USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 698 hydrogens (24 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 68 SER OG : rot -170:sc= 0.145 USER MOD Set 1.2: A 71 SER OG : rot 108:sc= 1.11 USER MOD Single : A 1 MET CE :methyl -144:sc= -0.235 (180deg=-1.56!) USER MOD Single : A 1 MET N :NH3+ -118:sc= -2.95 (180deg=-4.03!) USER MOD Single : A 2 GLN : amide:sc= -3.22! C(o=-3.2!,f=-9!) USER MOD Single : A 3 HIS : no HE2:sc= -11.8! C(o=-12!,f=-14!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0179 USER MOD Single : A 9 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -0.0498 (180deg=-0.46) USER MOD Single : A 62 SER OG : rot 180:sc= 0.379 USER MOD Single : A 65 HIS : no HE2:sc= -2.31 K(o=-2.3,f=-3.8!) USER MOD Single : A 80 THR OG1 : rot 179:sc= 0.0509 USER MOD Single : A 81 THR OG1 : rot -68:sc= 0.378 USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= -1.35! (180deg=-1.76!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.825 -2.637 -0.998 1.00 0.00 N ATOM 2 CA MET A 1 12.268 -4.046 -0.795 1.00 0.00 C ATOM 3 C MET A 1 11.689 -4.925 -1.906 1.00 0.00 C ATOM 4 O MET A 1 11.774 -4.602 -3.074 1.00 0.00 O ATOM 5 CB MET A 1 11.768 -4.547 0.563 1.00 0.00 C ATOM 6 CG MET A 1 12.294 -3.636 1.676 1.00 0.00 C ATOM 7 SD MET A 1 14.104 -3.599 1.628 1.00 0.00 S ATOM 8 CE MET A 1 14.375 -5.357 1.957 1.00 0.00 C ATOM 0 H1 MET A 1 12.656 -2.031 -1.154 1.00 0.00 H new ATOM 0 H2 MET A 1 11.199 -2.586 -1.827 1.00 0.00 H new ATOM 0 H3 MET A 1 11.311 -2.310 -0.155 1.00 0.00 H new ATOM 0 HA MET A 1 13.357 -4.093 -0.822 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.678 -4.562 0.577 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.103 -5.571 0.729 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.896 -2.629 1.553 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.953 -3.997 2.646 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.265 -5.479 2.575 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.511 -5.767 2.480 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.513 -5.887 1.014 1.00 0.00 H new ATOM 20 N GLN A 2 11.102 -6.036 -1.552 1.00 0.00 N ATOM 21 CA GLN A 2 10.520 -6.933 -2.589 1.00 0.00 C ATOM 22 C GLN A 2 9.463 -6.167 -3.388 1.00 0.00 C ATOM 23 O GLN A 2 9.300 -6.371 -4.574 1.00 0.00 O ATOM 24 CB GLN A 2 9.873 -8.143 -1.914 1.00 0.00 C ATOM 25 CG GLN A 2 10.949 -8.974 -1.213 1.00 0.00 C ATOM 26 CD GLN A 2 10.298 -10.162 -0.504 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.098 -10.186 -0.311 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.042 -11.157 -0.104 1.00 0.00 N ATOM 0 H GLN A 2 11.001 -6.360 -0.590 1.00 0.00 H new ATOM 0 HA GLN A 2 11.309 -7.273 -3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.126 -7.813 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.354 -8.751 -2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 2 11.681 -9.327 -1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.487 -8.358 -0.493 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.049 -11.138 -0.265 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.616 -11.954 0.370 1.00 0.00 H new ATOM 37 N HIS A 3 8.744 -5.288 -2.748 1.00 0.00 N ATOM 38 CA HIS A 3 7.699 -4.511 -3.471 1.00 0.00 C ATOM 39 C HIS A 3 7.356 -3.255 -2.670 1.00 0.00 C ATOM 40 O HIS A 3 6.287 -2.692 -2.807 1.00 0.00 O ATOM 41 CB HIS A 3 6.444 -5.370 -3.634 1.00 0.00 C ATOM 42 CG HIS A 3 5.664 -5.370 -2.350 1.00 0.00 C ATOM 43 ND1 HIS A 3 4.472 -4.673 -2.206 1.00 0.00 N ATOM 44 CD2 HIS A 3 5.892 -5.978 -1.139 1.00 0.00 C ATOM 45 CE1 HIS A 3 4.032 -4.877 -0.951 1.00 0.00 C ATOM 46 NE2 HIS A 3 4.860 -5.664 -0.262 1.00 0.00 N ATOM 0 H HIS A 3 8.835 -5.074 -1.755 1.00 0.00 H new ATOM 0 HA HIS A 3 8.073 -4.226 -4.454 1.00 0.00 H new ATOM 0 HB2 HIS A 3 5.828 -4.982 -4.445 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.721 -6.389 -3.903 1.00 0.00 H new ATOM 0 HD1 HIS A 3 4.013 -4.109 -2.921 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.741 -6.603 -0.905 1.00 0.00 H new ATOM 0 HE1 HIS A 3 3.121 -4.456 -0.551 1.00 0.00 H new ATOM 55 N ALA A 4 