USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 623 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 46 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 50 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Set 2.1: A 18 ASN : amide:sc= -0.0161 K(o=0.32,f=-5!) USER MOD Set 2.2: A 20 LYS NZ :NH3+ 147:sc= 0.34 (180deg=-0.0463) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 16 HIS : no HD1:sc= -0.0794 K(o=-0.079,f=-0.61) USER MOD Single : A 24 GLN : amide:sc=-0.00651 X(o=-0.0065,f=-0.0048) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0.39) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 37 THR OG1 : rot 100:sc= -1.19 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 171:sc= -2.81! (180deg=-3.14!) USER MOD Single : A 44 LYS NZ :NH3+ 175:sc=0.000461 (180deg=0) USER MOD Single : A 47 SER OG : rot 140:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -127:sc= -0.134 (180deg=-0.435) USER MOD Single : A 56 GLN : amide:sc= 0.071 X(o=0.071,f=-0.017) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.004) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.27 USER MOD Single : A 74 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.8!) USER MOD Single : A 77 MET CE :methyl 156:sc= -6.04! (180deg=-7.38!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.72) USER MOD Single : A 88 GLN : amide:sc= -0.0288 X(o=-0.029,f=-0.45) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -20.695 -5.492 4.166 1.00 0.00 N ATOM 2 CA ASN A 14 -19.271 -5.860 3.935 1.00 0.00 C ATOM 3 C ASN A 14 -18.758 -5.264 2.625 1.00 0.00 C ATOM 4 O ASN A 14 -18.711 -5.943 1.598 1.00 0.00 O ATOM 5 CB ASN A 14 -19.154 -7.391 3.911 1.00 0.00 C ATOM 6 CG ASN A 14 -17.753 -7.880 4.241 1.00 0.00 C ATOM 7 OD1 ASN A 14 -16.788 -7.114 4.204 1.00 0.00 O ATOM 8 ND2 ASN A 14 -17.633 -9.163 4.568 1.00 0.00 N ATOM 0 HA ASN A 14 -18.659 -5.456 4.742 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -19.860 -7.816 4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -19.439 -7.757 2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.717 -9.547 4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -18.457 -9.764 4.587 1.00 0.00 H new ATOM 17 N ASP A 15 -18.384 -3.987 2.668 1.00 0.00 N ATOM 18 CA ASP A 15 -17.885 -3.290 1.486 1.00 0.00 C ATOM 19 C ASP A 15 -16.482 -2.735 1.730 1.00 0.00 C ATOM 20 O ASP A 15 -16.323 -1.607 2.202 1.00 0.00 O ATOM 21 CB ASP A 15 -18.844 -2.158 1.106 1.00 0.00 C ATOM 22 CG ASP A 15 -20.136 -2.671 0.496 1.00 0.00 C ATOM 23 OD1 ASP A 15 -20.949 -3.265 1.238 1.00 0.00 O ATOM 24 OD2 ASP A 15 -20.334 -2.480 -0.721 1.00 0.00 O ATOM 0 H ASP A 15 -18.417 -3.413 3.511 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.828 -4.003 0.663 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.074 -1.568 1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.352 -1.491 0.398 1.00 0.00 H new ATOM 29 N HIS A 16 -15.465 -3.537 1.409 1.00 0.00 N ATOM 30 CA HIS A 16 -14.073 -3.128 1.594 1.00 0.00 C ATOM 31 C HIS A 16 -13.175 -3.724 0.512 1.00 0.00 C ATOM 32 O HIS A 16 -13.523 -4.726 -0.116 1.00 0.00 O ATOM 33 CB HIS A 16 -13.570 -3.559 2.977 1.00 0.00 C ATOM 34 CG HIS A 16 -13.701 -2.500 4.029 1.00 0.00 C ATOM 35 ND1 HIS A 16 -14.901 -2.178 4.628 1.00 0.00 N ATOM 36 CD2 HIS A 16 -12.773 -1.692 4.594 1.00 0.00 C ATOM 37 CE1 HIS A 16 -14.705 -1.221 5.516 1.00 0.00 C ATOM 38 NE2 HIS A 16 -13.423 -0.908 5.515 1.00 0.00 N ATOM 0 H HIS A 16 -15.580 -4.473 1.020 1.00 0.00 H new ATOM 0 HA HIS A 16 -14.032 -2.041 1.518 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.123 -4.443 3.295 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.523 -3.850 2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.718 -1.669 4.363 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.465 -0.771 6.138 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.986 -0.199 6.103 1.00 0.00 H new ATOM 47 N ILE A 17 -12.011 -3.105 0.306 1.00 0.00 N ATOM 48 CA ILE A 17 -11.056 -3.580 -0.695 1.00 0.00 C ATOM 49 C ILE A 17 -9.928 -4.372 -0.035 1.00 0.00 C ATOM 50 O ILE A 17 -9.260 -3.879 0.875 1.00 0.00 O ATOM 51 CB ILE A 17 -10.456 -2.414 -1.519 1.00 0.00 C ATOM 52 CG1 ILE A 17 -9.672 -1.452 -0.617 1.00 0.00 C ATOM 53 CG2 ILE A 17 -11.558 -1.672 -2.264 1.00 0.00 C ATOM 54 CD1 ILE A 17 -9.206 -0.196 -1.324 1.00 0.00 C ATOM 0 H ILE A 17 -11.708 -2.276 0.818 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.606 -4.231 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.762 -2.832 -2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.298 -1.170 0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.805 -1.973 -0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.122 -0.855 -2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.067 -2.360 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.274 -1.270 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.660 0.435 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.553 -0.467 -2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.070 0.349 -1.705 1.00 0.00 H new ATOM 66 N ASN A 18 -9.727 -5.606 -0.494 1.00 0.00 N ATOM 67 CA ASN A 18 -8.684 -6.471 0.057 1.00 0.00 C ATOM 68 C ASN A 18 -7.370 -6.302 -0.704 1.00 0.00 C ATOM 69 O ASN A 18 -7.263 -6.692 -1.868 1.00 0.00 O ATOM 70 CB ASN A 18 -9.130 -7.934 0.009 1.00 0.00 C ATOM 71 CG ASN A 18 -8.575 -8.744 1.165 1.00 0.00 C ATOM 72 OD1 ASN A 18 -7.391 -9.082 1.189 1.00 0.00 O ATOM 73 ND2 ASN A 18 -9.429 -9.060 2.133 1.00 0.00 N ATOM 0 H ASN A 18 -10.272 -6.029 -1.245 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.519 -6.180 1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.219 -7.980 0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.807 -8.379 -0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.112 -9.603 2.936 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.402 -8.759 2.073 1.00 0.00 H new ATOM 80 N LEU A 19 -6.374 -5.717 -0.042 1.00 0.00 N ATOM 81 CA LEU A 19 -5.071 -5.496 -0.660 1.00 0.00 C ATOM 82 C LEU A 19 -4.003 -6.406 -0.054 1.00 0.00 C ATOM 83 O LEU A 19 -3.796 -6.412 1.160 1.00 0.00 O ATOM 84 CB LEU A 19 -4.651 -4.031 -0.503 1.00 0.00 C ATOM 85 CG LEU A 19 -4.441 -3.269 -1.813 1.00 0.00 C ATOM 86 CD1 LEU A 19 -4.128 -1.807 -1.532 1.00 0.00 C ATOM 87 CD2 LEU A 19 -3.327 -3.908 -2.629 1.00 0.00 C ATOM 0 H LEU A 19 -6.445 -5.388 0.921 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.163 -5.736 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.411 -3.513 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.726 -3.995 0.072 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.362 -3.318 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.981 -1.279 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.958 -1.355 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.220 -1.738 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.192 -3.353 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.400 -3.889 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.591 -4.940 -2.859 1.00 0.00 H new ATOM 99 N LYS A 20 -3.321 -7.161 -0.914 1.00 0.00 N ATOM 100 CA LYS A 20 -2.263 -8.069 -0.480 1.00 0.00 C ATOM 101 C LYS A 20 -0.897 -7.398 -0.617 1.00 0.00 C ATOM 102 O LYS A 20 -0.374 -7.257 -1.724 1.00 0.00 O ATOM 103 CB LYS A 20 -2.294 -9.360 -1.308 1.00 0.00 C ATOM 104 CG LYS A 20 -3.330 -10.369 -0.835 1.00 0.00 C ATOM 105 CD LYS A 20 -4.154 -10.911 -1.996 1.00 0.00 C ATOM 106 CE LYS A 20 -5.447 -11.553 -1.513 1.00 0.00 C ATOM 107 NZ LYS A 20 -6.456 -10.538 -1.100 1.00 0.00 N ATOM 0 H LYS A 20 -3.484 -7.161 -1.921 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.432 -8.317 0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.495 -9.108 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.308 -9.824 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.830 -11.193 -0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.991 -9.899 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.385 -10.101 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.567 -11.645 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.862 -12.174 -2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.232 -12.213 -0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.411 -10.891 -1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.372 -10.361 -0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.291 -9.653 -1.620 1.00 0.00 H new ATOM 121 N VAL A 21 -0.325 -6.980 0.513 1.00 0.00 N ATOM 122 CA VAL A 21 0.978 -6.318 0.512 1.00 0.00 C ATOM 123 C VAL A 21 2.112 -7.333 0.637 1.00 0.00 C ATOM 124 O VAL A 21 2.191 -8.073 1.620 1.00 0.00 O ATOM 125 CB VAL A 21 1.099 -5.285 1.654 1.00 0.00 C ATOM 126 CG1 VAL A 21 2.339 -4.420 1.464 1.00 0.00 C ATOM 127 CG2 VAL A 21 -0.151 -4.420 1.739 1.00 0.00 C ATOM 0 H VAL A 21 -0.743 -7.088 1.437 1.00 0.00 H new ATOM 0 HA VAL A 21 1.060 -5.797 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 21 1.199 -5.828 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.407 -3.698 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.227 -5.052 1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.271 -3.890 0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.041 -3.701 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.289 -3.887 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.019 -5.052 1.929 1.00 0.00 H new ATOM 137 N ALA A 22 2.989 -7.357 -0.367 1.00 0.00 N ATOM 138 CA ALA A 22 4.125 -8.274 -0.379 1.00 0.00 C ATOM 139 C ALA A 22 5.445 -7.508 -0.384 1.00 0.00 C ATOM 140 O ALA A 22 5.966 -7.153 -1.444 1.00 0.00 O ATOM 141 CB ALA A 22 4.041 -9.199 -1.584 1.00 0.00 C ATOM 0 H ALA A 22 2.932 -6.749 -1.184 1.00 0.00 H new ATOM 0 HA ALA A 22 4.089 -8.876 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.894 -9.878 -1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.118 -9.776 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.051 -8.607 -2.499 1.00 0.00 H new ATOM 147 N GLY A 23 5.981 -7.259 0.808 1.00 0.00 N ATOM 148 CA GLY A 23 7.237 -6.537 0.926 1.00 0.00 C ATOM 149 C GLY A 23 8.442 -7.421 0.670 1.00 0.00 C ATOM 150 O GLY A 23 8.328 -8.648 0.652 1.00 0.00 O ATOM 0 H GLY A 23 5.567 -7.545 1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.243 -5.707 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.312 -6.106 1.924 1.00 0.00 H new ATOM 154 N GLN A 24 9.601 -6.795 0.473 1.00 0.00 N ATOM 155 CA GLN A 24 10.838 -7.532 0.215 1.00 0.00 C ATOM 156 C GLN A 24 11.505 -7.972 1.525 1.00 0.00 C ATOM 157 O GLN A 24 12.708 -7.782 1.714 1.00 0.00 O ATOM 158 CB GLN A 24 11.802 -6.670 -0.612 1.00 0.00 C ATOM 159 CG GLN A 24 12.615 -7.461 -1.628 1.00 0.00 C ATOM 160 CD GLN A 24 12.966 -6.649 -2.864 1.00 0.00 C ATOM 161 OE1 GLN A 24 12.758 -7.097 -3.992 1.00 0.00 O ATOM 162 NE2 GLN A 24 13.503 -5.449 -2.661 1.00 0.00 N ATOM 0 H GLN A 24 9.710 -5.781 0.487 1.00 0.00 H new ATOM 0 HA GLN A 24 10.588 -8.429 -0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.231 -5.903 -1.135 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.484 -6.154 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.533 -7.812 -1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.052 -8.345 -1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.659 -5.114 -1.710 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.759 -4.864 -3.456 1.00 0.00 H new ATOM 171 N ASP A 25 10.715 -8.564 2.424 1.00 0.00 N ATOM 172 CA ASP A 25 11.227 -9.033 3.713 1.00 0.00 C ATOM 173 C ASP A 25 10.458 -10.267 4.195 1.00 0.00 C ATOM 174 O ASP A 25 10.274 -10.463 5.399 1.00 0.00 O ATOM 175 CB ASP A 25 11.129 -7.915 4.761 1.00 0.00 C ATOM 176 CG ASP A 25 12.078 -6.763 4.486 1.00 0.00 C ATOM 177 OD1 ASP A 25 13.282 -6.902 4.786 1.00 0.00 O ATOM 178 OD2 ASP A 25 11.616 -5.720 3.976 1.00 0.00 O ATOM 0 H ASP A 25 9.719 -8.730 2.283 1.00 0.00 H new ATOM 0 HA ASP A 25 12.273 -9.310 3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.107 -7.538 4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.343 -8.328 5.747 1.00 0.00 H new ATOM 183 N GLY A 26 10.004 -11.095 3.250 1.00 0.00 N ATOM 184 CA GLY A 26 9.253 -12.291 3.601 1.00 0.00 C ATOM 185 C GLY A 26 7.988 -11.976 4.387 1.00 0.00 C ATOM 186 O GLY A 26 7.554 -12.775 5.219 1.00 0.00 O ATOM 0 H GLY A 26 10.144 -10.957 2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.987 -12.829 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.887 -12.954 4.190 1.00 0.00 H new ATOM 190 N SER A 27 7.400 -10.805 4.127 1.00 0.00 N ATOM 191 CA SER A 27 6.185 -10.380 4.819 1.00 0.00 C ATOM 192 C SER A 27 5.006 -10.289 3.851 1.00 0.00 C ATOM 193 O SER A 27 5.138 -9.757 2.746 1.00 0.00 O ATOM 194 CB SER A 27 6.407 -9.027 5.500 1.00 0.00 C ATOM 195 OG SER A 27 5.688 -8.944 6.719 1.00 0.00 O ATOM 0 H SER A 27 7.748 -10.135 3.441 1.00 0.00 H new ATOM 0 HA SER A 27 5.950 -11.127 5.577 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.470 -8.883 5.691 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.091 -8.225 4.833 1.00 0.00 H new ATOM 0 HG SER A 27 5.848 -8.071 7.135 1.00 0.00 H new ATOM 201 N VAL A 28 3.854 -10.811 4.279 1.00 0.00 N ATOM 202 CA VAL A 28 2.643 -10.794 3.459 1.00 0.00 C ATOM 203 C VAL A 28 1.395 -10.593 4.320 1.00 0.00 C ATOM 204 O VAL A 28 0.936 -11.518 4.994 1.00 0.00 O ATOM 205 CB VAL A 28 2.491 -12.095 2.636 1.00 0.00 C ATOM 206 CG1 VAL A 28 3.540 -12.159 1.535 1.00 0.00 C ATOM 207 CG2 VAL A 28 2.578 -13.323 3.536 1.00 0.00 C ATOM 0 H VAL A 28 3.736 -11.251 5.191 1.00 0.00 H new ATOM 0 HA VAL A 28 2.743 -9.955 2.771 1.00 0.00 H new ATOM 0 HB VAL A 28 1.505 -12.088 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.416 -13.081 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.421 -11.304 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.535 -12.137 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.468 -14.224 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.545 -13.338 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.783 -13.285 4.281 1.00 0.00 H new ATOM 217 N VAL A 29 0.853 -9.376 4.295 1.00 0.00 N ATOM 218 CA VAL A 29 -0.341 -9.048 5.073 1.00 0.00 C ATOM 219 C VAL A 29 -1.441 -8.475 4.181 1.00 0.00 C ATOM 220 O VAL A 29 -1.167 -7.703 3.260 1.00 0.00 O ATOM 221 CB VAL A 29 -0.030 -8.030 6.192 1.00 0.00 C ATOM 222 CG1 VAL A 29 -1.225 -7.881 7.124 1.00 0.00 C ATOM 223 CG2 VAL A 29 1.214 -8.437 6.970 1.00 0.00 C ATOM 0 H VAL A 29 1.222 -8.601 3.744 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.684 -9.980 5.523 1.00 0.00 H new ATOM 0 HB VAL A 29 0.167 -7.064 5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.988 -7.160 7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.087 -7.531 6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.456 -8.845 7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.411 -7.703 7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.056 -9.416 7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.067 -8.484 6.293 1.00 0.00 H new ATOM 233 N GLN A 30 -2.690 -8.851 4.467 1.00 0.00 N ATOM 234 CA GLN A 30 -3.834 -8.367 3.694 1.00 0.00 C ATOM 235 C GLN A 30 -4.600 -7.290 4.466 1.00 0.00 C ATOM 236 O GLN A 30 -5.362 -7.590 5.385 1.00 0.00 O ATOM 237 CB GLN A 30 -4.774 -9.525 3.328 1.00 0.00 C ATOM 238 CG GLN A 30 -5.284 -10.314 4.526 1.00 0.00 C ATOM 239 CD GLN A 30 -6.798 -10.416 4.554 1.00 0.00 C ATOM 240 OE1 GLN A 30 -7.478 -9.569 5.134 1.00 0.00 O ATOM 241 NE2 GLN A 30 -7.336 -11.457 3.928 1.00 0.00 N ATOM 0 H GLN A 30 -2.933 -9.487 5.226 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.451 -7.926 2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.627 -9.127 2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.251 -10.204 2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.856 -11.316 4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.938 -9.838 5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.736 -12.136 3.459 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.349 -11.577 3.916 1.00 0.00 H new ATOM 250 N PHE A 31 -4.391 -6.033 4.081 1.00 0.00 N ATOM 251 CA PHE A 31 -5.060 -4.908 4.730 1.00 0.00 C ATOM 252 C PHE A 31 -6.237 -4.419 3.889 1.00 0.00 C ATOM 253 O PHE A 31 -6.169 -4.411 2.658 1.00 0.00 O ATOM 254 CB PHE A 31 -4.070 -3.762 4.957 1.00 0.00 C ATOM 255 CG PHE A 31 -3.181 -3.959 6.154 1.00 0.00 C ATOM 256 CD1 PHE A 31 -3.625 -3.633 7.426 1.00 0.00 C ATOM 257 CD2 PHE A 31 -1.901 -4.470 6.006 1.00 0.00 C ATOM 258 CE1 PHE A 31 -2.809 -3.812 8.528 1.00 0.00 C ATOM 259 CE2 PHE A 31 -1.082 -4.651 7.104 1.00 0.00 C ATOM 260 CZ PHE A 31 -1.535 -4.322 8.366 1.00 0.00 C ATOM 0 H PHE A 31 -3.763 -5.768 3.322 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.440 -5.248 5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.449 -3.649 4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.626 -2.832 5.077 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.620 -3.234 7.558 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.540 -4.729 5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.167 -3.554 9.514 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.087 -5.050 6.975 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.895 -4.463 9.225 1.00 0.00 H new ATOM 270 N LYS A 32 -7.316 -4.011 4.557 1.00 0.00 N ATOM 271 CA LYS A 32 -8.505 -3.522 3.862 1.00 0.00 C ATOM 272 C LYS A 32 -8.823 -2.080 4.255 1.00 0.00 C ATOM 273 O LYS A 32 -8.772 -1.720 5.433 1.00 0.00 O ATOM 274 CB LYS A 32 -9.712 -4.422 4.152 1.00 0.00 C ATOM 275 CG LYS A 32 -10.022 -4.580 5.634 1.00 0.00 C ATOM 276 CD LYS A 32 -11.427 -5.118 5.860 1.00 0.00 C ATOM 277 CE LYS A 32 -11.593 -6.514 5.276 1.00 0.00 C ATOM 278 NZ LYS A 32 -12.759 -7.232 5.864 1.00 0.00 N ATOM 0 H LYS A 32 -7.391 -4.010 5.574 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.294 -3.548 2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.588 -4.012 3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.530 -5.407 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.296 -5.255 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.916 -3.617 6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.640 -5.142 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.153 -4.444 5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.719 -6.442 4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.685 -7.091 5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.835 -8.178 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.628 -7.324 6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.629 -6.696 5.673 1.00 0.00 H new ATOM 292 N ILE A 33 -9.153 -1.263 3.254 1.00 0.00 N ATOM 293 CA ILE A 33 -9.486 0.144 3.478 1.00 0.00 C ATOM 294 C ILE A 33 -10.732 0.546 2.686 1.00 0.00 C ATOM 295 O ILE A 33 -11.312 -0.270 1.967 1.00 0.00 O ATOM 296 CB ILE A 33 -8.315 1.076 3.085 1.00 0.00 C ATOM 297 CG1 ILE A 33 -7.828 0.765 1.666 1.00 0.00 C ATOM 298 CG2 ILE A 33 -7.174 0.950 4.086 1.00 0.00 C ATOM 299 CD1 ILE A 33 -7.464 1.997 0.864 1.00 0.00 C ATOM 0 H ILE A 33 -9.197 -1.553 2.277 