USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 454 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 23 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.16) USER MOD Set 1.2: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 19 TYR OH : rot -119:sc= 0.69 USER MOD Set 2.2: A 35 ASN : amide:sc= 0.479 K(o=1.2,f=0.012!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 24 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.042) USER MOD Single : A 28 SER OG : rot 180:sc= 0.567 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.0474 K(o=-0.047,f=-0.56) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.862 K(o=0.86,f=-0.57) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot -121:sc= 0.927 USER MOD ----------------------------------------------------------------- ATOM 8 N ALA A 12 1.570 2.265 -0.324 1.00 0.00 N ATOM 9 CA ALA A 12 1.900 3.673 -0.514 1.00 0.00 C ATOM 10 C ALA A 12 2.056 4.387 0.824 1.00 0.00 C ATOM 11 O ALA A 12 2.971 5.188 1.007 1.00 0.00 O ATOM 12 CB ALA A 12 0.838 4.357 -1.362 1.00 0.00 C ATOM 0 HA ALA A 12 2.855 3.728 -1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.099 5.407 -1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.782 3.871 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.129 4.283 -0.864 1.00 0.00 H new ATOM 18 N PRO A 13 1.155 4.090 1.755 1.00 0.00 N ATOM 19 CA PRO A 13 1.212 4.675 3.089 1.00 0.00 C ATOM 20 C PRO A 13 2.556 4.404 3.752 1.00 0.00 C ATOM 21 O PRO A 13 3.127 5.278 4.403 1.00 0.00 O ATOM 22 CB PRO A 13 0.054 4.010 3.839 1.00 0.00 C ATOM 23 CG PRO A 13 -0.911 3.628 2.769 1.00 0.00 C ATOM 24 CD PRO A 13 -0.062 3.193 1.603 1.00 0.00 C ATOM 0 HA PRO A 13 1.118 5.761 3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.392 3.138 4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.399 4.694 4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.566 2.823 3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.550 4.468 2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.199 2.136 1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.567 3.347 0.649 1.00 0.00 H new ATOM 32 N GLY A 14 3.058 3.184 3.584 1.00 0.00 N ATOM 33 CA GLY A 14 4.344 2.799 4.153 1.00 0.00 C ATOM 34 C GLY A 14 5.490 3.531 3.466 1.00 0.00 C ATOM 35 O GLY A 14 6.452 3.944 4.114 1.00 0.00 O ATOM 0 H GLY A 14 2.592 2.445 3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.354 3.022 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.483 1.723 4.051 1.00 0.00 H new ATOM 39 N ILE A 15 5.382 3.688 2.151 1.00 0.00 N ATOM 40 CA ILE A 15 6.395 4.397 1.379 1.00 0.00 C ATOM 41 C ILE A 15 6.464 5.866 1.776 1.00 0.00 C ATOM 42 O ILE A 15 7.548 6.419 1.960 1.00 0.00 O ATOM 43 CB ILE A 15 6.126 4.295 -0.134 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.326 2.857 -0.617 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.031 5.248 -0.900 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.803 2.603 -2.012 1.00 0.00 C ATOM 0 H ILE A 15 4.602 3.333 1.597 1.00 0.00 H new ATOM 0 HA ILE A 15 7.350 3.920 1.602 1.00 0.00 H new ATOM 0 HB ILE A 15 5.091 4.579 -0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.389 2.619 -0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.829 2.178 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.828 5.163 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.841 6.271 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.073 4.994 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.981 1.562 -2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.733 2.808 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.317 3.255 -2.718 1.00 0.00 H new ATOM 58 N ILE A 16 5.300 6.493 1.907 1.00 0.00 N ATOM 59 CA ILE A 16 5.226 7.912 2.233 1.00 0.00 C ATOM 60 C ILE A 16 5.730 8.180 3.645 1.00 0.00 C ATOM 61 O ILE A 16 6.534 9.086 3.866 1.00 0.00 O ATOM 62 CB ILE A 16 3.790 8.448 2.099 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.349 8.436 0.634 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.690 9.852 2.677 1.00 0.00 C ATOM 65 CD1 ILE A 16 1.869 8.680 0.438 1.00 0.00 C ATOM 0 H ILE A 16 4.393 6.040 1.792 1.00 0.00 H new ATOM 0 HA ILE A 16 5.865 8.432 1.519 1.00 0.00 H new ATOM 0 HB ILE A 16 3.123 7.796 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.908 9.197 0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.610 7.474 0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.668 10.216 2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.963 9.831 3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.367 10.516 2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.634 8.657 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.301 7.905 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.604 9.655 0.847 1.00 0.00 H new ATOM 77 N LEU A 17 5.252 7.387 4.598 1.00 0.00 N ATOM 78 CA LEU A 17 5.656 7.536 5.992 1.00 0.00 C ATOM 79 C LEU A 17 7.156 7.334 6.155 1.00 0.00 C ATOM 80 O LEU A 17 7.842 8.162 6.753 1.00 0.00 O ATOM 81 CB LEU A 17 4.884 6.548 6.875 1.00 0.00 C ATOM 82 CG LEU A 17 5.216 6.612 8.371 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.871 7.989 8.923 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.448 5.527 9.110 1.00 0.00 C ATOM 0 H LEU A 17 4.584 6.634 4.431 1.00 0.00 H new ATOM 0 HA LEU A 17 5.419 8.552 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.817 6.729 6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.080 5.537 6.519 1.00 0.00 H new ATOM 0 HG LEU A 17 6.283 6.444 8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.110 8.025 9.986 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.449 8.748 8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.807 8.181 8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.685 5.573 10.173 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.378 5.679 8.970 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.730 4.550 8.718 1.00 0.00 H new ATOM 96 N ARG A 18 7.661 6.227 5.619 1.00 0.00 N ATOM 97 CA ARG A 18 9.094 5.958 5.626 1.00 0.00 C ATOM 98 C ARG A 18 9.873 7.103 4.993 1.00 0.00 C ATOM 99 O ARG A 18 10.890 7.544 5.528 1.00 0.00 O ATOM 100 CB ARG A 18 9.430 4.626 4.971 1.00 0.00 C ATOM 101 CG ARG A 18 10.912 4.294 4.921 1.00 0.00 C ATOM 102 CD ARG A 18 11.222 2.959 4.347 1.00 0.00 C ATOM 103 NE ARG A 18 12.642 2.690 4.181 1.00 0.00 N ATOM 104 CZ ARG A 18 13.152 1.525 3.737 1.00 0.00 C ATOM 105 NH1 ARG A 18 12.369 0.508 3.448 1.00 0.00 N ATOM 106 NH2 ARG A 18 14.464 1.422 3.620 1.00 0.00 N ATOM 0 H ARG A 18 7.098 5.502 5.174 1.00 0.00 H new ATOM 0 HA ARG A 18 9.401 5.883 6.669 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.913 3.832 5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.039 4.629 3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.423 5.056 