8.252 -2.811 -1.832 1.00 0.00 N ATOM 56 CA ALA A 4 7.972 -1.592 -1.022 1.00 0.00 C ATOM 57 C ALA A 4 7.752 -0.400 -1.956 1.00 0.00 C ATOM 58 O ALA A 4 6.902 0.437 -1.717 1.00 0.00 O ATOM 59 CB ALA A 4 9.161 -1.307 -0.103 1.00 0.00 C ATOM 0 H ALA A 4 9.164 -3.239 -1.673 1.00 0.00 H new ATOM 0 HA ALA A 4 7.078 -1.752 -0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.957 -0.415 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.319 -2.156 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.055 -1.146 -0.705 1.00 0.00 H new ATOM 65 N SER A 5 8.505 -0.315 -3.019 1.00 0.00 N ATOM 66 CA SER A 5 8.329 0.824 -3.962 1.00 0.00 C ATOM 67 C SER A 5 6.936 0.753 -4.588 1.00 0.00 C ATOM 68 O SER A 5 6.314 1.761 -4.861 1.00 0.00 O ATOM 69 CB SER A 5 9.388 0.745 -5.061 1.00 0.00 C ATOM 70 OG SER A 5 9.131 -0.387 -5.881 1.00 0.00 O ATOM 0 H SER A 5 9.232 -0.983 -3.274 1.00 0.00 H new ATOM 0 HA SER A 5 8.438 1.765 -3.422 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.374 1.654 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.382 0.670 -4.620 1.00 0.00 H new ATOM 0 HG SER A 5 9.808 -0.439 -6.588 1.00 0.00 H new ATOM 76 N VAL A 6 6.438 -0.432 -4.812 1.00 0.00 N ATOM 77 CA VAL A 6 5.083 -0.570 -5.414 1.00 0.00 C ATOM 78 C VAL A 6 4.037 -0.052 -4.430 1.00 0.00 C ATOM 79 O VAL A 6 3.066 0.564 -4.812 1.00 0.00 O ATOM 80 CB VAL A 6 4.804 -2.038 -5.725 1.00 0.00 C ATOM 81 CG1 VAL A 6 3.346 -2.202 -6.161 1.00 0.00 C ATOM 82 CG2 VAL A 6 5.727 -2.505 -6.853 1.00 0.00 C ATOM 0 H VAL A 6 6.912 -1.311 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 6 5.037 0.009 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 6 4.986 -2.637 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.148 -3.251 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.687 -1.870 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.163 -1.602 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.528 -3.553 -7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.545 -1.904 -7.744 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.766 -2.390 -6.544 1.00 0.00 H new ATOM 92 N ILE A 7 4.225 -0.303 -3.166 1.00 0.00 N ATOM 93 CA ILE A 7 3.237 0.174 -2.159 1.00 0.00 C ATOM 94 C ILE A 7 3.146 1.700 -2.215 1.00 0.00 C ATOM 95 O ILE A 7 2.074 2.264 -2.310 1.00 0.00 O ATOM 96 CB ILE A 7 3.688 -0.266 -0.765 1.00 0.00 C ATOM 97 CG1 ILE A 7 3.772 -1.793 -0.724 1.00 0.00 C ATOM 98 CG2 ILE A 7 2.677 0.219 0.276 1.00 0.00 C ATOM 99 CD1 ILE A 7 4.395 -2.240 0.601 1.00 0.00 C ATOM 0 H ILE A 7 5.019 -0.818 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 7 2.257 -0.251 -2.375 1.00 0.00 H new ATOM 0 HB ILE A 7 4.666 0.161 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.777 -2.225 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.370 -2.157 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.999 -0.095 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.613 1.307 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.698 -0.209 0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.453 -3.328 0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.397 -1.821 0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.779 -1.890 1.429 1.00 0.00 H new ATOM 111 N ALA A 8 4.264 2.372 -2.168 1.00 0.00 N ATOM 112 CA ALA A 8 4.240 3.863 -2.231 1.00 0.00 C ATOM 113 C ALA A 8 3.687 4.295 -3.587 1.00 0.00 C ATOM 114 O ALA A 8 2.869 5.187 -3.685 1.00 0.00 O ATOM 115 CB ALA A 8 5.661 4.405 -2.067 1.00 0.00 C ATOM 0 H ALA A 8 5.192 1.955 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 8 3.610 4.254 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.643 5.494 -2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.062 4.089 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.292 4.019 -2.867 1.00 0.00 H new ATOM 121 N GLN A 9 4.131 3.662 -4.632 1.00 0.00 N ATOM 122 CA GLN A 9 3.641 4.015 -5.991 1.00 0.00 C ATOM 123 C GLN A 9 2.158 3.658 -6.112 1.00 0.00 C ATOM 124 O GLN A 9 1.377 4.380 -6.695 1.00 0.00 O ATOM 125 CB GLN A 9 4.439 3.212 -7.025 1.00 0.00 C ATOM 126 CG GLN A 9 3.993 3.590 -8.437 1.00 0.00 C ATOM 