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.682 0.255 4.544 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.674 2.105 3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.958 0.111 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.606 0.214 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.359 1.612 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.529 1.227 5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.817 -0.080 4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.128 1.699 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.337 2.643 0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.664 2.537 1.370 1.00 0.00 H new ATOM 311 N LYS A 34 -11.137 1.811 2.821 1.00 0.00 N ATOM 312 CA LYS A 34 -12.311 2.321 2.115 1.00 0.00 C ATOM 313 C LYS A 34 -11.969 2.658 0.662 1.00 0.00 C ATOM 314 O LYS A 34 -10.802 2.865 0.323 1.00 0.00 O ATOM 315 CB LYS A 34 -12.870 3.563 2.826 1.00 0.00 C ATOM 316 CG LYS A 34 -11.991 4.802 2.702 1.00 0.00 C ATOM 317 CD LYS A 34 -11.258 5.104 4.001 1.00 0.00 C ATOM 318 CE LYS A 34 -12.002 6.136 4.838 1.00 0.00 C ATOM 319 NZ LYS A 34 -12.878 5.503 5.867 1.00 0.00 N ATOM 0 H LYS A 34 -10.669 2.498 3.412 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.072 1.541 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.856 3.788 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.007 3.332 3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.267 4.656 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.606 5.658 2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.141 4.185 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.256 5.470 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.282 6.790 5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.608 6.763 4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.364 6.243 6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.583 4.899 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.298 4.925 6.508 1.00 0.00 H new ATOM 333 N ARG A 35 -12.993 2.722 -0.189 1.00 0.00 N ATOM 334 CA ARG A 35 -12.795 3.043 -1.602 1.00 0.00 C ATOM 335 C ARG A 35 -12.993 4.541 -1.856 1.00 0.00 C ATOM 336 O ARG A 35 -13.635 4.942 -2.831 1.00 0.00 O ATOM 337 CB ARG A 35 -13.752 2.219 -2.473 1.00 0.00 C ATOM 338 CG ARG A 35 -13.055 1.477 -3.603 1.00 0.00 C ATOM 339 CD ARG A 35 -13.060 2.285 -4.893 1.00 0.00 C ATOM 340 NE ARG A 35 -14.414 2.488 -5.410 1.00 0.00 N ATOM 341 CZ ARG A 35 -15.141 1.534 -6.001 1.00 0.00 C ATOM 342 NH1 ARG A 35 -14.641 0.312 -6.170 1.00 0.00 N ATOM 343 NH2 ARG A 35 -16.371 1.806 -6.428 1.00 0.00 N ATOM 0 H ARG A 35 -13.964 2.556 0.074 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.770 2.788 -1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -14.275 1.499 -1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -14.508 2.881 -2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.027 1.258 -3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.550 0.521 -3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.591 3.253 -4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.459 1.772 -5.644 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.829 3.415 -5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.697 0.098 -5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.202 -0.410 -6.622 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.759 2.741 -6.304 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.927 1.079 -6.879 1.00 0.00 H new ATOM 357 N HIS A 36 -12.434 5.365 -0.968 1.00 0.00 N ATOM 358 CA HIS A 36 -12.541 6.818 -1.082 1.00 0.00 C ATOM 359 C HIS A 36 -11.327 7.508 -0.452 1.00 0.00 C ATOM 360 O HIS A 36 -11.449 8.583 0.140 1.00 0.00 O ATOM 361 CB HIS A 36 -13.831 7.302 -0.408 1.00 0.00 C ATOM 362 CG HIS A 36 -14.556 8.365 -1.176 1.00 0.00 C ATOM 363 ND1 HIS A 36 -13.922 9.446 -1.753 1.00 0.00 N ATOM 364 CD2 HIS A 36 -15.875 8.513 -1.456 1.00 0.00 C ATOM 365 CE1 HIS A 36 -14.817 10.211 -2.353 1.00 0.00 C ATOM 366 NE2 HIS A 36 -16.008 9.666 -2.189 1.00 0.00 N ATOM 0 H HIS A 36 -11.900 5.047 -0.159 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.569 7.078 -2.140 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.497 6.451 -0.268 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.590 7.685 0.584 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -16.672 7.848 -1.158 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -14.609 11.127 -2.887 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -16.886 10.041 -2.549 1.00 0.00 H new ATOM 375 N THR A 37 -10.156 6.885 -0.582 1.00 0.00 N ATOM 376 CA THR A 37 -8.924 7.437 -0.026 1.00 0.00 C ATOM 377 C THR A 37 -7.719 7.052 -0.889 1.00 0.00 C ATOM 378 O THR A 37 -7.649 5.933 -1.402 1.00 0.00 O ATOM 379 CB THR A 37 -8.728 6.946 1.416 1.00 0.00 C ATOM 380 OG1 THR A 37 -7.586 7.543 2.003 1.00 0.00 O ATOM 381 CG2 THR A 37 -8.566 5.442 1.530 1.00 0.00 C ATOM 0 H THR A 37 -10.036 5.997 -1.068 1.00 0.00 H new ATOM 0 HA THR A 37 -9.005 8.524 -0.020 1.00 0.00 H new ATOM 0 HB THR A 37 -9.640 7.236 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.864 8.287 2.577 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.432 5.169 2.577 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.456 4.949 1.137 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.694 5.126 0.958 1.00 0.00 H new ATOM 389 N PRO A 38 -6.750 7.976 -1.060 1.00 0.00 N ATOM 390 CA PRO A 38 -5.544 7.725 -1.867 1.00 0.00 C ATOM 391 C PRO A 38 -4.654 6.637 -1.267 1.00 0.00 C ATOM 392 O PRO A 38 -4.905 6.155 -0.160 1.00 0.00 O ATOM 393 CB PRO A 38 -4.816 9.078 -1.858 1.00 0.00 C ATOM 394 CG PRO A 38 -5.323 9.775 -0.644 1.00 0.00 C ATOM 395 CD PRO A 38 -6.750 9.334 -0.486 1.00 0.00 C ATOM 0 HA PRO A 38 -5.794 7.367 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.735 8.945 -1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.032 9.649 -2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.733 9.511 0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.258 10.857 -0.758 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.056 9.329 0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.436 9.995 -1.016 1.00 0.00 H new ATOM 403 N LEU A 39 -3.609 6.256 -2.005 1.00 0.00 N ATOM 404 CA LEU A 39 -2.675 5.225 -1.544 1.00 0.00 C ATOM 405 C LEU A 39 -2.072 5.586 -0.184 1.00 0.00 C ATOM 406 O LEU A 39 -1.643 4.703 0.560 1.00 0.00 O ATOM 407 CB LEU A 39 -1.557 5.012 -2.571 1.00 0.00 C ATOM 408 CG LEU A 39 -1.826 3.913 -3.603 1.00 0.00 C ATOM 409 CD1 LEU A 39 -0.735 3.899 -4.663 1.00 0.00 C ATOM 410 CD2 LEU A 39 -1.930 2.555 -2.920 1.00 0.00 C ATOM 0 H LEU A 39 -3.388 6.644 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.238 4.298 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.385 5.950 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.636 4.772 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.776 4.124 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.942 3.112 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.709 4.863 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.229 3.712 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.121 1.785 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.996 2.335 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.748 2.572 -2.199 1.00 0.00 H new ATOM 422 N SER A 40 -2.045 6.885 0.138 1.00 0.00 N ATOM 423 CA SER A 40 -1.500 7.359 1.411 1.00 0.00 C ATOM 424 C SER A 40 -2.096 6.589 2.594 1.00 0.00 C ATOM 425 O SER A 40 -1.384 6.251 3.540 1.00 0.00 O ATOM 426 CB SER A 40 -1.771 8.858 1.576 1.00 0.00 C ATOM 427 OG SER A 40 -1.525 9.283 2.905 1.00 0.00 O ATOM 0 H SER A 40 -2.396 7.626 -0.469 1.00 0.00 H new ATOM 0 HA SER A 40 -0.424 7.185 1.399 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.140 9.422 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.805 9.074 1.308 1.00 0.00 H new ATOM 0 HG SER A 40 -1.705 10.243 2.980 1.00 0.00 H new ATOM 433 N LYS A 41 -3.401 6.315 2.535 1.00 0.00 N ATOM 434 CA LYS A 41 -4.080 5.587 3.605 1.00 0.00 C ATOM 435 C LYS A 41 -3.449 4.210 3.818 1.00 0.00 C ATOM 436 O LYS A 41 -2.972 3.903 4.911 1.00 0.00 O ATOM 437 CB LYS A 41 -5.572 5.443 3.288 1.00 0.00 C ATOM 438 CG LYS A 41 -6.472 5.623 4.501 1.00 0.00 C ATOM 439 CD LYS A 41 -6.474 7.062 4.997 1.00 0.00 C ATOM 440 CE LYS A 41 -6.561 7.130 6.515 1.00 0.00 C ATOM 441 NZ LYS A 41 -7.141 8.419 6.990 1.00 0.00 N ATOM 0 H LYS A 41 -4.006 6.586 1.760 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.969 6.159 4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.846 6.177 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.750 4.458 2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.489 5.325 4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.138 4.963 5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.567 7.565 4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.316 7.597 4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.171 6.303 6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.565 7.003 6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.181 8.420 8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.546 9.208 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.102 8.530 6.607 1.00 0.00 H new ATOM 455 N LEU A 42 -3.439 3.390 2.765 1.00 0.00 N ATOM 456 CA LEU A 42 -2.856 2.052 2.834 1.00 0.00 C ATOM 457 C LEU A 42 -1.375 2.123 3.211 1.00 0.00 C ATOM 458 O LEU A 42 -0.900 1.341 4.035 1.00 0.00 O ATOM 459 CB LEU A 42 -3.022 