4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.318 4.345 5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.792 2.192 4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.732 2.872 3.377 1.00 0.00 H new ATOM 0 HE ARG A 18 13.297 3.435 4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.359 0.595 3.559 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.772 -0.367 3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.061 2.212 3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.880 0.552 3.286 1.00 0.00 H new ATOM 120 N TYR A 19 9.390 7.581 3.851 1.00 0.00 N ATOM 121 CA TYR A 19 10.015 8.705 3.166 1.00 0.00 C ATOM 122 C TYR A 19 10.116 9.921 4.079 1.00 0.00 C ATOM 123 O TYR A 19 11.180 10.525 4.208 1.00 0.00 O ATOM 124 CB TYR A 19 9.233 9.063 1.899 1.00 0.00 C ATOM 125 CG TYR A 19 9.681 10.350 1.245 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.863 10.409 0.522 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.920 11.505 1.352 1.00 0.00 C ATOM 128 CE1 TYR A 19 11.278 11.583 -0.077 1.00 0.00 C ATOM 129 CE2 TYR A 19 9.324 12.684 0.757 1.00 0.00 C ATOM 130 CZ TYR A 19 10.503 12.719 0.042 1.00 0.00 C ATOM 131 OH TYR A 19 10.910 13.891 -0.553 1.00 0.00 O ATOM 0 H TYR A 19 8.566 7.206 3.380 1.00 0.00 H new ATOM 0 HA TYR A 19 11.025 8.404 2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.331 8.249 1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.175 9.143 2.148 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.470 9.521 0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.996 11.482 1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.203 11.612 -0.635 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.720 13.574 0.851 1.00 0.00 H new ATOM 0 HH TYR A 19 11.045 14.577 0.134 1.00 0.00 H new ATOM 141 N LEU A 20 9.001 10.275 4.709 1.00 0.00 N ATOM 142 CA LEU A 20 8.940 11.469 5.544 1.00 0.00 C ATOM 143 C LEU A 20 9.845 11.336 6.761 1.00 0.00 C ATOM 144 O LEU A 20 10.434 12.316 7.218 1.00 0.00 O ATOM 145 CB LEU A 20 7.493 11.734 5.981 1.00 0.00 C ATOM 146 CG LEU A 20 6.542 12.170 4.860 1.00 0.00 C ATOM 147 CD1 LEU A 20 5.108 12.193 5.371 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.954 13.542 4.347 1.00 0.00 C ATOM 0 H LEU A 20 8.127 9.752 4.657 1.00 0.00 H new ATOM 0 HA LEU A 20 9.294 12.315 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.097 10.828 6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.498 12.505 6.751 1.00 0.00 H new ATOM 0 HG LEU A 20 6.599 11.457 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.440 12.504 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.827 11.196 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.029 12.895 6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.277 13.851 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.908 14.264 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.972 13.495 3.961 1.00 0.00 H new ATOM 160 N GLN A 21 9.953 10.119 7.283 1.00 0.00 N ATOM 161 CA GLN A 21 10.777 9.859 8.458 1.00 0.00 C ATOM 162 C GLN A 21 12.259 9.910 8.113 1.00 0.00 C ATOM 163 O GLN A 21 13.069 10.431 8.880 1.00 0.00 O ATOM 164 CB GLN A 21 10.433 8.495 9.062 1.00 0.00 C ATOM 165 CG GLN A 21 9.105 8.457 9.799 1.00 0.00 C ATOM 166 CD GLN A 21 8.781 7.076 10.335 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.471 6.098 10.032 1.00 0.00 O ATOM 168 NE2 GLN A 21 7.723 6.985 11.134 1.00 0.00 N ATOM 0 H GLN A 21 9.480 9.296 6.910 1.00 0.00 H new ATOM 0 HA GLN A 21 10.566 10.639 9.190 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.415 7.752 8.265 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.226 8.205 9.751 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.131 9.168 10.625 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.310 8.779 9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.180 7.819 11.359 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.454 6.081 11.523 1.00 0.00 H new ATOM 177 N GLU A 22 12.611 9.365 6.953 1.00 0.00 N ATOM 178 CA GLU A 22 14.001 9.319 6.518 1.00 0.00 C ATOM 179 C GLU A 22 14.515 10.709 6.163 1.00 0.00 C ATOM 180 O GLU A 22 15.684 11.024 6.382 1.00 0.00 O ATOM 181 CB GLU A 22 14.157 8.379 5.319 1.00 0.00 C ATOM 182 CG GLU A 22 14.084 6.900 5.668 1.00 0.00 C ATOM 183 CD GLU A 22 14.239 6.041 4.443 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.241 6.579 3.361 1.00 0.00 O ATOM 185 OE2 GLU A 22 14.467 4.864 4.591 1.00 0.00 O ATOM 0 H GLU A 22 11.951 8.948 6.297 1.00 0.00 H new ATOM 0 HA GLU A 22 14.596 8.937 7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.379 8.607 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.114 8.580 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.865 6.655 6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.129 6.684 6.148 1.00 0.00 H new ATOM 192 N GLN A 23 13.633 11.537 5.612 1.00 0.00 N ATOM 193 CA GLN A 23 13.995 12.895 5.228 1.00 0.00 C ATOM 194 C GLN A 23 13.931 13.841 6.421 1.00 0.00 C ATOM 195 O GLN A 23 14.732 14.769 6.532 1.00 0.00 O ATOM 196 CB GLN A 23 13.069 13.402 4.118 1.00 0.00 C ATOM 197 CG GLN A 23 13.185 12.633 2.813 1.00 0.00 C ATOM 198 CD GLN A 23 14.597 12.640 2.259 1.00 0.00 C ATOM 199 OE1 GLN A 23 15.238 13.690 2.171 1.00 0.00 O ATOM 200 NE2 GLN A 23 15.086 11.467 1.877 1.00 0.00 N ATOM 0 H GLN A 23 12.662 11.290 5.422 1.00 0.00 H new ATOM 0 HA GLN A 23 15.020 12.872 4.859 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.038 13.349 4.468 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.288 14.453 3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.866 11.603 2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.507 13.067 2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.519 10.624 1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.029 11.408 1.492 1.00 0.00 H new ATOM 209 N ASN A 24 12.976 13.599 7.312 1.00 0.00 N ATOM 210 CA ASN A 24 12.797 14.438 8.490 1.00 0.00 C ATOM 211 C ASN A 24 12.398 15.856 8.102 1.00 0.00 C ATOM 212 O ASN A 24 12.710 16.814 8.809 1.00 0.00 O ATOM 213 CB ASN A 24 14.048 14.461 9.350 1.00 0.00 C ATOM 214 CG ASN A 24 14.350 13.147 10.014 1.00 0.00 C ATOM 215 OD1 ASN A 24 13.528 12.600 10.758 1.00 0.00 O ATOM 216 ND2 ASN A 24 15.556 12.678 9.814 1.00 0.00 N ATOM 0 H ASN A 24 12.313 12.827 7.240 1.00 0.00 H new ATOM 0 HA ASN A 24 11.989 14.001 9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.898 14.749 8.731 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.937 15.228 10.116 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.855 11.823 10.283 1.00 0.00 H new ATOM 0 HD22 ASN A 24 16.197 13.168 9.190 1.00 0.00 H new ATOM 223 N ARG A 25 11.708 15.983 6.974 1.00 0.00 N ATOM 224 CA ARG A 25 11.315 17.290 6.459 1.00 0.00 C ATOM 225 C ARG A 25 9.884 17.269 5.939 1.00 0.00 C ATOM 226 O ARG A 25 9.417 16.255 5.419 1.00 