127 CD GLN A 9 3.667 2.317 -9.222 1.00 0.00 C ATOM 128 OE1 GLN A 9 4.373 1.960 -10.143 1.00 0.00 O ATOM 129 NE2 GLN A 9 2.620 1.613 -8.890 1.00 0.00 N ATOM 0 H GLN A 9 4.818 2.909 -4.604 1.00 0.00 H new ATOM 0 HA GLN A 9 3.769 5.084 -6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.505 3.408 -6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.291 2.144 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.118 4.238 -8.393 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.780 4.151 -8.942 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.028 1.914 -8.116 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.394 0.762 -9.404 1.00 0.00 H new ATOM 138 N PHE A 10 1.778 2.536 -5.579 1.00 0.00 N ATOM 139 CA PHE A 10 0.358 2.085 -5.667 1.00 0.00 C ATOM 140 C PHE A 10 -0.569 3.011 -4.875 1.00 0.00 C ATOM 141 O PHE A 10 -1.595 3.440 -5.363 1.00 0.00 O ATOM 142 CB PHE A 10 0.267 0.666 -5.100 1.00 0.00 C ATOM 143 CG PHE A 10 -1.125 0.118 -5.296 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.065 0.212 -4.264 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.472 -0.493 -6.507 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.353 -0.307 -4.441 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.760 -1.009 -6.685 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.701 -0.917 -5.653 1.00 0.00 C ATOM 0 H PHE A 10 2.397 1.899 -5.077 1.00 0.00 H new ATOM 0 HA PHE A 10 0.042 2.107 -6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.993 0.021 -5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.518 0.673 -4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.797 0.685 -3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.746 -0.566 -7.303 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.078 -0.237 -3.644 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.029 -1.479 -7.620 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.695 -1.316 -5.791 1.00 0.00 H new ATOM 158 N VAL A 11 -0.234 3.300 -3.651 1.00 0.00 N ATOM 159 CA VAL A 11 -1.119 4.174 -2.824 1.00 0.00 C ATOM 160 C VAL A 11 -1.099 5.623 -3.329 1.00 0.00 C ATOM 161 O VAL A 11 -2.127 6.258 -3.433 1.00 0.00 O ATOM 162 CB VAL A 11 -0.657 4.131 -1.363 1.00 0.00 C ATOM 163 CG1 VAL A 11 0.830 4.473 -1.273 1.00 0.00 C ATOM 164 CG2 VAL A 11 -1.459 5.149 -0.553 1.00 0.00 C ATOM 0 H VAL A 11 0.612 2.971 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.140 3.801 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.817 3.129 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.149 4.440 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.405 3.750 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.998 5.473 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.135 5.123 0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.296 6.147 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.520 4.904 -0.609 1.00 0.00 H new ATOM 174 N VAL A 12 0.054 6.156 -3.628 1.00 0.00 N ATOM 175 CA VAL A 12 0.127 7.569 -4.103 1.00 0.00 C ATOM 176 C VAL A 12 -0.525 7.712 -5.482 1.00 0.00 C ATOM 177 O VAL A 12 -1.099 8.735 -5.800 1.00 0.00 O ATOM 178 CB VAL A 12 1.589 7.998 -4.194 1.00 0.00 C ATOM 179 CG1 VAL A 12 2.288 7.761 -2.853 1.00 0.00 C ATOM 180 CG2 VAL A 12 2.284 7.186 -5.284 1.00 0.00 C ATOM 0 H VAL A 12 0.951 5.674 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.407 8.202 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 12 1.639 9.059 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.331 8.070 -2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.791 8.342 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.240 6.702 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.329 7.489 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.229 6.125 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.791 7.363 -6.240 1.00 0.00 H new ATOM 190 N GLU A 13 -0.424 6.712 -6.310 1.00 0.00 N ATOM 191 CA GLU A 13 -1.022 6.813 -7.674 1.00 0.00 C ATOM 192 C GLU A 13 -2.486 7.236 -7.568 1.00 0.00 C ATOM 193 O GLU A 13 -2.991 7.975 -8.391 1.00 0.00 O ATOM 194 CB GLU A 13 -0.939 5.454 -8.371 