1.335 1.486 1.00 0.00 C ATOM 460 CG LEU A 42 -2.988 -0.198 1.535 1.00 0.00 C ATOM 461 CD1 LEU A 42 -1.576 -0.702 1.801 1.00 0.00 C ATOM 462 CD2 LEU A 42 -3.956 -0.729 2.585 1.00 0.00 C ATOM 0 H LEU A 42 -3.829 3.631 1.854 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.380 1.489 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.970 1.644 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.233 1.676 0.815 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.304 -0.572 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.578 -1.792 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.913 -0.362 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.225 -0.313 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.914 -1.818 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.679 -0.341 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.969 -0.409 2.341 1.00 0.00 H new ATOM 474 N MET A 43 -0.657 3.070 2.605 1.00 0.00 N ATOM 475 CA MET A 43 0.769 3.250 2.874 1.00 0.00 C ATOM 476 C MET A 43 1.015 3.579 4.346 1.00 0.00 C ATOM 477 O MET A 43 1.791 2.897 5.017 1.00 0.00 O ATOM 478 CB MET A 43 1.347 4.360 1.987 1.00 0.00 C ATOM 479 CG MET A 43 2.761 4.079 1.498 1.00 0.00 C ATOM 480 SD MET A 43 3.970 5.245 2.150 1.00 0.00 S ATOM 481 CE MET A 43 4.637 5.928 0.634 1.00 0.00 C ATOM 0 H MET A 43 -1.041 3.725 1.924 1.00 0.00 H new ATOM 0 HA MET A 43 1.272 2.311 2.643 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.695 4.500 1.125 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.344 5.297 2.544 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.046 3.067 1.787 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.778 4.116 0.409 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.281 6.776 0.869 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.217 5.165 0.115 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.820 6.260 -0.006 1.00 0.00 H new ATOM 491 N LYS A 44 0.351 4.623 4.843 1.00 0.00 N ATOM 492 CA LYS A 44 0.503 5.034 6.237 1.00 0.00 C ATOM 493 C LYS A 44 0.075 3.917 7.187 1.00 0.00 C ATOM 494 O LYS A 44 0.813 3.561 8.104 1.00 0.00 O ATOM 495 CB LYS A 44 -0.313 6.300 6.522 1.00 0.00 C ATOM 496 CG LYS A 44 0.509 7.579 6.486 1.00 0.00 C ATOM 497 CD LYS A 44 0.037 8.578 7.531 1.00 0.00 C ATOM 498 CE LYS A 44 1.093 9.638 7.799 1.00 0.00 C ATOM 499 NZ LYS A 44 1.180 9.992 9.244 1.00 0.00 N ATOM 0 H LYS A 44 -0.295 5.197 4.302 1.00 0.00 H new ATOM 0 HA LYS A 44 1.558 5.249 6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.118 6.375 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.781 6.207 7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.559 7.342 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.441 8.028 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.882 9.055 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.199 8.054 8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.063 9.278 7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.863 10.533 7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.968 10.654 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.291 10.439 9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.342 9.130 9.803 1.00 0.00 H new ATOM 513 N ALA A 45 -1.120 3.368 6.959 1.00 0.00 N ATOM 514 CA ALA A 45 -1.645 2.289 7.795 1.00 0.00 C ATOM 515 C ALA A 45 -0.697 1.089 7.817 1.00 0.00 C ATOM 516 O ALA A 45 -0.470 0.488 8.868 1.00 0.00 O ATOM 517 CB ALA A 45 -3.025 1.862 7.311 1.00 0.00 C ATOM 0 H ALA A 45 -1.741 3.654 6.202 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.730 2.670 8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.400 1.058 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.707 2.711 7.360 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.957 1.511 6.281 1.00 0.00 H new ATOM 523 N TYR A 46 -0.147 0.747 6.651 1.00 0.00 N ATOM 524 CA TYR A 46 0.775 -0.381 6.537 1.00 0.00 C ATOM 525 C TYR A 46 2.106 -0.078 7.227 1.00 0.00 C ATOM 526 O TYR A 46 2.564 -0.852 8.070 1.00 0.00 O ATOM 527 CB TYR A 46 1.018 -0.726 5.065 1.00 0.00 C ATOM 528 CG TYR A 46 1.817 -1.996 4.865 1.00 0.00 C ATOM 529 CD1 TYR A 46 1.223 -3.242 5.019 1.00 0.00 C ATOM 530 CD2 TYR A 46 3.164 -1.949 4.528 1.00 0.00 C ATOM 531 CE1 TYR A 46 1.947 -4.406 4.840 1.00 0.00 C ATOM 532 CE2 TYR A 46 3.895 -3.108 4.346 1.00 0.00 C ATOM 533 CZ TYR A 46 3.282 -4.334 4.504 1.00 0.00 C ATOM 534 OH TYR A 46 4.007 -5.492 4.325 1.00 0.00 O ATOM 0 H TYR A 46 -0.325 1.235 5.773 1.00 0.00 H new ATOM 0 HA TYR A 46 0.318 -1.237 7.034 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.057 -0.828 4.561 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.542 0.102 4.588 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.178 -3.303 5.283 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.648 -0.991 4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.469 -5.367 4.963 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.941 -3.054 4.081 1.00 0.00 H new ATOM 0 HH TYR A 46 4.931 -5.266 4.091 1.00 0.00 H new ATOM 544 N SER A 47 2.721 1.049 6.863 1.00 0.00 N ATOM 545 CA SER A 47 4.002 1.457 7.445 1.00 0.00 C ATOM 546 C SER A 47 3.892 1.619 8.960 1.00 0.00 C ATOM 547 O SER A 47 4.762 1.163 9.704 1.00 0.00 O ATOM 548 CB SER A 47 4.483 2.769 6.819 1.00 0.00 C ATOM 549 OG SER A 47 5.364 2.524 5.738 1.00 0.00 O ATOM 0 H SER A 47 2.352 1.697 6.167 1.00 0.00 H new ATOM 0 HA SER A 47 4.727 0.672 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.626 3.345 6.470 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.987 3.373 7.574 1.00 0.00 H new ATOM 0 HG SER A 47 5.174 3.154 5.012 1.00 0.00 H new ATOM 555 N GLU A 48 2.817 2.268 9.406 1.00 0.00 N ATOM 556 CA GLU A 48 2.582 2.491 10.831 1.00 0.00 C ATOM 557 C GLU A 48 2.484 1.162 11.581 1.00 0.00 C ATOM 558 O GLU A 48 3.086 0.994 12.642 1.00 0.00 O ATOM 559 CB GLU A 48 1.300 3.305 11.033 1.00 0.00 C ATOM 560 CG GLU A 48 1.129 3.844 12.445 1.00 0.00 C ATOM 561 CD GLU A 48 -0.229 4.485 12.663 1.00 0.00 C ATOM 562 OE1 GLU A 48 -0.539 5.474 11.964 1.00 0.00 O ATOM 563 OE2 GLU A 48 -0.982 3.998 13.532 1.00 0.00 O ATOM 0 H GLU A 48 2.093 2.650 8.798 1.00 0.00 H new ATOM 0 HA GLU A 48 3.426 3.050 11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.297 4.140 10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.442 2.680 10.787 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.262 3.031 13.159 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.910 4.577 12.647 1.00 0.00 H new ATOM 570 N ARG A 49 1.726 0.219 11.017 1.00 0.00 N ATOM 571 CA ARG A 49 1.555 -1.099 11.627 1.00 0.00 C ATOM 572 C ARG A 49 2.868 -1.885 11.619 1.00 0.00 C ATOM 573 O ARG A 49 3.148 -2.646 12.546 1.00 0.00 O ATOM 574 CB ARG A 49 0.469 -1.892 10.890 1.00 0.00 C ATOM 575 CG ARG A 49 -0.488 -2.630 11.814 1.00 0.00 C ATOM 576 CD ARG A 49 0.100 -3.949 12.292 1.00 0.00 C ATOM 577 NE ARG A 49 -0.583 -4.453 13.482 1.00 0.00 N ATOM 578 CZ ARG A 49 -0.385 -3.978 14.715 1.00 0.00 C ATOM 579 NH1 ARG A 49 0.470 -2.978 14.923 1.00 0.00 N ATOM 580 NH2 ARG A 49 -1.047 -4.503 15.742 1.00 0.00 N ATOM 0 H ARG A 49 1.222 0.345 10.139 1.00 0.00 H new ATOM 0 HA ARG A 49 1.249 -0.951 12.663 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.102 -1.209 10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.946 -2.613 10.226 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.721 -2.002 12.674 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.427 -2.817 11.292 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.030 -4.688 11.494 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.159 -3.816 12.511 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.252 -5.214 13.364 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.978 -2.570 14.138 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.616 -2.620 15.867 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.705 -5.267 15.588 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.897 -4.142 16.684 1.00 0.00 H new ATOM 594 N GLN A 50 3.667 -1.698 10.566 1.00 0.00 N ATOM 595 CA GLN A 50 4.948 -2.392 10.437 1.00 0.00 C ATOM 596 C GLN A 50 5.999 -1.792 11.371 1.00 0.00 C ATOM 597 O GLN A 50 6.327 -2.377 12.404 1.00 0.00 O ATOM 598 CB GLN A 50 5.444 -2.335 8.987 1.00 0.00 C ATOM 599 CG GLN A 50 4.903 -3.452 8.110 1.00 0.00 C ATOM 600 CD GLN A 50 5.753 -4.708 8.180 1.00 0.00 C ATOM 601 OE1 GLN A 50 6.140 -5.150 9.262 1.00 0.00 O ATOM 602 NE2 GLN A 50 6.049 -5.293 7.023 1.00 0.00 N ATOM 0 H GLN A 50 3.449 -1.072 9.791 1.00 0.00 H new ATOM 0 HA GLN A 50 4.792 -3.433 10.721 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.161 -1.376 8.553 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.533 -2.378 8.983 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.884 -3.689 8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.854 -3.107 7.077 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.708 -4.894 6.148 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.617 -6.140 7.010 1.00 0.00 H new ATOM 611 N GLY A 51 6.527 -0.625 10.998 1.00 0.00 N ATOM 612 CA GLY A 51 7.537 0.032 11.808 1.00 0.00 C ATOM 613 C GLY A 51 8.465 0.895 10.977 1.00 0.00 C ATOM 614 O GLY A 51 9.686 0.837 11.135 1.00 0.00 O ATOM 0 H GLY A 51 6.271 -0.124 10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.050 0.648 12.564 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.121 -0.720 12.338 1.00 0.00 H new ATOM 618 N LEU A 52 7.881 1.697 10.089 1.00 0.00 N ATOM 619 CA LEU A 52 