0.00 O ATOM 227 CB ARG A 25 12.284 17.807 5.406 1.00 0.00 C ATOM 228 CG ARG A 25 13.692 18.075 5.910 1.00 0.00 C ATOM 229 CD ARG A 25 13.804 19.241 6.824 1.00 0.00 C ATOM 230 NE ARG A 25 15.165 19.579 7.208 1.00 0.00 N ATOM 231 CZ ARG A 25 15.828 19.025 8.242 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.248 18.138 9.021 1.00 0.00 N ATOM 233 NH2 ARG A 25 17.069 19.416 8.469 1.00 0.00 N ATOM 0 H ARG A 25 11.409 15.196 6.398 1.00 0.00 H new ATOM 0 HA ARG A 25 11.356 17.989 7.294 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.336 17.082 4.594 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.883 18.729 4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 25 14.055 17.187 6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.347 18.235 5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.350 20.108 6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.226 19.037 7.725 1.00 0.00 H new ATOM 0 HE ARG A 25 15.652 20.285 6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.282 17.860 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.764 17.728 9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.500 20.119 7.869 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.596 19.015 9.244 1.00 0.00 H new ATOM 247 N PRO A 26 9.192 18.394 6.080 1.00 0.00 N ATOM 248 CA PRO A 26 7.832 18.526 5.571 1.00 0.00 C ATOM 249 C PRO A 26 7.822 18.647 4.053 1.00 0.00 C ATOM 250 O PRO A 26 8.650 19.347 3.470 1.00 0.00 O ATOM 251 CB PRO A 26 7.299 19.791 6.253 1.00 0.00 C ATOM 252 CG PRO A 26 8.510 20.627 6.485 1.00 0.00 C ATOM 253 CD PRO A 26 9.618 19.651 6.777 1.00 0.00 C ATOM 0 HA PRO A 26 7.213 17.655 5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.575 20.307 5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.794 19.554 7.190 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.742 21.235 5.610 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.360 21.313 7.319 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.575 20.011 6.400 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.737 19.492 7.849 1.00 0.00 H new ATOM 261 N TYR A 27 6.881 17.958 3.415 1.00 0.00 N ATOM 262 CA TYR A 27 6.717 18.042 1.969 1.00 0.00 C ATOM 263 C TYR A 27 5.249 18.204 1.590 1.00 0.00 C ATOM 264 O TYR A 27 4.370 17.591 2.197 1.00 0.00 O ATOM 265 CB TYR A 27 7.300 16.800 1.292 1.00 0.00 C ATOM 266 CG TYR A 27 8.799 16.669 1.439 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.659 17.303 0.555 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.351 15.909 2.460 1.00 0.00 C ATOM 269 CE1 TYR A 27 11.029 17.187 0.684 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.720 15.786 2.600 1.00 0.00 C ATOM 271 CZ TYR A 27 11.556 16.427 1.709 1.00 0.00 C ATOM 272 OH TYR A 27 12.920 16.307 1.842 1.00 0.00 O ATOM 0 H TYR A 27 6.220 17.335 3.878 1.00 0.00 H new ATOM 0 HA TYR A 27 7.258 18.922 1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.825 15.913 1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.050 16.825 0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.250 17.898 -0.248 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.699 15.405 3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.684 17.688 -0.013 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.133 15.192 3.402 1.00 0.00 H new ATOM 0 HH TYR A 27 13.354 17.118 1.505 1.00 0.00 H new ATOM 282 N SER A 28 4.993 19.031 0.584 1.00 0.00 N ATOM 283 CA SER A 28 3.635 19.248 0.098 1.00 0.00 C ATOM 284 C SER A 28 3.060 17.979 -0.518 1.00 0.00 C ATOM 285 O SER A 28 3.798 17.051 -0.850 1.00 0.00 O ATOM 286 CB SER A 28 3.616 20.381 -0.910 1.00 0.00 C ATOM 287 OG SER A 28 4.178 20.004 -2.136 1.00 0.00 O ATOM 0 H SER A 28 5.708 19.563 0.088 1.00 0.00 H new ATOM 0 HA SER A 28 3.010 19.519 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.588 20.708 -1.068 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.163 21.233 -0.507 1.00 0.00 H new ATOM 0 HG SER A 28 4.145 20.761 -2.758 1.00 0.00 H new ATOM 293 N ALA A 29 1.741 17.945 -0.669 1.00 0.00 N ATOM 294 CA ALA A 29 1.077 16.843 -1.353 1.00 0.00 C ATOM 295 C ALA A 29 1.675 16.611 -2.735 1.00 0.00 C ATOM 296 O ALA A 29 1.764 15.475 -3.200 1.00 0.00 O ATOM 297 CB ALA A 29 -0.419 17.107 -1.457 1.00 0.00 C ATOM 0 H ALA A 29 1.110 18.669 -0.326 1.00 0.00 H new ATOM 0 HA ALA A 29 1.233 15.939 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.901 16.275 -1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.841 17.209 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.588 18.026 -2.018 1.00 0.00 H new ATOM 303 N GLN A 30 2.083 17.694 -3.386 1.00 0.00 N ATOM 304 CA GLN A 30 2.654 17.613 -4.725 1.00 0.00 C ATOM 305 C GLN A 30 4.110 17.167 -4.677 1.00 0.00 C ATOM 306 O GLN A 30 4.576 16.438 -5.552 1.00 0.00 O ATOM 307 CB GLN A 30 2.551 18.966 -5.435 1.00 0.00 C ATOM 308 CG GLN A 30 1.132 19.376 -5.790 1.00 0.00 C ATOM 309 CD GLN A 30 1.076 20.721 -6.488 1.00 0.00 C ATOM 310 OE1 GLN A 30 2.093 21.407 -6.628 1.00 0.00 O ATOM 311 NE2 GLN A 30 -0.115 21.110 -6.928 1.00 0.00 N ATOM 0 H GLN A 30 2.029 18.640 -3.008 1.00 0.00 H new ATOM 0 HA GLN A 30 2.084 16.871 -5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.990 19.733 -4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.146 18.931 -6.347 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.688 18.617 -6.434 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.530 19.416 -4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.930 20.512 -6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.215 22.007 -7.403 1.00 0.00 H new ATOM 320 N ASP A 31 4.825 17.610 -3.648 1.00 0.00 N ATOM 321 CA ASP A 31 6.218 17.223 -3.461 1.00 0.00 C ATOM 322 C ASP A 31 6.340 15.736 -3.155 1.00 0.00 C ATOM 323 O ASP A 31 7.222 15.055 -3.679 1.00 0.00 O ATOM 324 CB ASP A 31 6.857 18.044 -2.338 1.00 0.00 C ATOM 325 CG ASP A 31 7.149 19.492 -2.707 1.00 0.00 C ATOM 326 OD1 ASP A 31 7.106 19.809 -3.872 1.00 0.00 O ATOM 327 OD2 ASP A 31 7.257 20.301 -1.815 1.00 0.00 O ATOM 0 H ASP A 31 4.462 18.238 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 31 6.747 17.425 -4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.196 18.029 -1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.788 17.563 -2.037 1.00 0.00 H new ATOM 332 N VAL A 32 5.450 15.237 -2.304 1.00 0.00 N ATOM 333 CA VAL A 32 5.442 13.824 -1.945 1.00 0.00 C ATOM 334 C VAL A 32 5.122 12.951 -3.152 1.00 0.00 C ATOM 335 O VAL A 32 5.811 11.965 -3.417 1.00 0.00 O ATOM 336 CB VAL A 32 4.422 13.530 -0.829 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.275 12.030 -0.623 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.844 14.206 0.468 1.00 0.00 C ATOM 0 H VAL A 32 4.724 15.791 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 32 6.442 13.587 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 