1.00 0.00 C ATOM 195 CG GLU A 13 -1.454 5.571 -9.804 1.00 0.00 C ATOM 196 CD GLU A 13 -1.512 4.182 -10.441 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.181 3.225 -9.759 1.00 0.00 O ATOM 198 OE2 GLU A 13 -1.887 4.097 -11.597 1.00 0.00 O ATOM 0 H GLU A 13 0.045 5.830 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.471 7.556 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.092 5.100 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.528 4.718 -7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.444 6.027 -9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.800 6.222 -10.385 1.00 0.00 H new ATOM 205 N GLU A 14 -3.175 6.772 -6.567 1.00 0.00 N ATOM 206 CA GLU A 14 -4.609 7.142 -6.413 1.00 0.00 C ATOM 207 C GLU A 14 -4.749 8.636 -6.098 1.00 0.00 C ATOM 208 O GLU A 14 -5.713 9.267 -6.481 1.00 0.00 O ATOM 209 CB GLU A 14 -5.222 6.325 -5.273 1.00 0.00 C ATOM 210 CG GLU A 14 -5.217 4.842 -5.648 1.00 0.00 C ATOM 211 CD GLU A 14 -5.890 4.032 -4.539 1.00 0.00 C ATOM 212 OE1 GLU A 14 -6.121 2.852 -4.750 1.00 0.00 O ATOM 213 OE2 GLU A 14 -6.164 4.604 -3.497 1.00 0.00 O ATOM 0 H GLU A 14 -2.808 6.151 -5.846 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.129 6.930 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.656 6.481 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.241 6.659 -5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.742 4.693 -6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.194 4.497 -5.795 1.00 0.00 H new ATOM 220 N PHE A 15 -3.814 9.203 -5.384 1.00 0.00 N ATOM 221 CA PHE A 15 -3.928 10.650 -5.032 1.00 0.00 C ATOM 222 C PHE A 15 -3.142 11.518 -6.019 1.00 0.00 C ATOM 223 O PHE A 15 -3.706 12.340 -6.714 1.00 0.00 O ATOM 224 CB PHE A 15 -3.383 10.871 -3.621 1.00 0.00 C ATOM 225 CG PHE A 15 -4.090 9.943 -2.667 1.00 0.00 C ATOM 226 CD1 PHE A 15 -5.296 10.326 -2.070 1.00 0.00 C ATOM 227 CD2 PHE A 15 -3.536 8.692 -2.387 1.00 0.00 C ATOM 228 CE1 PHE A 15 -5.948 9.451 -1.192 1.00 0.00 C ATOM 229 CE2 PHE A 15 -4.185 7.818 -1.511 1.00 0.00 C ATOM 230 CZ PHE A 15 -5.392 8.197 -0.913 1.00 0.00 C ATOM 0 H PHE A 15 -2.981 8.732 -5.031 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.979 10.936 -5.080 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.309 10.685 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.533 11.907 -3.318 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.723 11.294 -2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.604 8.400 -2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.879 9.744 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.755 6.851 -1.296 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.895 7.522 -0.236 1.00 0.00 H new ATOM 240 N LEU A 16 -1.842 11.363 -6.067 1.00 0.00 N ATOM 241 CA LEU A 16 -1.024 12.206 -6.992 1.00 0.00 C ATOM 242 C LEU A 16 -0.186 11.326 -7.925 1.00 0.00 C ATOM 243 O LEU A 16 0.981 11.087 -7.683 1.00 0.00 O ATOM 244 CB LEU A 16 -0.089 13.090 -6.164 1.00 0.00 C ATOM 245 CG LEU A 16 -0.663 14.507 -6.085 1.00 0.00 C ATOM 246 CD1 LEU A 16 -2.069 14.455 -5.485 1.00 0.00 C ATOM 247 CD2 LEU A 16 0.237 15.371 -5.198 1.00 0.00 C ATOM 0 H LEU A 16 -1.314 10.692 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.693 12.820 -7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.027 12.677 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.903 13.113 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.710 14.937 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.478 15.464 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.710 13.838 -6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.022 14.026 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.170 16.381 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.283 14.941 -4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.240 15.408 -5.624 1.00 0.00 H new ATOM 259 N PRO A 17 -0.776 10.864 -8.994 1.00 0.00 N ATOM 260 CA PRO A 17 -0.084 10.017 -9.998 1.00 0.00 C ATOM 261 C PRO A 17 0.691 10.855 -11.022 1.00 0.00 C ATOM 262 O PRO A 17 1.567 10.364 -11.706 1.00 0.00 O ATOM 263 CB PRO