8.652 2.580 9.223 1.00 0.00 C ATOM 620 C LEU A 52 8.176 4.025 9.375 1.00 0.00 C ATOM 621 O LEU A 52 7.490 4.362 10.343 1.00 0.00 O ATOM 622 CB LEU A 52 8.535 2.131 7.759 1.00 0.00 C ATOM 623 CG LEU A 52 8.647 0.621 7.525 1.00 0.00 C ATOM 624 CD1 LEU A 52 7.963 0.231 6.223 1.00 0.00 C ATOM 625 CD2 LEU A 52 10.106 0.187 7.515 1.00 0.00 C ATOM 0 H LEU A 52 6.872 1.752 9.952 1.00 0.00 H new ATOM 0 HA LEU A 52 9.699 2.526 9.520 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.577 2.472 7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.312 2.630 7.180 1.00 0.00 H new ATOM 0 HG LEU A 52 8.144 0.108 8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.052 -0.845 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.909 0.504 6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.437 0.754 5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.165 -0.888 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.635 0.708 6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.565 0.430 8.473 1.00 0.00 H new ATOM 637 N SER A 53 8.541 4.872 8.415 1.00 0.00 N ATOM 638 CA SER A 53 8.150 6.280 8.437 1.00 0.00 C ATOM 639 C SER A 53 7.246 6.616 7.254 1.00 0.00 C ATOM 640 O SER A 53 7.071 5.804 6.343 1.00 0.00 O ATOM 641 CB SER A 53 9.391 7.179 8.419 1.00 0.00 C ATOM 642 OG SER A 53 10.004 7.230 9.697 1.00 0.00 O ATOM 0 H SER A 53 9.109 4.607 7.610 1.00 0.00 H new ATOM 0 HA SER A 53 7.594 6.460 9.357 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.104 6.804 7.685 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.111 8.185 8.107 1.00 0.00 H new ATOM 0 HG SER A 53 10.794 7.809 9.658 1.00 0.00 H new ATOM 648 N MET A 54 6.678 7.822 7.274 1.00 0.00 N ATOM 649 CA MET A 54 5.792 8.273 6.202 1.00 0.00 C ATOM 650 C MET A 54 6.509 9.240 5.252 1.00 0.00 C ATOM 651 O MET A 54 5.863 10.032 4.563 1.00 0.00 O ATOM 652 CB MET A 54 4.543 8.944 6.788 1.00 0.00 C ATOM 653 CG MET A 54 4.845 10.170 7.640 1.00 0.00 C ATOM 654 SD MET A 54 3.680 11.518 7.361 1.00 0.00 S ATOM 655 CE MET A 54 4.628 12.568 6.262 1.00 0.00 C ATOM 0 H MET A 54 6.816 8.503 8.020 1.00 0.00 H new ATOM 0 HA MET A 54 5.492 7.395 5.629 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.882 9.235 5.972 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.002 8.217 7.393 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.824 9.889 8.693 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.855 10.518 7.423 1.00 0.00 H new ATOM 0 HE1 MET A 54 4.657 13.581 6.663 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.644 12.182 6.176 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.160 12.580 5.277 1.00 0.00 H new ATOM 665 N ARG A 55 7.842 9.173 5.212 1.00 0.00 N ATOM 666 CA ARG A 55 8.625 10.046 4.338 1.00 0.00 C ATOM 667 C ARG A 55 9.763 9.286 3.646 1.00 0.00 C ATOM 668 O ARG A 55 10.679 9.902 3.096 1.00 0.00 O ATOM 669 CB ARG A 55 9.189 11.227 5.137 1.00 0.00 C ATOM 670 CG ARG A 55 8.605 12.572 4.731 1.00 0.00 C ATOM 671 CD ARG A 55 9.036 12.972 3.327 1.00 0.00 C ATOM 672 NE ARG A 55 8.365 14.190 2.872 1.00 0.00 N ATOM 673 CZ ARG A 55 8.727 15.427 3.233 1.00 0.00 C ATOM 674 NH1 ARG A 55 9.750 15.617 4.063 1.00 0.00 N ATOM 675 NH2 ARG A 55 8.060 16.477 2.762 1.00 0.00 N ATOM 0 H ARG A 55 8.398 8.527 5.772 1.00 0.00 H new ATOM 0 HA ARG A 55 7.957 10.421 3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.997 11.062 6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.271 11.257 5.010 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.517 12.526 4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.923 13.336 5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 55 10.115 13.125 3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.818 12.158 2.635 1.00 0.00 H new ATOM 0 HE ARG A 55 7.571 14.090 2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.265 14.816 4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.019 16.563 4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.274 16.339 2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.334 17.420 3.036 1.00 0.00 H new ATOM 689 N GLN A 56 9.696 7.953 3.657 1.00 0.00 N ATOM 690 CA GLN A 56 10.711 7.134 3.016 1.00 0.00 C ATOM 691 C GLN A 56 10.170 5.732 2.759 1.00 0.00 C ATOM 692 O GLN A 56 10.482 4.785 3.484 1.00 0.00 O ATOM 693 CB GLN A 56 11.968 7.073 3.890 1.00 0.00 C ATOM 694 CG GLN A 56 13.099 6.258 3.282 1.00 0.00 C ATOM 695 CD GLN A 56 13.837 5.424 4.313 1.00 0.00 C ATOM 696 OE1 GLN A 56 15.051 5.546 4.472 1.00 0.00 O ATOM 697 NE2 GLN A 56 13.105 4.570 5.022 1.00 0.00 N ATOM 0 H GLN A 56 8.947 7.424 4.104 1.00 0.00 H new ATOM 0 HA GLN A 56 10.975 7.583 2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.322 8.088 4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.706 6.647 4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.695 5.602 2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.803 6.930 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.101 4.501 4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.548 3.984 5.730 1.00 0.00 H new ATOM 706 N ILE A 57 9.363 5.619 1.712 1.00 0.00 N ATOM 707 CA ILE A 57 8.759 4.346 1.321 1.00 0.00 C ATOM 708 C ILE A 57 8.613 4.264 -0.199 1.00 0.00 C ATOM 709 O ILE A 57 8.586 5.289 -0.884 1.00 0.00 O ATOM 710 CB ILE A 57 7.366 4.152 1.966 1.00 0.00 C ATOM 711 CG1 ILE A 57 7.415 4.433 3.472 1.00 0.00 C ATOM 712 CG2 ILE A 57 6.837 2.747 1.706 1.00 0.00 C ATOM 713 CD1 ILE A 57 8.161 3.379 4.266 1.00 0.00 C ATOM 0 H ILE A 57 9.108 6.402 1.110 1.00 0.00 H new ATOM 0 HA ILE A 57 9.423 3.557 1.674 1.00 0.00 H new ATOM 0 HB ILE A 57 6.684 4.867 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.888 5.401 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.396 4.507 3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.857 2.636 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.751 2.584 0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.524 2.015 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.153 3.646 5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.676 2.412 4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.191 3.320 3.914 1.00 0.00 H new ATOM 725 N ARG A 58 8.515 3.042 -0.718 1.00 0.00 N ATOM 726 CA ARG A 58 8.367 2.828 -2.155 1.00 0.00 C ATOM 727 C ARG A 58 7.430 1.657 -2.449 1.00 0.00 C ATOM 728 O ARG A 58 7.782 0.498 -2.233 1.00 0.00 O ATOM 729 CB ARG A 58 9.733 2.574 -2.801 1.00 0.00 C ATOM 730 CG ARG A 58 9.710 2.633 -4.322 1.00 0.00 C ATOM 731 CD ARG A 58 10.174 3.989 -4.834 1.00 0.00 C ATOM 732 NE ARG A 58 10.818 3.897 -6.146 1.00 0.00 N ATOM 733 CZ ARG A 58 11.072 4.949 -6.930 1.00 0.00 C ATOM 734 NH1 ARG A 58 10.738 6.177 -6.544 1.00 0.00 N ATOM 735 NH2 ARG A 58 11.665 4.771 -8.106 1.00 0.00 N ATOM 0 H ARG A 58 8.535 2.185 -0.165 1.00 0.00 H new ATOM 0 HA ARG A 58 7.930 3.731 -2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.444 3.311 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.096 1.595 -2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.352 1.851 -4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.700 2.434 -4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.319 4.663 -4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.872 4.426 -4.119 1.00 0.00 H new ATOM 0 HE ARG A 58 11.089 2.973 -6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.284 6.322 -5.642 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.936 6.974 -7.150 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.926 3.833 -8.409 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.860 5.573 -8.706 1.00 0.00 H new ATOM 749 N PHE A 59 6.242 1.972 -2.958 1.00 0.00 N ATOM 750 CA PHE A 59 5.254 0.952 -3.301 1.00 0.00 C ATOM 751 C PHE A 59 5.183 0.770 -4.814 1.00 0.00 C ATOM 752 O PHE A 59 5.441 1.708 -5.572 1.00 0.00 O ATOM 753 CB PHE A 59 3.871 1.338 -2.763 1.00 0.00 C ATOM 754 CG PHE A 59 3.580 0.813 -1.382 1.00 0.00 C ATOM 755 CD1 PHE A 59 4.165 1.394 -0.267 1.00 0.00 C ATOM 756 CD2 PHE A 59 2.714 -0.254 -1.197 1.00 0.00 C ATOM 757 CE1 PHE A 59 3.894 0.919 1.003 1.00 0.00 C ATOM 758 CE2 PHE A 59 2.439 -0.732 0.071 1.00 0.00 C ATOM 759 CZ PHE A 59 3.029 -0.144 1.172 1.00 0.00 C ATOM 0 H PHE A 59 5.939 2.928 -3.143 1.00 0.00 H new ATOM 0 HA PHE A 59 5.562 0.013 -2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.788 2.425 -2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.110 0.967 -3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.840 2.227 -0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.248 -0.718 -2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.359 1.379 1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.763 -1.565 0.200 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.814 -0.515 2.163 1.00 0.00 H new ATOM 769 N ARG A 60 4.828 -0.435 -5.254 1.00 0.00 N ATOM 770 CA ARG A 60 4.719 -0.721 -6.683 1.00 0.00 C ATOM 771 C ARG A 60 3.603 -1.722 -6.964 1.00 0.00 C ATOM 772 O ARG A 60 3.456 -2.720 -6.257 1.00 0.00 O ATOM 773 CB ARG A 60 6.040 -1.260 -7.243 1.00 0.00 C ATOM 774 CG ARG A 60 7.280 -0.577 -6.689 1.00 0.00 C ATOM 775 CD ARG A 60 8.535 -1.075 -7.386 1.00 0.00 C ATOM 776 NE ARG A 60 9.717 -0.295 -7.024 1.00 0.00 N ATOM 777 CZ ARG A 60 10.961 -0.635 -7.363 1.00 0.00 C ATOM 778 NH1 ARG A 60 11.186 -1.740 -8.071 1.00 0.00 N ATOM 779 NH2 ARG A 60 11.984 0.126 -6.991 1.00 0.00 N ATOM 0 H ARG A 60 4.612 -1.225 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 60 4.482 0.220 -7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.102 -2.327 -7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.033 -1.150 -8.327 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.193 0.502 -6.817 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.355 -0.766 -5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.700 -2.121 -7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.390 -1.031 -8.465 1.00 0.00 H new ATOM 0 HE ARG A 60 9.583 0.558 -6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.405 -2.331 -8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.139 -1.996 -8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.819 0.972 -6.445 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.935 -0.135 -7.251 1.00 0.00 H new ATOM 793 N PHE A 61 2.826 -1.446 -8.008 1.00 0.00 N ATOM 794 CA PHE A 61 1.726 -2.316 -8.406 1.00 0.00 C ATOM 795 C PHE A 61 2.176 -3.256 -9.523 1.00 0.00 C ATOM 796 O PHE A 61 2.151 -2.892 -10.701 1.00 0.00 O ATOM 797 CB PHE A 61 0.530 -1.475 -8.868 1.00 0.00 C ATOM 798 CG PHE A 61 -0.692 -2.287 -9.197 1.00 0.00 C ATOM 799 CD1 PHE A 61 -1.601 -2.630 -8.209 1.00 0.00 C ATOM 800 CD2 PHE A 61 -0.931 -2.707 -10.496 1.00 0.00 C ATOM 801 CE1 PHE A 61 -2.723 -3.375 -8.509 1.00 0.00 C ATOM 802 CE2 PHE A 61 -2.053 -3.454 -10.802 1.00 0.00 C ATOM 803 CZ PHE A 61 -2.951 -3.788 -9.808 1.00 0.00 C ATOM 0 H PHE A 61 2.940 -0.621 -8.596 1.00 0.00 H new ATOM 0 HA PHE A 61 1.422 -2.915 -7.548 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.279 -0.758 -8.087 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.820 -0.900 -9.747 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.429 -2.310 -7.192 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.233 -2.448 -11.278 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.423 -3.635 -7.729 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.227 -3.776 -11.818 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.829 -4.370 -10.045 1.00 0.00 H new ATOM 813 N ASP A 62 2.599 -4.463 -9.141 1.00 0.00 N ATOM 814 CA ASP A 62 3.072 -5.462 -10.102 1.00 0.00 C ATOM 815 C ASP A 62 4.167 -4.885 -11.008 1.00 0.00 C ATOM 816 O ASP A 62 4.246 -5.218 -12.193 1.00 0.00 O ATOM 817 CB ASP A 62 1.900 -5.989 -10.941 1.00 0.00 C ATOM 818 CG ASP A 62 1.460 -7.380 -10.519 1.00 0.00 C ATOM 819 OD1 ASP A 62 1.354 -7.629 -9.299 1.00 0.00 O ATOM 820 OD2 ASP A 62 1.219 -8.220 -11.411 1.00 0.00 O ATOM 0 H ASP A 62 2.624 -4.773 -8.170 1.00 0.00 H new ATOM 0 HA ASP A 62 3.505 -6.292 -9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.058 -5.303 -10.853 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.189 -6.006 -11.992 1.00 0.00 H new ATOM 825 N GLY A 63 5.010 -4.018 -10.439 1.00 0.00 N ATOM 826 CA GLY A 63 6.087 -3.409 -11.205 1.00 0.00 C ATOM 827 C GLY A 63 5.910 -1.911 -11.404 1.00 0.00 C ATOM 828 O GLY A 63 6.894 -1.178 -11.511 1.00 0.00 O ATOM 0 H GLY A 63 4.964 -3.728 -9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.034 -3.592 -10.697 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.150 -3.893 -12.179 1.00 0.00 H new ATOM 832 N GLN A 64 4.658 -1.454 -11.458 1.00 0.00 N ATOM 833 CA GLN A 64 4.360 -0.034 -11.651 1.00 0.00 C ATOM 834 C GLN A 64 4.604 0.769 -10.368 1.00 0.00 C ATOM 835 O GLN A 64 3.900 0.590 -9.373 1.00 0.00 O ATOM 836 CB GLN A 64 2.908 0.134 -12.109 1.00 0.00 C ATOM 837 CG GLN A 64 2.738 1.112 -13.261 1.00 0.00 C ATOM 838 CD GLN A 64 1.420 0.924 -13.989 1.00 0.00 C ATOM 839 OE1 GLN A 64 1.394 0.554 -15.163 1.00 0.00 O ATOM 840 NE2 GLN A 64 0.318 1.177 -13.293 1.00 0.00 N ATOM 0 H GLN A 64 3.833 -2.047 -11.371 1.00 0.00 H new ATOM 0 HA GLN A 64 5.031 0.352 -12.419 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.516 -0.838 -12.409 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.307 0.473 -11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.798 2.132 -12.880 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.560 0.986 -13.965 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.387 1.482 -12.322 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.597 1.067 -13.729 1.00 0.00 H new ATOM 849 N PRO A 65 5.616 1.666 -10.372 1.00 0.00 N ATOM 850 CA PRO A 65 5.957 2.493 -9.202 1.00 0.00 C ATOM 851 C PRO A 65 4.806 3.391 -8.750 1.00 0.00 C ATOM 852 O PRO A 65 4.120 4.003 -9.572 1.00 0.00 O ATOM 853 CB PRO A 65 7.136 3.347 -9.687 1.00 0.00 C ATOM 854 CG PRO A 65 7.684 2.617 -10.863 1.00 0.00 C ATOM 855 CD PRO A 65 6.511 1.939 -11.511 1.00 0.00 C ATOM 0 HA PRO A 65 6.187 1.873 -8.335 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.810 4.350 -9.962 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.889 3.460 -8.907 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.170 3.303 -11.556 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.435 1.889 -10.556 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.035 2.579 -12.254 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.806 1.022 -12.021 1.00 0.00 H new ATOM 863 N ILE A 66 4.608 3.468 -7.433 1.00 0.00 N ATOM 864 CA ILE A 66 3.548 4.291 -6.849 1.00 0.00 C ATOM 865 C ILE A 66 3.973 4.848 -5.488 1.00 0.00 C ATOM 866 O ILE A 66 4.872 4.309 -4.840 1.00 0.00 O ATOM 867 CB ILE A 66 2.235 3.491 -6.680 1.00 0.00 C ATOM 868 CG1 ILE A 66 2.508 2.147 -5.994 1.00 0.00 C ATOM 869 CG2 ILE A 66 1.565 3.279 -8.032 1.00 0.00 C ATOM 870 CD1 ILE A 66 1.254 1.370 -5.649 1.00 0.00 C ATOM 0 H ILE A 66 5.172 2.967 -6.747 1.00 0.00 H new ATOM 0 HA ILE A 66 3.372 5.116 -7.540 1.00 0.00 H new ATOM 0 HB ILE A 66 1.558 4.065 -6.047 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.134 1.538 -6.646 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.077 2.325 -5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.642 2.715 -7.896 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.336 4.246 -8.480 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.236 2.725 -8.688 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.528 0.432 -5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.636 1.959 -4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.694 1.160 -6.560 1.00 0.00 H new ATOM 882 N ASN A 67 3.322 5.930 -5.058 1.00 0.00 N ATOM 883 CA ASN A 67 3.638 6.553 -3.771 1.00 0.00 C ATOM 884 C ASN A 67 2.365 6.951 -3.018 1.00 0.00 C ATOM 885 O ASN A 67 1.258 6.806 -3.541 1.00 0.00 O ATOM 886 CB ASN A 67 4.525 7.784 -3.980 1.00 0.00 C ATOM 887 CG ASN A 67 6.004 7.448 -3.930 1.00 0.00 C ATOM 888 OD1 ASN A 67 6.740 7.687 -4.886 1.00 0.00 O ATOM 889 ND2 ASN A 67 6.447 6.891 -2.807 1.00 0.00 N ATOM 0 H ASN A 67 2.576 6.392 -5.579 1.00 0.00 H new ATOM 0 HA ASN A 67 4.175 5.820 -3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.291 8.238 -4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.298 8.526 -3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.432 6.645 -2.714 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.801 6.710 -2.038 1.00 0.00 H new ATOM 896 N GLU A 68 2.531 7.460 -1.789 1.00 0.00 N ATOM 897 CA GLU A 68 1.391 7.887 -0.972 1.00 0.00 C ATOM 898 C GLU A 68 0.742 9.132 -1.576 1.00 0.00 C ATOM 899 O GLU A 68 1.007 10.258 -1.150 1.00 0.00 O ATOM 900 CB GLU A 68 1.818 8.153 0.483 1.00 0.00 C ATOM 901 CG GLU A 68 2.989 9.121 0.627 1.00 0.00 C ATOM 902 CD GLU A 68 2.753 10.196 1.676 1.00 0.00 C ATOM 903 OE1 GLU A 68 1.604 10.674 1.801 1.00 0.00 O ATOM 904 OE2 GLU A 68 3.723 10.564 2.373 1.00 0.00 O ATOM 0 H GLU A 68 3.440 7.585 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 68 0.659 7.079 -0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.965 8.549 1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.086 7.205 0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.886 8.559 0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.179 9.597 -0.335 1.00 0.00 H new ATOM 911 N THR A 69 -0.102 8.913 -2.583 1.00 0.00 N ATOM 912 CA THR A 69 -0.791 10.007 -3.271 1.00 0.00 C ATOM 913 C THR A 69 -1.751 9.492 -4.355 1.00 0.00 C ATOM 914 O THR A 69 -2.741 10.156 -4.670 1.00 0.00 O ATOM 915 CB THR A 69 0.227 10.981 -3.890 1.00 0.00 C ATOM 916 OG1 THR A 69 -0.425 11.945 -4.704 1.00 0.00 O ATOM 917 CG2 THR A 69 1.289 10.306 -4.739 1.00 0.00 C ATOM 0 H THR A 69 -0.327 7.985 -2.943 1.00 0.00 H new ATOM 0 HA THR A 69 -1.385 10.533 -2.524 1.00 0.00 H new ATOM 0 HB THR A 69 0.719 11.447 -3.036 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.241 12.555 -5.086 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.968 11.059 -5.139 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.850 9.600 -4.126 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.813 9.773 -5.562 1.00 0.00 H new ATOM 925 N ASP A 70 -1.451 8.320 -4.932 1.00 0.00 N ATOM 926 CA ASP A 70 -2.287 7.739 -5.983 1.00 0.00 C ATOM 927 C ASP A 70 -3.757 7.665 -5.562 1.00 0.00 C ATOM 928 O ASP A 70 -4.088 7.830 -4.388 1.00 0.00 O ATOM 929 CB ASP A 70 -1.789 6.341 -6.350 1.00 0.00 C ATOM 930 CG ASP A 70 -2.061 5.993 -7.801 1.00 0.00 C ATOM 931 OD1 ASP A 70 -1.199 6.295 -8.652 1.00 0.00 O ATOM 932 OD2 ASP A 70 -3.138 5.426 -8.088 1.00 0.00 O ATOM 0 H ASP A 70 -0.635 7.759 -4.686 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.214 8.392 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.718 6.278 -6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.272 5.606 -5.706 1.00 0.00 H new ATOM 937 N THR A 71 -4.627 7.403 -6.535 1.00 0.00 N ATOM 938 CA THR A 71 -6.067 7.297 -6.291 1.00 0.00 C ATOM 939 C THR A 71 -6.775 6.573 -7.444 1.00 0.00 C ATOM 940 O THR A 71 -7.458 5.577 -7.215 1.00 0.00 O ATOM 941 CB THR