32 3.455 13.933 -1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.551 11.841 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.930 11.568 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.239 11.605 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.113 13.988 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.821 13.831 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.901 15.284 0.315 1.00 0.00 H new ATOM 348 N PHE A 33 4.075 13.320 -3.883 1.00 0.00 N ATOM 349 CA PHE A 33 3.702 12.610 -5.100 1.00 0.00 C ATOM 350 C PHE A 33 4.827 12.647 -6.127 1.00 0.00 C ATOM 351 O PHE A 33 5.282 11.605 -6.599 1.00 0.00 O ATOM 352 CB PHE A 33 2.426 13.206 -5.696 1.00 0.00 C ATOM 353 CG PHE A 33 2.170 12.792 -7.117 1.00 0.00 C ATOM 354 CD1 PHE A 33 1.997 11.456 -7.445 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.103 13.738 -8.129 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.761 11.074 -8.753 1.00 0.00 C ATOM 357 CE2 PHE A 33 1.867 13.360 -9.437 1.00 0.00 C ATOM 358 CZ PHE A 33 1.696 12.026 -9.749 1.00 0.00 C ATOM 0 H PHE A 33 3.469 14.108 -3.653 1.00 0.00 H new ATOM 0 HA PHE A 33 3.517 11.569 -4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.576 12.909 -5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.488 14.293 -5.650 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.047 10.705 -6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.237 14.783 -7.892 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.628 10.030 -8.995 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.816 14.108 -10.215 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.512 11.729 -10.771 1.00 0.00 H new ATOM 368 N GLY A 34 5.270 13.851 -6.467 1.00 0.00 N ATOM 369 CA GLY A 34 6.258 14.034 -7.524 1.00 0.00 C ATOM 370 C GLY A 34 7.512 13.212 -7.252 1.00 0.00 C ATOM 371 O GLY A 34 8.047 12.562 -8.151 1.00 0.00 O ATOM 0 H GLY A 34 4.960 14.717 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.828 13.741 -8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.521 15.089 -7.602 1.00 0.00 H new ATOM 375 N ASN A 35 7.978 13.247 -6.009 1.00 0.00 N ATOM 376 CA ASN A 35 9.212 12.564 -5.633 1.00 0.00 C ATOM 377 C ASN A 35 9.033 11.052 -5.657 1.00 0.00 C ATOM 378 O ASN A 35 9.910 10.320 -6.117 1.00 0.00 O ATOM 379 CB ASN A 35 9.701 13.014 -4.269 1.00 0.00 C ATOM 380 CG ASN A 35 10.285 14.399 -4.261 1.00 0.00 C ATOM 381 OD1 ASN A 35 10.686 14.931 -5.303 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.408 14.953 -3.083 1.00 0.00 N ATOM 0 H ASN A 35 7.520 13.741 -5.243 1.00 0.00 H new ATOM 0 HA ASN A 35 9.968 12.833 -6.371 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.870 12.976 -3.565 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.453 12.310 -3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.852 15.867 -2.993 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.060 14.471 -2.254 1.00 0.00 H new ATOM 389 N LEU A 36 7.891 10.588 -5.160 1.00 0.00 N ATOM 390 CA LEU A 36 7.617 9.158 -5.076 1.00 0.00 C ATOM 391 C LEU A 36 7.046 8.630 -6.385 1.00 0.00 C ATOM 392 O LEU A 36 6.879 7.422 -6.558 1.00 0.00 O ATOM 393 CB LEU A 36 6.653 8.871 -3.918 1.00 0.00 C ATOM 394 CG LEU A 36 7.163 9.272 -2.528 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.096 8.991 -1.479 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.442 8.508 -2.216 1.00 0.00 C ATOM 0 H LEU A 36 7.140 11.182 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 36 8.559 8.642 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.716 9.394 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.427 7.805 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 36 7.381 10.340 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.468 9.279 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.199 9.565 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.857 7.928 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.804 8.793 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.240 7.437 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.199 8.746 -2.963 1.00 0.00 H new ATOM 408 N GLN A 37 6.748 9.540 -7.305 1.00 0.00 N ATOM 409 CA GLN A 37 6.371 9.163 -8.662 1.00 0.00 C ATOM 410 C GLN A 37 7.577 8.679 -9.456 1.00 0.00 C ATOM 411 O GLN A 37 7.474 7.748 -10.254 1.00 0.00 O ATOM 412 CB GLN A 37 5.718 10.345 -9.385 1.00 0.00 C ATOM 413 CG GLN A 37 5.243 10.028 -10.792 1.00 0.00 C ATOM 414 CD GLN A 37 4.685 11.247 -11.503 1.00 0.00 C ATOM 415 OE1 GLN A 37 4.792 12.373 -11.010 1.00 0.00 O ATOM 416 NE2 GLN A 37 4.082 11.028 -12.666 1.00 0.00 N ATOM 0 H GLN A 37 6.760 10.546 -7.136 1.00 0.00 H new ATOM 0 HA GLN A 37 5.654 8.345 -8.590 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.869 10.692 -8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.432 11.168 -9.431 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.073 9.622 -11.370 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.477 9.254 -10.748 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.017 10.080 -13.036 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.684 11.808 -13.189 1.00 0.00 H new ATOM 425 N LYS A 38 8.721 9.317 -9.231 1.00 0.00 N ATOM 426 CA LYS A 38 9.945 8.966 -9.941 1.00 0.00 C ATOM 427 C LYS A 38 10.669 7.813 -9.256 1.00 0.00 C ATOM 428 O LYS A 38 11.298 6.985 -9.914 1.00 0.00 O ATOM 429 CB LYS A 38 10.870 10.180 -10.044 1.00 0.00 C ATOM 430 CG LYS A 38 10.317 11.322 -10.886 1.00 0.00 C ATOM 431 CD LYS A 38 11.295 12.486 -10.950 1.00 0.00 C ATOM 432 CE LYS A 38 10.728 13.643 -11.759 1.00 0.00 C ATOM 433 NZ LYS A 38 11.665 14.798 -11.812 1.00 0.00 N ATOM 0 H LYS A 38 8.826 10.080 -8.562 1.00 0.00 H new ATOM 0 HA LYS A 38 9.668 8.645 -10.945 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.075 10.551 -9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.823 9.861 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.107 10.965 -11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.371 11.662 -10.465 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.526 12.825 -9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.232 12.152 -11.397 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.511 13.305 -12.772 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.783 13.963 -11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.240 15.564 -12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.852 15.138 -10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.558 14.500 -12.254 1.00 0.00 H new ATOM 447 N GLU A 39 10.575 7.766 -7.932 1.00 0.00 N ATOM 448 CA GLU A 39 11.311 6.783 -7.146 1.00 0.00 C ATOM 449 C GLU A 39 10.562 5.458 -7.079 1.00 0.00 C ATOM 450 O GLU A 39 11.112 4.406 -7.404 1.00 0.00 O ATOM 451 CB GLU A 39 11.571 7.311 -5.734 1.00 0.00 C ATOM 452 CG GLU A 39 12.557 