A 17 -1.230 9.272 -10.675 1.00 0.00 C ATOM 264 CG PRO A 17 -2.411 10.181 -10.569 1.00 0.00 C ATOM 265 CD PRO A 17 -2.179 11.097 -9.363 1.00 0.00 C ATOM 0 HA PRO A 17 0.659 9.361 -9.544 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.995 9.053 -11.717 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.423 8.318 -10.184 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.526 10.768 -11.480 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.328 9.605 -10.443 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.355 12.142 -9.618 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.852 10.851 -8.542 1.00 0.00 H new ATOM 273 N ASP A 18 0.372 12.118 -11.131 1.00 0.00 N ATOM 274 CA ASP A 18 1.084 12.988 -12.107 1.00 0.00 C ATOM 275 C ASP A 18 2.459 13.355 -11.547 1.00 0.00 C ATOM 276 O ASP A 18 3.256 14.001 -12.198 1.00 0.00 O ATOM 277 CB ASP A 18 0.269 14.258 -12.332 1.00 0.00 C ATOM 278 CG ASP A 18 -1.033 13.911 -13.055 1.00 0.00 C ATOM 279 OD1 ASP A 18 -1.141 12.794 -13.536 1.00 0.00 O ATOM 280 OD2 ASP A 18 -1.901 14.766 -13.116 1.00 0.00 O ATOM 0 H ASP A 18 -0.353 12.583 -10.584 1.00 0.00 H new ATOM 0 HA ASP A 18 1.207 12.460 -13.053 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.050 14.736 -11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.845 14.972 -12.921 1.00 0.00 H new ATOM 285 N VAL A 19 2.742 12.933 -10.347 1.00 0.00 N ATOM 286 CA VAL A 19 4.062 13.238 -9.731 1.00 0.00 C ATOM 287 C VAL A 19 4.876 11.947 -9.667 1.00 0.00 C ATOM 288 O VAL A 19 4.337 10.878 -9.457 1.00 0.00 O ATOM 289 CB VAL A 19 3.856 13.784 -8.317 1.00 0.00 C ATOM 290 CG1 VAL A 19 5.207 14.192 -7.725 1.00 0.00 C ATOM 291 CG2 VAL A 19 2.935 15.006 -8.373 1.00 0.00 C ATOM 0 H VAL A 19 2.110 12.386 -9.762 1.00 0.00 H new ATOM 0 HA VAL A 19 4.588 13.984 -10.326 1.00 0.00 H new ATOM 0 HB VAL A 19 3.403 13.014 -7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.060 14.581 -6.717 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.865 13.324 -7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.660 14.962 -8.349 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.787 15.397 -7.366 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.389 15.775 -8.998 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.973 14.717 -8.795 1.00 0.00 H new ATOM 301 N ALA A 20 6.164 12.021 -9.856 1.00 0.00 N ATOM 302 CA ALA A 20 6.976 10.777 -9.811 1.00 0.00 C ATOM 303 C ALA A 20 6.836 10.154 -8.411 1.00 0.00 C ATOM 304 O ALA A 20 7.206 10.766 -7.430 1.00 0.00 O ATOM 305 CB ALA A 20 8.445 11.119 -10.069 1.00 0.00 C ATOM 0 H ALA A 20 6.684 12.880 -10.038 1.00 0.00 H new ATOM 0 HA ALA A 20 6.631 10.076 -10.571 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.042 10.208 -10.036 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.544 11.582 -11.051 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.797 11.811 -9.304 1.00 0.00 H new ATOM 311 N PRO A 21 6.294 8.958 -8.300 1.00 0.00 N ATOM 312 CA PRO A 21 6.109 8.305 -6.974 1.00 0.00 C ATOM 313 C PRO A 21 7.446 7.988 -6.298 1.00 0.00 C ATOM 314 O PRO A 21 7.552 7.962 -5.088 1.00 0.00 O ATOM 315 CB PRO A 21 5.314 7.032 -7.277 1.00 0.00 C ATOM 316 CG PRO A 21 5.490 6.767 -8.733 1.00 0.00 C ATOM 317 CD PRO A 21 5.819 8.099 -9.402 1.00 0.00 C ATOM 0 HA PRO A 21 5.590 8.957 -6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.679 6.195 -6.682 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.260 7.163 -7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.291 6.046 -8.898 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.582 6.338 -9.158 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.583 7.979 -10.170 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.942 8.526 -9.889 1.00 0.00 H new ATOM 325 N ALA A 22 8.468 7.758 -7.074 1.00 0.00 N ATOM 326 CA ALA A 22 9.802 7.456 -6.484 1.00 0.00 C ATOM 327 C ALA A 22 10.393 8.736 -5.888 1.00 0.00 C ATOM 328 O ALA A 22 11.337 8.701 -5.126 1.00 0.00 O ATOM 329 CB ALA A 22 10.734 6.923 -7.575 1.00 0.00 C ATOM 0 H ALA A 22 8.437 7.766 -8.093 1.00 0.00 H new ATOM 0 HA ALA A 22 9.694 6.705 