A 71 -6.699 8.681 -6.072 1.00 0.00 C ATOM 942 OG1 THR A 71 -5.747 9.724 -6.233 1.00 0.00 O ATOM 943 CG2 THR A 71 -7.324 8.835 -4.702 1.00 0.00 C ATOM 0 H THR A 71 -4.358 7.259 -7.508 1.00 0.00 H new ATOM 0 HA THR A 71 -6.197 6.710 -5.382 1.00 0.00 H new ATOM 0 HB THR A 71 -7.479 8.757 -6.830 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.183 10.590 -6.088 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.753 9.833 -4.608 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.108 8.089 -4.574 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.561 8.695 -3.936 1.00 0.00 H new ATOM 951 N PRO A 72 -6.633 7.059 -8.702 1.00 0.00 N ATOM 952 CA PRO A 72 -7.275 6.430 -9.867 1.00 0.00 C ATOM 953 C PRO A 72 -7.126 4.907 -9.876 1.00 0.00 C ATOM 954 O PRO A 72 -8.107 4.184 -10.056 1.00 0.00 O ATOM 955 CB PRO A 72 -6.535 7.051 -11.047 1.00 0.00 C ATOM 956 CG PRO A 72 -6.143 8.404 -10.566 1.00 0.00 C ATOM 957 CD PRO A 72 -5.851 8.254 -9.095 1.00 0.00 C ATOM 0 HA PRO A 72 -8.352 6.600 -9.880 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.663 6.460 -11.325 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.173 7.112 -11.929 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.267 8.770 -11.102 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.944 9.125 -10.733 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.786 8.114 -8.910 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.159 9.136 -8.534 1.00 0.00 H new ATOM 965 N ALA A 73 -5.899 4.426 -9.659 1.00 0.00 N ATOM 966 CA ALA A 73 -5.636 2.987 -9.623 1.00 0.00 C ATOM 967 C ALA A 73 -6.318 2.360 -8.409 1.00 0.00 C ATOM 968 O ALA A 73 -6.895 1.272 -8.494 1.00 0.00 O ATOM 969 CB ALA A 73 -4.138 2.718 -9.595 1.00 0.00 C ATOM 0 H ALA A 73 -5.076 5.010 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.045 2.534 -10.526 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.962 1.643 -9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.676 3.139 -10.488 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.702 3.179 -8.709 1.00 0.00 H new ATOM 975 N GLN A 74 -6.260 3.074 -7.283 1.00 0.00 N ATOM 976 CA GLN A 74 -6.881 2.626 -6.040 1.00 0.00 C ATOM 977 C GLN A 74 -8.383 2.406 -6.231 1.00 0.00 C ATOM 978 O GLN A 74 -8.968 1.503 -5.633 1.00 0.00 O ATOM 979 CB GLN A 74 -6.648 3.658 -4.934 1.00 0.00 C ATOM 980 CG GLN A 74 -7.210 3.240 -3.585 1.00 0.00 C ATOM 981 CD GLN A 74 -8.544 3.896 -3.267 1.00 0.00 C ATOM 982 OE1 GLN A 74 -8.931 4.888 -3.887 1.00 0.00 O ATOM 983 NE2 GLN A 74 -9.256 3.343 -2.291 1.00 0.00 N ATOM 0 H GLN A 74 -5.784 3.973 -7.209 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.424 1.679 -5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.577 3.835 -4.833 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.101 4.604 -5.230 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.331 2.157 -3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.492 3.493 -2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.900 2.522 -1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.159 3.740 -2.031 1.00 0.00 H new ATOM 992 N LEU A 75 -8.998 3.236 -7.073 1.00 0.00 N ATOM 993 CA LEU A 75 -10.425 3.129 -7.351 1.00 0.00 C ATOM 994 C LEU A 75 -10.702 1.944 -8.272 1.00 0.00 C ATOM 995 O LEU A 75 -11.751 1.305 -8.176 1.00 0.00 O ATOM 996 CB LEU A 75 -10.939 4.420 -7.990 1.00 0.00 C ATOM 997 CG LEU A 75 -12.236 4.967 -7.393 1.00 0.00 C ATOM 998 CD1 LEU A 75 -11.943 5.804 -6.156 1.00 0.00 C ATOM 999 CD2 LEU A 75 -12.998 5.782 -8.431 1.00 0.00 C ATOM 0 H LEU A 75 -8.527 3.990 -7.574 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.949 2.969 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.166 5.184 -7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.093 4.244 -9.055 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.862 4.126 -7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.878 6.185 -5.745 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.443 5.187 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.298 6.640 -6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.919 6.164 -7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.381 6.617 -8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.240 5.149 -9.284 1.00 0.00 H new ATOM 1011 N GLU A 76 -9.748 1.655 -9.161 1.00 0.00 N ATOM 1012 CA GLU A 76 -9.880 0.545 -10.098 1.00 0.00 C ATOM 1013 C GLU A 76 -10.096 -0.773 -9.353 1.00 0.00 C ATOM 1014 O GLU A 76 -10.945 -1.579 -9.736 1.00 0.00 O ATOM 1015 CB GLU A 76 -8.638 0.446 -10.989 1.00 0.00 C ATOM 1016 CG GLU A 76 -8.949 0.057 -12.428 1.00 0.00 C ATOM 1017 CD GLU A 76 -9.387 1.237 -13.277 1.00 0.00 C ATOM 1018 OE1 GLU A 76 -10.205 2.049 -12.794 1.00 0.00 O ATOM 1019 OE2 GLU A 76 -8.912 1.348 -14.426 1.00 0.00 O ATOM 0 H GLU A 76 -8.876 2.177 -9.249 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.751 0.735 -10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.121 1.405 -10.985 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.953 -0.287 -10.563 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.065 -0.398 -12.875 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.734 -0.699 -12.433 1.00 0.00 H new ATOM 1026 N MET A 77 -9.327 -0.981 -8.284 1.00 0.00 N ATOM 1027 CA MET A 77 -9.443 -2.199 -7.481 1.00 0.00 C ATOM 1028 C MET A 77 -10.702 -2.160 -6.611 1.00 0.00 C ATOM 1029 O MET A 77 -11.161 -1.086 -6.218 1.00 0.00 O ATOM 1030 CB MET A 77 -8.202 -2.383 -6.602 1.00 0.00 C ATOM 1031 CG MET A 77 -7.998 -1.272 -5.582 1.00 0.00 C ATOM 1032 SD MET A 77 -7.143 -1.835 -4.097 1.00 0.00 S ATOM 1033 CE MET A 77 -6.605 -0.275 -3.399 1.00 0.00 C ATOM 0 H MET A 77 -8.619 -0.324 -7.955 1.00 0.00 H new ATOM 0 HA MET A 77 -9.520 -3.046 -8.163 1.00 0.00 H new ATOM 0 HB2 MET A 77 -8.279 -3.335 -6.077 1.00 0.00 H new ATOM 0 HB3 MET A 77 -7.321 -2.442 -7.242 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.427 -0.465 -6.040 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.967 -0.859 -5.303 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.454 -0.389 -2.326 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.668 0.029 -3.867 1.00 0.00 H new ATOM 0 HE3 MET A 77 -7.364 0.486 -3.580 1.00 0.00 H new ATOM 1043 N GLU A 78 -11.256 -3.336 -6.315 1.00 0.00 N ATOM 1044 CA GLU A 78 -12.464 -3.423 -5.491 1.00 0.00 C ATOM 1045 C GLU A 78 -12.394 -4.574 -4.484 1.00 0.00 C ATOM 1046 O GLU A 78 -12.767 -4.402 -3.323 1.00 0.00 O ATOM 1047 CB GLU A 78 -13.712 -3.569 -6.370 1.00 0.00 C ATOM 1048 CG GLU A 78 -13.586 -4.619 -7.464 1.00 0.00 C ATOM 1049 CD GLU A 78 -13.834 -4.052 -8.848 1.00 0.00 C ATOM 1050 OE1 GLU A 78 -15.008 -3.772 -9.175 1.00 0.00 O ATOM 1051 OE2 GLU A 78 -12.855 -3.884 -9.605 1.00 0.00 O ATOM 0 H GLU A 78 -10.892 -4.235 -6.630 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.531 -2.493 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.562 -3.822 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.933 -2.606 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.589 -5.057 -7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.295 -5.424 -7.273 1.00 0.00 H new ATOM 1058 N ASP A 79 -11.930 -5.746 -4.924 1.00 0.00 N ATOM 1059 CA ASP A 79 -11.836 -6.904 -4.037 1.00 0.00 C ATOM 1060 C ASP A 79 -10.410 -7.451 -3.970 1.00 0.00 C ATOM 1061 O ASP A 79 -9.760 -7.370 -2.929 1.00 0.00 O ATOM 1062 CB ASP A 79 -12.803 -8.001 -4.489 1.00 0.00 C ATOM 1063 CG ASP A 79 -13.755 -8.425 -3.386 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -14.451 -7.549 -2.829 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -13.803 -9.634 -3.078 1.00 0.00 O ATOM 0 H ASP A 79 -11.617 -5.916 -5.880 1.00 0.00 H new ATOM 0 HA ASP A 79 -12.112 -6.575 -3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.378 -7.645 -5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.233 -8.867 -4.826 1.00 0.00 H new ATOM 1070 N GLU A 80 -9.931 -8.013 -5.079 1.00 0.00 N ATOM 1071 CA GLU A 80 -8.584 -8.577 -5.131 1.00 0.00 C ATOM 1072 C GLU A 80 -7.580 -7.565 -5.672 1.00 0.00 C ATOM 1073 O GLU A 80 -7.777 -6.990 -6.744 1.00 0.00 O ATOM 1074 CB GLU A 80 -8.567 -9.838 -5.999 1.00 0.00 C ATOM 1075 CG GLU A 80 -8.559 -11.131 -5.198 1.00 0.00 C ATOM 1076 CD GLU A 80 -8.180 -12.337 -6.038 1.00 0.00 C ATOM 1077 OE1 GLU A 80 -7.091 -12.318 -6.652 1.00 0.00 O ATOM 1078 OE2 GLU A 80 -8.973 -13.300 -6.081 1.00 0.00 O ATOM 0 H GLU A 80 -10.454 -8.090 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.294 -8.837 -4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.440 -9.831 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.687 -9.814 -6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.858 -11.036 -4.369 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.546 -11.291 -4.764 1.00 0.00 H new ATOM 1085 N ASP A 81 -6.499 -7.362 -4.923 1.00 0.00 N ATOM 1086 CA ASP A 81 -5.448 -6.431 -5.319 1.00 0.00 C ATOM 1087 C ASP A 81 -4.134 -6.777 -4.623 1.00 0.00 C ATOM 1088 O ASP A 81 -4.131 -7.205 -3.467 1.00 0.00 O ATOM 1089 CB ASP A 81 -5.853 -4.993 -4.993 1.00 0.00 C ATOM 1090 CG ASP A 81 -5.240 -3.997 -5.955 1.00 0.00 C ATOM 1091 OD1 ASP A 81 -5.629 -4.001 -7.142 1.00 0.00 O ATOM 1092 OD2 ASP A 81 -4.365 -3.218 -5.525 1.00 0.00 O ATOM 0 H ASP A 81 -6.328 -7.833 -4.034 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.305 -6.518 -6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.939 -4.906 -5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.544 -4.751 -3.976 1.00 0.00 H new ATOM 1097 N THR A 82 -3.020 -6.595 -5.333 1.00 0.00 N ATOM 1098 CA THR A 82 -1.702 -6.898 -4.778 1.00 0.00 C ATOM 1099 C THR A 82 -0.684 -5.812 -5.128 1.00 0.00 C ATOM 1100 O THR A 82 -0.768 -5.182 -6.184 1.00 0.00 O ATOM 1101 CB THR A 82 -1.205 -8.256 -5.287 1.00 0.00 C ATOM 1102 OG1 THR A 82 -1.048 -8.240 -6.696 1.00 0.00 O ATOM 1103 CG2 THR A 82 -2.129 -9.408 -4.943 1.00 0.00 C ATOM 0 H THR A 82 -3.004 -6.241 -6.289 1.00 0.00 H new ATOM 0 HA THR A 82 -1.804 -6.935 -3.693 1.00 0.00 H new ATOM 0 HB THR A 82 -0.252 -8.415 -4.783 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.729 -9.115 -7.000 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.714 -10.337 -5.334 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.229 -9.483 -3.860 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.109 -9.233 -5.387 1.00 0.00 H new ATOM 1111 N ILE A 83 0.283 -5.612 -4.232 1.00 0.00 N ATOM 1112 CA ILE A 83 1.339 -4.617 -4.432 1.00 0.00 C ATOM 1113 C ILE A 83 2.592 -4.998 -3.648 1.00 0.00 C ATOM 1114 O ILE A 83 2.511 -5.672 -2.617 1.00 0.00 O ATOM 1115 CB ILE A 83 0.901 -3.191 -4.007 1.00 0.00 C ATOM 1116 CG1 ILE A 83 -0.212 -3.244 -2.957 1.00 0.00 C ATOM 1117 CG2 ILE A 83 0.454 -2.384 -5.217 1.00 0.00 C ATOM 1118 CD1 ILE A 83 0.259 -3.710 -1.597 1.00 0.00 C ATOM 0 H ILE A 83 0.357 -6.129 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 83 1.550 -4.606 -5.501 1.00 0.00 H new ATOM 0 HB ILE A 83 1.763 -2.696 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.655 -2.253 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.999 -3.911 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.151 -1.387 -4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.279 -2.303 -5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.388 -2.883 -5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.583 -3.722 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.675 -4.714 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.025 -3.030 -1.224 1.00 0.00 H new ATOM 1130 N ASP A 84 3.748 -4.556 -4.137 1.00 0.00 N ATOM 1131 CA ASP A 84 5.020 -4.840 -3.478 1.00 0.00 C ATOM 1132 C ASP A 84 5.586 -3.568 -2.861 1.00 0.00 C ATOM 1133 O ASP A 84 5.621 -2.518 -3.506 1.00 0.00 O ATOM 1134 CB ASP A 84 6.030 -5.435 -4.466 1.00 0.00 C ATOM 1135 CG ASP A 84 6.254 -4.552 -5.677 1.00 0.00 C ATOM 1136 OD1 ASP A 84 5.523 -4.715 -6.677 1.00 0.00 O ATOM 1137 OD2 ASP A 84 7.162 -3.697 -5.624 1.00 0.00 O ATOM 0 H ASP A 84 3.830 -3.999 -4.988 1.00 0.00 H new ATOM 0 HA ASP A 84 4.838 -5.572 -2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 84 6.980 -5.593 -3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.678 -6.413 -4.795 1.00 0.00 H new ATOM 1142 N VAL A 85 6.027 -3.665 -1.612 1.00 0.00 N ATOM 1143 CA VAL A 85 6.586 -2.515 -0.916 1.00 0.00 C ATOM 1144 C VAL A 85 8.101 -2.647 -0.756 1.00 0.00 C ATOM 1145 O VAL A 85 8.593 -3.402 0.088 1.00 0.00 O ATOM 1146 CB VAL A 85 5.917 -2.298 0.461 1.00 0.00 C ATOM 1147 CG1 VAL A 85 6.097 -3.509 1.367 1.00 0.00 C ATOM 1148 CG2 VAL A 85 6.454 -1.033 1.116 1.00 0.00 C ATOM 0 H VAL A 85 6.008 -4.525 -1.064 1.00 0.00 H new ATOM 0 HA VAL A 85 6.379 -1.639 -1.531 1.00 0.00 H new ATOM 0 HB VAL A 85 4.846 -2.174 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.614 -3.321 2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.646 -4.384 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.160 -3.690 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.974 -0.893 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.531 -1.124 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.242 -0.175 0.478 1.00 0.00 H new ATOM 1158 N PHE A 86 8.832 -1.905 -1.584 1.00 0.00 N ATOM 1159 CA PHE A 86 10.292 -1.919 -1.558 1.00 0.00 C ATOM 1160 C PHE A 86 10.831 -0.665 -0.870 1.00 0.00 C ATOM 1161 O PHE A 86 10.084 0.280 -0.609 1.00 0.00 O ATOM 1162 CB PHE A 86 10.845 -2.009 -2.986 1.00 0.00 C ATOM 1163 CG PHE A 86 10.463 -3.272 -3.718 1.00 0.00 C ATOM 1164 CD1 PHE A 86 10.160 -4.435 -3.025 1.00 0.00 C ATOM 1165 CD2 PHE A 86 10.402 -3.292 -5.104 1.00 0.00 C ATOM 1166 CE1 PHE A 86 9.809 -5.590 -3.698 1.00 0.00 C ATOM 1167 CE2 PHE A 86 10.050 -4.445 -5.782 1.00 0.00 C ATOM 1168 CZ PHE A 86 9.752 -5.594 -5.077 1.00 0.00 C ATOM 0 H PHE A 86 8.433 -1.282 -2.286 1.00 0.00 H new ATOM 0 HA PHE A 86 10.617 -2.793 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.490 -1.150 -3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.932 -1.939 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.199 -4.438 -1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 86 10.632 -2.396 -5.661 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.579 -6.489 -3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.008 -4.446 -6.861 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.475 -6.495 -5.604 1.00 0.00 H new ATOM 1178 N GLN A 87 12.133 -0.660 -0.580 1.00 0.00 N ATOM 1179 CA GLN A 87 12.767 0.483 0.076 1.00 0.00 C ATOM 1180 C GLN A 87 14.116 0.807 -0.563 1.00 0.00 C ATOM 1181 O GLN A 87 14.885 -0.094 -0.905 1.00 0.00 O ATOM 1182 CB GLN A 87 12.952 0.205 1.569 1.00 0.00 C ATOM 1183 CG GLN A 87 11.714 0.501 2.405 1.00 0.00 C ATOM 1184 CD GLN A 87 10.885 -0.739 2.684 1.00 0.00 C ATOM 1185 OE1 GLN A 87 9.724 -0.826 2.283 1.00 0.00 O ATOM 1186 NE2 GLN A 87 11.477 -1.706 3.378 1.00 0.00 N ATOM 0 H GLN A 87 12.766 -1.432 -0.788 1.00 0.00 H new ATOM 0 HA GLN A 87 12.112 1.345 -0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 87 13.229 -0.841 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.783 0.805 1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 87 12.018 0.950 3.351 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.098 1.236 1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.441 -1.592 3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.967 -2.562 3.598 1.00 0.00 H new ATOM 1195 N GLN A 88 14.395 2.101 -0.716 1.00 0.00 N ATOM 1196 CA GLN A 88 15.652 2.552 -1.312 1.00 0.00 C ATOM 1197 C GLN A 88 16.741 2.704 -0.251 1.00 0.00 C ATOM 1198 O GLN A 88 16.464 2.666 0.949 1.00 0.00 O ATOM 1199 CB GLN A 88 15.449 3.881 -2.049 1.00 0.00 C ATOM 1200 CG GLN A 88 15.027 5.031 -1.144 1.00 0.00 C ATOM 1201 CD GLN A 88 16.178 5.958 -0.803 1.00 0.00 C ATOM 1202 OE1 GLN A 88 16.861 5.775 0.205 1.00 0.00 O ATOM 1203 NE2 GLN A 88 16.401 6.964 -1.643 1.00 0.00 N ATOM 0 H GLN A 88 13.768 2.855 -0.436 1.00 0.00 H new ATOM 0 HA GLN A 88 15.973 1.795 -2.027 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.377 4.151 -2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.693 3.744 -2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.238 5.602 -1.633 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.605 4.628 -0.223 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.812 7.080 -2.467 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.162 7.619 -1.463 1.00 0.00 H new ATOM 1212 N GLN A 89 17.982 2.876 -0.705 1.00 0.00 N ATOM 1213 CA GLN A 89 19.115 3.035 0.203 1.00 0.00 C ATOM 1214 C GLN A 89 20.312 3.657 -0.517 1.00 0.00 C ATOM 1215 O GLN A 89 20.390 3.633 -1.747 1.00 0.00 O ATOM 1216 CB GLN A 89 19.510 1.679 0.798 1.00 0.00 C ATOM 1217 CG GLN A 89 19.144 1.524 2.267 1.00 0.00 C ATOM 1218 CD GLN A 89 19.418 0.127 2.792 1.00 0.00 C ATOM 1219 OE1 GLN A 89 20.534 -0.183 3.209 1.00 0.00 O ATOM 1220 NE2 GLN A 89 18.399 -0.725 2.777 1.00 0.00 N ATOM 0 H GLN A 89 18.227 2.909 -1.695 1.00 0.00 H new ATOM 0 HA GLN A 89 18.812 3.705 1.007 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.026 0.887 0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 89 20.585 1.542 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 89 19.708 2.247 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 89 18.088 1.758 2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.490 -0.427 2.423 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.525 -1.677 3.120 1.00 0.00 H new ATOM 1229 N THR A 90 21.243 4.212 0.261 1.00 0.00 N ATOM 1230 CA THR A 90 22.441 4.836 -0.296 1.00 0.00 C ATOM 1231 C THR A 90 23.678 3.993 0.018 1.00 0.00 C ATOM 1232 O THR A 90 24.441 4.305 0.936 1.00 0.00 O ATOM 1233 CB THR A 90 22.612 6.262 0.254 1.00 0.00 C ATOM 1234 OG1 THR A 90 21.363 6.811 0.644 1.00 0.00 O ATOM 1235 CG2 THR A 90 23.240 7.223 -0.737 1.00 0.00 C ATOM 0 H THR A 90 21.189 4.241 1.279 1.00 0.00 H new ATOM 0 HA THR A 90 22.326 4.894 -1.378 1.00 0.00 H new ATOM 0 HB THR A 90 23.281 6.154 1.108 1.00 0.00 H new ATOM 0 HG1 THR A 90 21.498 7.717 0.992 1.00 0.00 H new ATOM 0 HG21 THR A 90 23.330 8.209 -0.281 1.00 0.00 H new ATOM 0 HG22 THR A 90 24.229 6.862 -1.017 1.00 0.00 H new ATOM 0 HG23 THR A 90 22.613 7.290 -1.626 1.00 0.00 H new ATOM 1243 N GLY A 91 23.863 2.917 -0.747 1.00 0.00 N ATOM 1244 CA GLY A 91 25.000 2.037 -0.538 1.00 0.00 C ATOM 1245 C GLY A 91 26.252 2.515 -1.253 1.00 0.00 C ATOM 1246 O GLY A 91 26.203 2.875 -2.431 1.00 0.00 O ATOM 0 H GLY A 91 23.244 2.640 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 91 25.204 1.961 0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 91 24.748 1.036 -0.887 1.00 0.00 H new ATOM 1250 N GLY A 92 27.375 2.517 -0.534 1.00 0.00 N ATOM 1251 CA GLY A 92 28.635 2.953 -1.110 1.00 0.00 C ATOM 1252 C GLY A 92 28.741 4.463 -1.197 1.00 0.00 C ATOM 1253 O GLY A 92 28.535 5.010 -2.301 1.00 0.00 O ATOM 0 H GLY A 92 27.432 2.223 0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 92 29.458 2.568 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 92 28.742 2.526 -2.107 1.00 0.00 H new TER 1257 GLY A 92