408 14.375 1.00 0.00 C ATOM 1097 CD2 LEU B 31 -4.978 6.560 12.175 1.00 0.00 C ATOM 0 H LEU B 31 -5.953 2.010 12.999 1.00 0.00 H new ATOM 0 HA LEU B 31 -6.177 4.194 14.854 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -5.270 4.111 12.456 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -6.948 4.218 11.964 1.00 0.00 H new ATOM 0 HG LEU B 31 -7.082 6.409 12.428 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -6.190 7.495 14.445 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -7.154 6.050 14.833 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -5.377 5.978 14.897 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -4.961 7.644 12.289 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -4.068 6.136 12.600 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -5.036 6.307 11.116 1.00 0.00 H new ATOM 1109 N LYS B 32 -8.928 3.131 13.392 1.00 0.00 N ATOM 1110 CA LYS B 32 -10.375 3.094 13.525 1.00 0.00 C ATOM 1111 C LYS B 32 -10.741 2.531 14.900 1.00 0.00 C ATOM 1112 O LYS B 32 -11.786 2.867 15.454 1.00 0.00 O ATOM 1113 CB LYS B 32 -11.002 2.327 12.360 1.00 0.00 C ATOM 1114 CG LYS B 32 -10.840 3.096 11.046 1.00 0.00 C ATOM 1115 CD LYS B 32 -9.777 2.446 10.158 1.00 0.00 C ATOM 1116 CE LYS B 32 -10.060 2.715 8.679 1.00 0.00 C ATOM 1117 NZ LYS B 32 -11.453 2.346 8.342 1.00 0.00 N ATOM 0 H LYS B 32 -8.564 2.660 12.564 1.00 0.00 H new ATOM 0 HA LYS B 32 -10.788 4.101 13.471 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -10.534 1.347 12.272 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -12.060 2.158 12.559 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -11.793 3.125 10.517 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -10.561 4.128 11.257 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -8.792 2.833 10.420 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -9.755 1.371 10.338 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.893 3.769 8.457 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -9.367 2.145 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.479 1.917 7.395 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -11.810 1.664 9.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -12.050 3.197 8.353 1.00 0.00 H new ATOM 1130 N LYS B 33 -9.860 1.685 15.411 1.00 0.00 N ATOM 1131 CA LYS B 33 -10.077 1.071 16.710 1.00 0.00 C ATOM 1132 C LYS B 33 -9.704 2.068 17.809 1.00 0.00 C ATOM 1133 O LYS B 33 -10.361 2.128 18.847 1.00 0.00 O ATOM 1134 CB LYS B 33 -9.327 -0.260 16.806 1.00 0.00 C ATOM 1135 CG LYS B 33 -9.661 -0.983 18.113 1.00 0.00 C ATOM 1136 CD LYS B 33 -9.801 -2.490 17.885 1.00 0.00 C ATOM 1137 CE LYS B 33 -11.198 -2.837 17.365 1.00 0.00 C ATOM 1138 NZ LYS B 33 -11.145 -3.172 15.924 1.00 0.00 N ATOM 0 H LYS B 33 -8.993 1.410 14.949 1.00 0.00 H new ATOM 0 HA LYS B 33 -11.131 0.827 16.845 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -9.591 -0.892 15.958 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.253 -0.082 16.749 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -8.878 -0.794 18.848 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -10.589 -0.586 18.526 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -9.049 -2.825 17.170 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.613 -3.022 18.818 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -11.603 -3.680 17.926 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -11.872 -1.995 17.524 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -11.999 -3.703 15.659 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -11.095 -2.296 15.366 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -10.303 -3.752 15.733 1.00 0.00 H new ATOM 1151 N LEU B 34 -8.650 2.827 17.543 1.00 0.00 N ATOM 1152 CA LEU B 34 -8.182 3.818 18.496 1.00 0.00 C ATOM 1153 C LEU B 34 -9.131 5.019 18.484 1.00 0.00 C ATOM 1154 O LEU B 34 -9.602 5.451 19.535 1.00 0.00 O ATOM 1155 CB LEU B 34 -6.723 4.184 18.215 1.00 0.00 C ATOM 1156 CG LEU B 34 -5.873 4.539 19.436 1.00 0.00 C ATOM 1157 CD1 LEU B 34 -4.532 3.805 19.401 1.00 0.00 C ATOM 1158 CD2 LEU B 34 -5.696 6.053 19.560 1.00 0.00 C ATOM 0 H LEU B 34 -8.107 2.775 16.681 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.195 3.411 19.507 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.252 3.347 17.700 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.707 5.030 17.528 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.400 4.204 20.329 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.947 4.075 20.280 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.706 2.729 19.397 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.986 4.087 18.501 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.088 6.278 20.436 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.201 6.436 18.667 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.672 6.526 19.665 1.00 0.00 H new ATOM 1170 N VAL B 35 -9.383 5.522 17.285 1.00 0.00 N ATOM 1171 CA VAL B 35 -10.266 6.663 17.123 1.00 0.00 C ATOM 1172 C VAL B 35 -11.557 6.419 17.907 1.00 0.00 C ATOM 1173 O VAL B 35 -11.945 7.235 18.742 1.00 0.00 O ATOM 1174 CB VAL B 35 -10.511 6.929 15.636 1.00 0.00 C ATOM 1175 CG1 VAL B 35 -9.190 7.113 14.888 1.00 0.00 C ATOM 1176 CG2 VAL B 35 -11.345 5.810 15.009 1.00 0.00 C ATOM 0 H VAL B 35 -8.991 5.160 16.416 1.00 0.00 H new ATOM 0 HA VAL B 35 -9.804 7.563 17.529 1.00 0.00 H new ATOM 0 HB VAL B 35 -11.077 7.857 15.550 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -9.392 7.301 13.833 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -8.648 7.959 15.310 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -8.587 6.210 14.987 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -11.505 6.024 13.952 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -10.818 4.862 15.112 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -12.308 5.746 15.516 1.00 0.00 H new