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.710 6.702 -7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.312 6.013 -8.002 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.845 7.674 -8.358 1.00 0.00 H new ATOM 335 N ASP A 23 9.840 9.868 -6.234 1.00 0.00 N ATOM 336 CA ASP A 23 10.365 11.153 -5.696 1.00 0.00 C ATOM 337 C ASP A 23 9.628 11.499 -4.403 1.00 0.00 C ATOM 338 O ASP A 23 9.783 12.572 -3.855 1.00 0.00 O ATOM 339 CB ASP A 23 10.148 12.267 -6.723 1.00 0.00 C ATOM 340 CG ASP A 23 11.036 12.017 -7.942 1.00 0.00 C ATOM 341 OD1 ASP A 23 10.856 12.707 -8.933 1.00 0.00 O ATOM 342 OD2 ASP A 23 11.881 11.141 -7.866 1.00 0.00 O ATOM 0 H ASP A 23 9.046 9.956 -6.868 1.00 0.00 H new ATOM 0 HA ASP A 23 11.431 11.054 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.101 12.300 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.384 13.235 -6.281 1.00 0.00 H new ATOM 347 N VAL A 24 8.830 10.594 -3.909 1.00 0.00 N ATOM 348 CA VAL A 24 8.087 10.865 -2.650 1.00 0.00 C ATOM 349 C VAL A 24 8.839 10.222 -1.487 1.00 0.00 C ATOM 350 O VAL A 24 9.319 9.111 -1.586 1.00 0.00 O ATOM 351 CB VAL A 24 6.682 10.266 -2.745 1.00 0.00 C ATOM 352 CG1 VAL A 24 5.889 10.619 -1.485 1.00 0.00 C ATOM 353 CG2 VAL A 24 5.968 10.838 -3.972 1.00 0.00 C ATOM 0 H VAL A 24 8.661 9.678 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 24 8.007 11.940 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 24 6.755 9.182 -2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.888 10.192 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.397 10.214 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.816 11.703 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.967 10.413 -4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.896 11.922 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.532 10.588 -4.871 1.00 0.00 H new ATOM 363 N ASP A 25 8.959 10.913 -0.389 1.00 0.00 N ATOM 364 CA ASP A 25 9.693 10.336 0.768 1.00 0.00 C ATOM 365 C ASP A 25 8.932 9.123 1.300 1.00 0.00 C ATOM 366 O ASP A 25 8.153 9.224 2.228 1.00 0.00 O ATOM 367 CB ASP A 25 9.815 11.388 1.872 1.00 0.00 C ATOM 368 CG ASP A 25 10.714 12.529 1.394 1.00 0.00 C ATOM 369 OD1 ASP A 25 11.370 12.356 0.381 1.00 0.00 O ATOM 370 OD2 ASP A 25 10.730 13.559 2.049 1.00 0.00 O ATOM 0 H ASP A 25 8.582 11.849 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 25 10.689 10.028 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.829 11.773 2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.230 10.938 2.774 1.00 0.00 H new ATOM 375 N VAL A 26 9.153 7.974 0.722 1.00 0.00 N ATOM 376 CA VAL A 26 8.443 6.754 1.200 1.00 0.00 C ATOM 377 C VAL A 26 8.792 6.510 2.669 1.00 0.00 C ATOM 378 O VAL A 26 8.324 5.570 3.283 1.00 0.00 O ATOM 379 CB VAL A 26 8.878 5.549 0.364 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.626 5.838 -1.117 1.00 0.00 C ATOM 381 CG2 VAL A 26 10.369 5.289 0.585 1.00 0.00 C ATOM 0 H VAL A 26 9.793 7.827 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 26 7.367 6.894 1.099 1.00 0.00 H new ATOM 0 HB VAL A 26 8.306 4.671 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.936 4.980 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.564 6.026 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.198 6.715 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.681 4.431 -0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.940 6.167 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.550 5.084 1.640 1.00 0.00 H new ATOM 391 N ASP A 27 9.607 7.354 3.240 1.00 0.00 N ATOM 392 CA ASP A 27 9.981 7.181 4.673 1.00 0.00 C ATOM 393 C ASP A 27 9.018 7.993 5.539 1.00 0.00 C ATOM 394 O ASP A 27 9.192 8.119 6.736 1.00 0.00 O ATOM 395 CB ASP A 27 11.411 7.681 4.892 1.00 0.00 C ATOM 396 CG ASP A 27 12.389 6.780 4.135 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.973 5.717 3.704 1.00 0.00 O ATOM 398 OD2 ASP A 27 13.537 7.170 3.997 1.00 0.00 O ATOM 0 H ASP A 27 10.031 8.157 2.776 1.00 0.00 H new ATOM 0 HA ASP A 27 9.923 6.127 4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.505 8.710 