8.470 -5.668 1.00 0.00 C ATOM 453 CD GLU A 39 12.754 8.940 -4.254 1.00 0.00 C ATOM 454 OE1 GLU A 39 12.167 8.364 -3.368 1.00 0.00 O ATOM 455 OE2 GLU A 39 13.576 9.800 -4.043 1.00 0.00 O ATOM 0 H GLU A 39 9.995 8.398 -7.380 1.00 0.00 H new ATOM 0 HA GLU A 39 12.267 6.610 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.624 7.630 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.947 6.495 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.514 8.160 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.193 9.295 -6.280 1.00 0.00 H new ATOM 462 N HIS A 40 9.304 5.517 -6.656 1.00 0.00 N ATOM 463 CA HIS A 40 8.538 4.311 -6.361 1.00 0.00 C ATOM 464 C HIS A 40 7.439 4.092 -7.394 1.00 0.00 C ATOM 465 O HIS A 40 6.959 2.973 -7.573 1.00 0.00 O ATOM 466 CB HIS A 40 7.930 4.386 -4.958 1.00 0.00 C ATOM 467 CG HIS A 40 8.950 4.400 -3.861 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.614 5.546 -3.477 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.419 3.408 -3.068 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.448 5.258 -2.493 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.349 3.969 -2.227 1.00 0.00 N ATOM 0 H HIS A 40 8.793 6.387 -6.510 1.00 0.00 H new ATOM 0 HA HIS A 40 9.224 3.465 -6.403 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.317 5.285 -4.884 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.265 3.534 -4.813 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.119 2.371 -3.092 1.00 0.00 H new ATOM 0 HE1 HIS A 40 11.100 5.958 -1.992 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.878 3.470 -1.512 1.00 0.00 H new ATOM 479 N GLY A 41 7.046 5.165 -8.069 1.00 0.00 N ATOM 480 CA GLY A 41 6.079 5.075 -9.157 1.00 0.00 C ATOM 481 C GLY A 41 4.650 5.106 -8.630 1.00 0.00 C ATOM 482 O GLY A 41 3.747 4.512 -9.219 1.00 0.00 O ATOM 0 H GLY A 41 7.382 6.110 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.231 5.902 -9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.243 4.154 -9.717 1.00 0.00 H new ATOM 486 N LEU A 42 4.452 5.804 -7.517 1.00 0.00 N ATOM 487 CA LEU A 42 3.130 5.922 -6.912 1.00 0.00 C ATOM 488 C LEU A 42 2.248 6.882 -7.699 1.00 0.00 C ATOM 489 O LEU A 42 2.714 7.916 -8.179 1.00 0.00 O ATOM 490 CB LEU A 42 3.254 6.383 -5.455 1.00 0.00 C ATOM 491 CG LEU A 42 3.969 5.401 -4.518 1.00 0.00 C ATOM 492 CD1 LEU A 42 4.060 5.989 -3.116 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.222 4.077 -4.500 1.00 0.00 C ATOM 0 H LEU A 42 5.191 6.297 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 42 2.659 4.939 -6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.788 7.333 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.254 6.571 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 42 4.982 5.226 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.569 5.284 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.620 6.924 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.057 6.180 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.732 3.381 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.204 4.239 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.194 3.661 -5.507 1.00 0.00 H new ATOM 505 N GLY A 43 0.972 6.536 -7.828 1.00 0.00 N ATOM 506 CA GLY A 43 0.017 7.378 -8.539 1.00 0.00 C ATOM 507 C GLY A 43 -0.465 8.526 -7.662 1.00 0.00 C ATOM 508 O GLY A 43 -0.310 8.494 -6.441 1.00 0.00 O ATOM 0 H GLY A 43 0.574 5.677 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.481 7.776 -9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.835 6.777 -8.857 1.00 0.00 H new ATOM 512 N LYS A 44 -1.052 9.538 -8.290 1.00 0.00 N ATOM 513 CA LYS A 44 -1.485 10.735 -7.578 1.00 0.00 C ATOM 514 C LYS A 44 -2.589 10.412 -6.580 1.00 0.00 C ATOM 515 O LYS A 44 -2.534 10.828 -5.422 1.00 0.00 O ATOM 516 CB LYS A 44 -1.962 11.802 -8.565 1.00 0.00 C ATOM 517 CG LYS A 44 -2.339 13.130 -7.921 1.00 0.00 C ATOM 518 CD LYS A 44 -2.665 14.180 -8.972 1.00 0.00 C ATOM 519 CE LYS A 44 -3.057 15.503 -8.330 1.00 0.00 C ATOM 520 NZ LYS A 44 -3.390 16.539 -9.346 1.00 0.00 N ATOM 0 H LYS A 44 -1.239 9.554 -9.293 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.629 11.123 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.176 11.978 -9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.825 11.417 -9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.199 12.988 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.517 13.480 -7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.801 14.330 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.479 13.825 -9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.915 15.348 -7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.239 15.859 -7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.651 17.424 -8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.564 16.706 -9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.188 16.211 -9.927 1.00 0.00 H new ATOM 534 N ALA A 45 -3.593 9.671 -7.035 1.00 0.00 N ATOM 535 CA ALA A 45 -4.690 9.253 -6.171 1.00 0.00 C ATOM 536 C ALA A 45 -4.196 8.342 -5.054 1.00 0.00 C ATOM 537 O ALA A 45 -4.678 8.414 -3.923 1.00 0.00 O ATOM 538 CB ALA A 45 -5.772 8.559 -6.985 1.00 0.00 C ATOM 0 H ALA A 45 -3.670 9.347 -7.999 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.115 10.145 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.584 8.253 -6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.157 9.246 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.352 7.680 -7.475 1.00 0.00 H new ATOM 544 N ALA A 46 -3.232 7.487 -5.377 1.00 0.00 N ATOM 545 CA ALA A 46 -2.666 6.565 -4.400 1.00 0.00 C ATOM 546 C ALA A 46 -1.952 7.316 -3.283 1.00 0.00 C ATOM 547 O ALA A 46 -2.092 6.980 -2.107 1.00 0.00 O ATOM 548 CB ALA A 46 -1.716 5.590 -5.080 1.00 0.00 C ATOM 0 H ALA A 46 -2.826 7.413 -6.310 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.485 6.001 -3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.301 4.908 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.258 5.019 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.907 6.143 -5.556 1.00 0.00 H new ATOM 554 N VAL A 47 -1.187 8.335 -3.658 1.00 0.00 N ATOM 555 CA VAL A 47 -0.440 9.130 -2.690 1.00 0.00 C ATOM 556 C VAL A 47 -1.379 9.933 -1.797 1.00 0.00 C ATOM 557 O VAL A 47 -1.224 9.952 -0.576 1.00 0.00 O ATOM 558 CB VAL A 47 0.540 10.093 -3.385 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.104 11.092 -2.385 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.666 9.317 -4.052 1.00 0.00 C ATOM 0 H VAL A 47 -1.068 8.630 -4.627 1.00 0.00 H new ATOM 0 HA VAL A 47 0.128 8.429 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.004 10.642 -4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.795 11.765 -2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.289 11.670 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.633 10.558 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.349 10.013 -4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.207 8.743 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.249 8.638 -4.796 1.00 0.00 H new ATOM 570 N VAL A 48 -2.351 10.596 -2.414 1.00 0.00 N ATOM 571 CA VAL A 48 -3.280 11.450 -1.683 1.00 0.00 C ATOM 572 C VAL A 48 -4.141 10.634 -0.727 1.00 0.00 C ATOM 573 O VAL A 48 -4.374 11.038 0.413 1.00 0.00 O ATOM 574 CB VAL A 48 -4.195 12.238 -2.638 1.00 0.00 C ATOM 575 CG1 VAL A 48 -5.298 12.940 -1.861 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.386 13.246 -3.440 1.00 0.00 C ATOM 0 H VAL A 48 -2.516 10.558 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.676 12.155 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.656 11.535 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.935 13.492 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.896 12.200 -1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.855 13.632 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.049 13.794 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.898 13.945 -2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.630 12.723 -4.026 1.00 0.00 H new ATOM 586 N LYS A 49 -4.614 9.486 -1.199 1.00 0.00 N ATOM 587 CA LYS A 49 -5.406 8.585 -0.370 1.00 0.00 C ATOM 588 C LYS A 49 -4.560 7.969 0.738 1.00 0.00 C ATOM 589 O LYS A 49 -5.047 7.732 1.843 1.00 0.00 O ATOM 590 CB LYS A 49 -6.035 7.484 -1.225 1.00 0.00 C ATOM 591 CG LYS A 49 -7.165 7.958 -2.130 1.00 0.00 C ATOM 592 CD LYS A 49 -7.717 6.817 -2.971 1.00 0.00 C ATOM 593 CE LYS A 49 -8.831 7.295 -3.891 1.00 0.00 C ATOM 594 NZ LYS A 49 -9.388 6.186 -4.712 1.00 0.00 N ATOM 0 H LYS A 49 -4.462 9.157 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.200 9.170 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.258 7.031 -1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.416 6.703 -0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.964 8.385 -1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.802 8.751 -2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.915 6.380 -3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.095 6.031 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.627 7.741 -3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.449 8.076 -4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.144 6.553 -5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.634 5.777 -5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.776 5.452 -4.086 1.00 0.00 H new ATOM 608 N ALA A 50 -3.293 7.711 0.433 1.00 0.00 N ATOM 609 CA ALA A 50 -2.360 7.184 1.422 1.00 0.00 C ATOM 610 C ALA A 50 -2.039 8.226 2.486 1.00 0.00 C ATOM 611 O ALA A 50 -1.835 7.894 3.653 1.00 0.00 O ATOM 612 CB ALA A 50 -1.085 6.704 0.744 1.00 0.00 C ATOM 0 H ALA A 50 -2.888 7.858 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.835 6.336 1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.398 6.313 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.327 5.917 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.615 7.537 0.221 1.00 0.00 H new ATOM 618 N LEU A 51 -1.995 9.490 2.076 1.00 0.00 N ATOM 619 CA LEU A 51 -1.795 10.592 3.009 1.00 0.00 C ATOM 620 C LEU A 51 -2.961 10.709 3.982 1.00 0.00 C ATOM 621 O LEU A 51 -2.765 10.938 5.175 1.00 0.00 O ATOM 622 CB LEU A 51 -1.604 11.906 2.242 1.00 0.00 C ATOM 623 CG LEU A 51 -0.261 12.050 1.516 1.00 0.00 C ATOM 624 CD1 LEU A 51 -0.291 13.265 0.598 1.00 0.00 C ATOM 625 CD2 LEU A 51 0.860 12.173 2.537 1.00 0.00 C ATOM 0 H LEU A 51 -2.095 9.776 1.102 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.895 10.386 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.406 12.001 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.711 12.735 2.941 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.082 11.165 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.667 13.359 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.085 13.145 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.477 14.162 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.814 12.275 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.690 13.051 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.881 11.281 3.164 1.00 0.00 H new ATOM 637 N ASP A 52 -4.174 10.550 3.465 1.00 0.00 N ATOM 638 CA ASP A 52 -5.367 10.524 4.302 1.00 0.00 C ATOM 639 C ASP A 52 -5.372 9.304 5.215 1.00 0.00 C ATOM 640 O ASP A 52 -5.750 9.392 6.383 1.00 0.00 O ATOM 641 CB ASP A 52 -6.630 10.540 3.439 1.00 0.00 C ATOM 642 CG ASP A 52 -6.924 11.882 2.780 1.00 0.00 C ATOM 643 OD1 ASP A 52 -6.314 12.854 3.157 1.00 0.00 O ATOM 644 OD2 ASP A 52 -7.635 11.897 1.803 1.00 0.00 O ATOM 0 H ASP A 52 -4.357 10.437 2.468 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.355 11.418 4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.535 9.781 2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.482 10.258 4.058 1.00 0.00 H new ATOM 649 N GLN A 53 -4.952 8.166 4.674 1.00 0.00 N ATOM 650 CA GLN A 53 -4.855 6.938 5.453 1.00 0.00 C ATOM 651 C GLN A 53 -3.917 7.111 6.641 1.00 0.00 C ATOM 652 O GLN A 53 -4.252 6.744 7.767 1.00 0.00 O ATOM 653 CB GLN A 53 -4.367 5.782 4.575 1.00 0.00 C ATOM 654 CG GLN A 53 -4.247 4.454 5.302 1.00 0.00 C ATOM 655 CD GLN A 53 -5.589 3.934 5.781 1.00 0.00 C ATOM 656 OE1 GLN A 53 -6.618 4.140 5.133 1.00 0.00 O ATOM 657 NE2 GLN A 53 -5.586 3.260 6.926 1.00 0.00 N ATOM 0 H GLN A 53 -4.673 8.069 3.698 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.851 6.707 5.830 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.053 5.663 3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.395 6.044 4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.792 3.719 4.638 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.579 4.569 6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.711 3.113 7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.459 2.889 7.302 1.00 0.00 H new ATOM 666 N LEU A 54 -2.742 7.673 6.383 1.00 0.00 N ATOM 667 CA LEU A 54 -1.751 7.894 7.431 1.00 0.00 C ATOM 668 C LEU A 54 -2.253 8.898 8.460 1.00 0.00 C ATOM 669 O LEU A 54 -2.027 8.737 9.659 1.00 0.00 O ATOM 670 CB LEU A 54 -0.429 8.372 6.817 1.00 0.00 C ATOM 671 CG LEU A 54 0.313 7.331 5.970 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.458 7.992 5.216 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.831 6.219 6.871 1.00 0.00 C ATOM 0 H LEU A 54 -2.451 7.985 5.456 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.581 6.947 7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.630 9.245 6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.230 8.698 7.622 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.372 6.900 5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.979 7.245 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.062 8.769 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.154 8.436 5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.358 5.479 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.513 6.638 7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.007 5.742 7.379 1.00 0.00 H new ATOM 685 N ALA A 55 -2.934 9.934 7.984 1.00 0.00 N ATOM 686 CA ALA A 55 -3.446 10.982 8.860 1.00 0.00 C ATOM 687 C ALA A 55 -4.503 10.436 9.812 1.00 0.00 C ATOM 688 O ALA A 55 -4.553 10.817 10.982 1.00 0.00 O ATOM 689 CB ALA A 55 -4.012 12.130 8.037 1.00 0.00 C ATOM 0 H ALA A 55 -3.145 10.071 6.995 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.616 11.356 9.460 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.390 12.904 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.227 12.547 7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.825 11.762 7.410 1.00 0.00 H new ATOM 695 N GLN A 56 -5.345 9.543 9.305 1.00 0.00 N ATOM 696 CA GLN A 56 -6.375 8.912 10.120 1.00 0.00 C ATOM 697 C GLN A 56 -5.767 7.935 11.118 1.00 0.00 C ATOM 698 O GLN A 56 -6.258 7.791 12.238 1.00 0.00 O ATOM 699 CB GLN A 56 -7.389 8.182 9.234 1.00 0.00 C ATOM 700 CG GLN A 56 -8.306 9.105 8.448 1.00 0.00 C ATOM 701 CD GLN A 56 -9.194 8.348 7.479 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.100 7.123 7.355 1.00 0.00 O ATOM 703 NE2 GLN A 56 -10.060 9.074 6.781 1.00 0.00 N ATOM 0 H GLN A 56 -5.334 9.239 8.331 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.885 9.699 10.675 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.850 7.542 8.535 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.998 7.529 9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.928 9.671 9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.704 9.828 7.897 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -10.104 10.084 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.681 8.621 6.111 1.00 0.00 H new ATOM 712 N GLU A 57 -4.697 7.264 10.704 1.00 0.00 N ATOM 713 CA GLU A 57 -3.973 6.358 11.587 1.00 0.00 C ATOM 714 C GLU A 57 -3.211 7.126 12.660 1.00 0.00 C ATOM 715 O GLU A 57 -2.969 6.612 13.752 1.00 0.00 O ATOM 716 CB GLU A 57 -3.009 5.483 10.783 1.00 0.00 C ATOM 717 CG GLU A 57 -3.689 4.425 9.924 1.00 0.00 C ATOM 718 CD GLU A 57 -2.697 3.718 9.042 1.00 0.00 C ATOM 719 OE1 GLU A 57 -1.527 3.998 9.153 1.00 0.00 O ATOM 720 OE2 GLU A 57 -3.093 2.820 8.338 1.00 0.00 O ATOM 0 H GLU A 57 -4.312 7.331 9.762 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.705 5.718 12.080 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.406 6.124 10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.324 4.989 11.473 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.190 3.700 10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.458 4.892 9.309 1.00 0.00 H new ATOM 727 N GLY A 58 -2.834 8.360 12.342 1.00 0.00 N ATOM 728 CA GLY A 58 -2.082 9.194 13.271 1.00 0.00 C ATOM 729 C GLY A 58 -0.581 9.047 13.054 1.00 0.00 C ATOM 730 O GLY A 58 0.214 9.287 13.962 1.00 0.00 O ATOM 0 H GLY A 58 -3.037 8.805 11.447 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.370 10.237 13.142 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.333 8.919 14.295 1.00 0.00 H new ATOM 734 N LYS A 59 -0.200 8.650 11.845 1.00 0.00 N ATOM 735 CA LYS A 59 1.205 8.455 11.510 1.00 0.00 C ATOM 736 C LYS A 59 1.851 9.760 11.060 1.00 0.00 C ATOM 737 O LYS A 59 3.019 10.018 11.353 1.00 0.00 O ATOM 738 CB LYS A 59 1.354 7.392 10.421 1.00 0.00 C ATOM 739 CG LYS A 59 0.843 6.012 10.814 1.00 0.00 C ATOM 740 CD LYS A 59 1.671 5.418 11.944 1.00 0.00 C ATOM 741 CE LYS A 59 1.164 4.038 12.335 1.00 0.00 C ATOM 742 NZ LYS A 59 1.955 3.449 13.450 1.00 0.00 N ATOM 0 H LYS A 59 -0.846 8.457 11.080 1.00 0.00 H new ATOM 0 HA LYS A 59 1.717 8.114 12.410 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.820 7.724 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.407 7.312 10.150 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.200 6.082 11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.876 5.350 9.949 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.715 5.351 11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.636 6.079 12.810 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.117 4.107 12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.209 3.377 11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.577 2.509 13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.950 3.359 13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.892 4.066 14.284 1.00 0.00 H new ATOM 756 N ILE A 60 1.085 10.578 10.348 1.00 0.00 N ATOM 757 CA ILE A 60 1.580 11.859 9.858 1.00 0.00 C ATOM 758 C ILE A 60 0.638 12.995 10.235 1.00 0.00 C ATOM 759 O ILE A 60 -0.529 12.766 10.554 1.00 0.00 O ATOM 760 CB ILE A 60 1.769 11.845 8.331 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.417 11.694 7.627 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.713 10.725 7.921 1.00 0.00 C ATOM 763 CD1 ILE A 60 0.500 11.773 6.121 1.00 0.00 C ATOM 0 H ILE A 60 0.117 10.377 10.097 1.00 0.00 H new ATOM 0 HA ILE A 60 2.548 12.023 10.332 1.00 0.00 H new ATOM 0 HB ILE A 60 2.211 12.794 8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.023 10.737 7.907 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.257 12.472 7.985 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.835 10.730 6.838 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.683 10.874 8.396 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.299 9.767 8.235 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.497 11.657 5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.909 12.740 5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.147 10.978 5.750 1.00 0.00 H new ATOM 775 N LYS A 61 1.150 14.220 10.195 1.00 0.00 N ATOM 776 CA LYS A 61 0.321 15.404 10.388 1.00 0.00 C ATOM 777 C LYS A 61 0.264 16.248 9.121 1.00 0.00 C ATOM 778 O LYS A 61 1.095 16.096 8.224 1.00 0.00 O ATOM 779 CB LYS A 61 0.845 16.242 11.554 1.00 0.00 C ATOM 780 CG LYS A 61 0.726 15.568 12.915 1.00 0.00 C ATOM 781 CD LYS A 61 1.395 16.397 14.002 1.00 0.00 C ATOM 782 CE LYS A 61 1.185 15.778 15.377 1.00 0.00 C ATOM 783 NZ LYS A 61 1.984 16.470 16.426 1.00 0.00 N ATOM 0 H LYS A 61 2.137 14.419 10.030 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.690 15.068 10.621 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.892 16.482 11.371 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.301 17.186 11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.326 15.423 13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.183 14.579 12.875 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.462 16.477 13.796 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.991 17.409 13.991 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.128 15.823 15.638 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.461 14.724 15.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.813 16.018 17.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.995 16.405 16.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.703 17.470 16.473 1.00 0.00 H new ATOM 797 N GLU A 62 -0.719 17.139 9.052 1.00 0.00 N ATOM 798 CA GLU A 62 -0.928 17.959 7.865 1.00 0.00 C ATOM 799 C GLU A 62 -1.339 19.378 8.242 1.00 0.00 C ATOM 800 O GLU A 62 -2.052 19.588 9.224 1.00 0.00 O ATOM 801 CB GLU A 62 -1.988 17.330 6.958 1.00 0.00 C ATOM 802 CG GLU A 62 -3.409 17.423 7.493 1.00 0.00 C ATOM 803 CD GLU A 62 -4.390 16.774 6.556 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.440 17.167 5.415 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.008 15.812 6.947 1.00 0.00 O ATOM 0 H GLU A 62 -1.384 17.312 9.806 1.00 0.00 H new ATOM 0 HA GLU A 62 0.017 18.008 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.948 17.815 5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.739 16.280 6.803 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.464 16.943 8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.678 18.470 7.637 1.00 0.00 H new ATOM 915 N LYS A 69 -1.668 21.695 0.686 1.00 0.00 N ATOM 916 CA LYS A 69 -1.407 21.152 2.013 1.00 0.00 C ATOM 917 C LYS A 69 -0.012 20.545 2.096 1.00 0.00 C ATOM 918 O LYS A 69 0.512 20.034 1.106 1.00 0.00 O ATOM 919 CB LYS A 69 -2.459 20.104 2.380 1.00 0.00 C ATOM 920 CG LYS A 69 -3.871 20.656 2.533 1.00 0.00 C ATOM 921 CD LYS A 69 -4.853 19.562 2.923 1.00 0.00 C ATOM 922 CE LYS A 69 -6.271 20.104 3.032 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.248 19.039 3.386 1.00 0.00 N ATOM 0 HA LYS A 69 -1.463 21.975 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.466 19.330 1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.166 19.625 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.877 21.440 3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.188 21.115 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.823 18.763 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.554 19.125 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.302 20.890 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.559 20.560 2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.201 19.450 3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.238 18.301 2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.989 18.621 4.302 1.00 0.00 H new ATOM 937 N ILE A 70 0.584 20.603 3.282 1.00 0.00 N ATOM 938 CA ILE A 70 1.903 20.023 3.505 1.00 0.00 C ATOM 939 C ILE A 70 1.855 18.944 4.580 1.00 0.00 C ATOM 940 O ILE A 70 1.237 19.127 5.630 1.00 0.00 O ATOM 941 CB ILE A 70 2.929 21.095 3.914 1.00 0.00 C ATOM 942 CG1 ILE A 70 3.165 22.075 2.761 1.00 0.00 C ATOM 943 CG2 ILE A 70 4.237 20.445 4.338 1.00 0.00 C ATOM 944 CD1 ILE A 70 4.153 23.172 3.085 1.00 0.00 C ATOM 0 H ILE A 70 0.174 21.046 4.104 1.00 0.00 H new ATOM 0 HA ILE A 70 2.214 19.577 2.560 1.00 0.00 H new ATOM 0 HB ILE A 70 2.530 21.650 4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.523 21.521 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.214 22.527 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.951 21.217 4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.057 19.785 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.642 19.866 3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.267 23.826 2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.788 23.752 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.117 22.731 3.336 1.00 0.00 H new ATOM 956 N TYR A 71 2.509 17.819 4.312 1.00 0.00 N ATOM 957 CA TYR A 71 2.450 16.668 5.204 1.00 0.00 C ATOM 958 C TYR A 71 3.829 16.331 5.758 1.00 0.00 C ATOM 959 O TYR A 71 4.842 16.519 5.086 1.00 0.00 O ATOM 960 CB TYR A 71 1.868 15.455 4.475 1.00 0.00 C ATOM 961 CG TYR A 71 0.417 15.617 4.078 1.00 0.00 C ATOM 962 CD1 TYR A 71 0.061 16.377 2.973 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.592 15.008 4.808 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.262 16.529 2.606 1.00 0.00 C ATOM 965 CE2 TYR A 71 -1.919 15.152 4.451 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.250 15.913 3.348 1.00 0.00 C ATOM 967 OH TYR A 71 -3.570 16.059 2.987 1.00 0.00 O ATOM 0 H TYR A 71 3.087 17.680 3.483 1.00 0.00 H new ATOM 0 HA TYR A 71 1.799 16.926 6.039 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.460 15.263 3.580 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.964 14.578 5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.832 16.858 2.390 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.336 14.411 5.671 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.522 17.126 1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.693 14.672 5.032 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.069 16.464 3.727 1.00 0.00 H new ATOM 977 N PHE A 72 3.860 15.834 6.990 1.00 0.00 N ATOM 978 CA PHE A 72 5.106 15.403 7.612 1.00 0.00 C ATOM 979 C PHE A 72 4.855 14.332 8.666 1.00 0.00 C ATOM 980 O PHE A 72 3.790 14.293 9.283 1.00 0.00 O ATOM 981 CB PHE A 72 5.833 16.595 8.236 1.00 0.00 C ATOM 982 CG PHE A 72 5.049 17.286 9.315 1.00 0.00 C ATOM 983 CD1 PHE A 72 4.145 18.290 9.003 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.213 16.931 10.646 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.424 18.926 9.994 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.492 17.566 11.640 1.00 0.00 C ATOM 987 CZ PHE A 72 3.598 18.563 11.315 1.00 0.00 C ATOM 0 H PHE A 72 3.035 15.720 7.578 1.00 0.00 H new ATOM 0 HA PHE A 72 5.735 14.973 6.833 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.781 16.254 8.651 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.069 17.316 7.453 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.003 18.578 7.972 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.911 16.150 10.908 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.724 19.707 9.736 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.630 17.280 12.672 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.035 19.059 12.091 1.00 0.00 H new ATOM 997 N ALA A 73 5.841 13.465 8.867 1.00 0.00 N ATOM 998 CA ALA A 73 5.705 12.356 9.803 1.00 0.00 C ATOM 999 C ALA A 73 5.789 12.837 11.246 1.00 0.00 C ATOM 1000 O ALA A 73 6.540 13.761 11.559 1.00 0.00 O ATOM 1001 CB ALA A 73 6.768 11.300 9.531 1.00 0.00 C ATOM 0 H ALA A 73 6.744 13.509 8.394 1.00 0.00 H new ATOM 0 HA ALA A 73 4.721 11.911 9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.654 10.478 10.238 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.655 10.923 8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.758 11.742 9.646 1.00 0.00 H new