4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.649 7.681 5.956 1.00 0.00 H new ATOM 403 N LEU A 28 8.001 8.546 4.938 1.00 0.00 N ATOM 404 CA LEU A 28 7.017 9.355 5.710 1.00 0.00 C ATOM 405 C LEU A 28 5.845 8.472 6.123 1.00 0.00 C ATOM 406 O LEU A 28 5.329 7.703 5.337 1.00 0.00 O ATOM 407 CB LEU A 28 6.496 10.493 4.829 1.00 0.00 C ATOM 408 CG LEU A 28 5.592 11.419 5.648 1.00 0.00 C ATOM 409 CD1 LEU A 28 6.443 12.483 6.341 1.00 0.00 C ATOM 410 CD2 LEU A 28 4.581 12.093 4.717 1.00 0.00 C ATOM 0 H LEU A 28 7.808 8.472 3.939 1.00 0.00 H new ATOM 0 HA LEU A 28 7.501 9.763 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.333 11.058 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.942 10.085 3.984 1.00 0.00 H new ATOM 0 HG LEU A 28 5.060 10.838 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.799 13.142 6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.162 12.000 7.003 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.976 13.067 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.936 12.753 5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.112 12.675 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.974 11.332 4.227 1.00 0.00 H new ATOM 422 N ASP A 29 5.406 8.585 7.344 1.00 0.00 N ATOM 423 CA ASP A 29 4.255 7.759 7.782 1.00 0.00 C ATOM 424 C ASP A 29 3.039 8.164 6.953 1.00 0.00 C ATOM 425 O ASP A 29 2.645 9.313 6.935 1.00 0.00 O ATOM 426 CB ASP A 29 3.975 8.002 9.267 1.00 0.00 C ATOM 427 CG ASP A 29 5.148 7.483 10.100 1.00 0.00 C ATOM 428 OD1 ASP A 29 5.207 7.810 11.274 1.00 0.00 O ATOM 429 OD2 ASP A 29 5.967 6.765 9.551 1.00 0.00 O ATOM 0 H ASP A 29 5.793 9.210 8.051 1.00 0.00 H new ATOM 0 HA ASP A 29 4.474 6.701 7.640 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.828 9.066 9.451 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.055 7.497 9.562 1.00 0.00 H new ATOM 434 N LEU A 30 2.453 7.238 6.251 1.00 0.00 N ATOM 435 CA LEU A 30 1.278 7.585 5.408 1.00 0.00 C ATOM 436 C LEU A 30 0.086 7.938 6.298 1.00 0.00 C ATOM 437 O LEU A 30 -1.007 8.167 5.820 1.00 0.00 O ATOM 438 CB LEU A 30 0.917 6.396 4.515 1.00 0.00 C ATOM 439 CG LEU A 30 0.706 5.155 5.381 1.00 0.00 C ATOM 440 CD1 LEU A 30 -0.578 4.444 4.953 1.00 0.00 C ATOM 441 CD2 LEU A 30 1.892 4.206 5.207 1.00 0.00 C ATOM 0 H LEU A 30 2.736 6.258 6.224 1.00 0.00 H new ATOM 0 HA LEU A 30 1.527 8.444 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.012 6.615 3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.712 6.217 3.791 1.00 0.00 H new ATOM 0 HG LEU A 30 0.625 5.453 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.727 3.559 5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.425 5.119 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.498 4.147 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.743 3.320 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.971 3.910 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.809 4.710 5.512 1.00 0.00 H new ATOM 453 N VAL A 31 0.281 7.991 7.588 1.00 0.00 N ATOM 454 CA VAL A 31 -0.854 8.337 8.486 1.00 0.00 C ATOM 455 C VAL A 31 -1.479 9.640 7.998 1.00 0.00 C ATOM 456 O VAL A 31 -2.684 9.798 7.990 1.00 0.00 O ATOM 457 CB VAL A 31 -0.346 8.508 9.918 1.00 0.00 C ATOM 458 CG1 VAL A 31 0.366 9.855 10.051 1.00 0.00 C ATOM 459 CG2 VAL A 31 -1.528 8.457 10.888 1.00 0.00 C ATOM 0 H VAL A 31 1.170 7.811 8.054 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.598 7.541 8.472 1.00 0.00 H new ATOM 0 HB VAL A 31 0.352 7.705 10.153 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.728 9.976 11.072 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.209 9.891 9.361 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.331 10.660 9.815 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.166 8.579 11.909 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.227 9.260 10.652 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.034 7.496 10.795 1.00 0.00 H new ATOM 469 N ASP A 32 -0.673 10.566 7.562 1.00 0.00 N ATOM 470 CA ASP A 32 -1.231 11.841 7.042 1.00 0.00 C ATOM 471 C ASP A 32 -2.176 11.497 5.896 1.00 0.00 C ATOM 472 O ASP A 32 -3.203 12.119 5.704 1.00 0.00 O ATOM 473 CB ASP A 32 -0.096 12.733 6.529 1.00 0.00 C ATOM 474 CG ASP A 32 -0.644 14.123 6.204 1.00 0.00 C ATOM 475 OD1 ASP A 32 0.111 14.931 5.689 1.00 0.00 O ATOM 476 OD2 ASP A 32 -1.812 14.356 6.475 1.00 0.00 O ATOM 0 H ASP A 32 0.344 10.495 7.544 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.762 12.377 7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.690 12.807 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.354 12.291 5.640 1.00 0.00 H new ATOM 481 N ASN A 33 -1.834 10.488 5.143 1.00 0.00 N ATOM 482 CA ASN A 33 -2.695 10.058 4.013 1.00 0.00 C ATOM 483 C ASN A 33 -3.751 9.092 4.541 1.00 0.00 C ATOM 484 O ASN A 33 -4.338 8.330 3.798 1.00 0.00 O ATOM 485 CB ASN A 33 -1.849 9.359 2.956 1.00 0.00 C ATOM 486 CG ASN A 33 -0.762 10.309 2.465 1.00 0.00 C ATOM 487 OD1 ASN A 33 -1.021 11.466 2.197 1.00 0.00 O ATOM 488 ND2 ASN A 33 0.455 9.868 2.341 1.00 0.00 N ATOM 0 H ASN A 33 -0.984 9.939 5.267 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.175 10.928 3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.399 8.458 3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.476 9.045 2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.194 10.493 2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.671 8.897 2.566 1.00 0.00 H new ATOM 495 N GLY A 34 -3.987 9.115 5.827 1.00 0.00 N ATOM 496 CA GLY A 34 -5.003 8.204 6.425 1.00 0.00 C ATOM 497 C GLY A 34 -6.242 8.172 5.532 1.00 0.00 C ATOM 498 O GLY A 34 -7.087 7.310 5.657 1.00 0.00 O ATOM 0 H GLY A 34 -3.516 9.730 6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.591 7.200 6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.270 8.545 7.425 1.00 0.00 H new ATOM 502 N VAL A 35 -6.352 9.097 4.624 1.00 0.00 N ATOM 503 CA VAL A 35 -7.532 9.111 3.717 1.00 0.00 C ATOM 504 C VAL A 35 -7.684 7.723 3.095 1.00 0.00 C ATOM 505 O VAL A 35 -8.776 7.238 2.879 1.00 0.00 O ATOM 506 CB VAL A 35 -7.313 10.145 2.611 1.00 0.00 C ATOM 507 CG1 VAL A 35 -8.388 9.982 1.535 1.00 0.00 C ATOM 508 CG2 VAL A 35 -7.397 11.553 3.205 1.00 0.00 C ATOM 0 H VAL A 35 -5.676 9.845 4.470 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.431 9.371 4.276 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.329 9.995 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.230 10.720 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.329 8.980 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.372 10.130 1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.241 12.290 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.380 11.702 3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.630 11.672 3.970 1.00 0.00 H new ATOM 518 N ILE A 36 -6.586 7.083 2.805 1.00 0.00 N ATOM 519 CA ILE A 36 -6.640 5.725 2.197 1.00 0.00 C ATOM 520 C ILE A 36 -7.147 4.710 3.224 1.00 0.00 C ATOM 521 O ILE A 36 -7.593 3.636 2.878 1.00 0.00 O ATOM 522 CB ILE A 36 -5.234 5.314 1.760 1.00 0.00 C ATOM 523 CG1 ILE A 36 -5.322 4.106 0.824 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.417 4.938 2.998 1.00 0.00 C ATOM 525 CD1 ILE A 36 -4.072 3.237 0.981 1.00 0.00 C ATOM 0 H ILE A 36 -5.646 7.446 2.965 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.314 5.747 1.341 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.755 6.142 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.213 3.522 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.416 4.441 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.412 4.643 2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.357 5.795 3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.899 4.107 3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.139 2.379 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.188 3.823 0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.997 2.890 2.011 1.00 0.00 H new ATOM 537 N ASP A 37 -7.054 5.028 4.483 1.00 0.00 N ATOM 538 CA ASP A 37 -7.497 4.068 5.535 1.00 0.00 C ATOM 539 C ASP A 37 -8.915 3.564 5.255 1.00 0.00 C ATOM 540 O ASP A 37 -9.234 2.427 5.544 1.00 0.00 O ATOM 541 CB ASP A 37 -7.471 4.756 6.900 1.00 0.00 C ATOM 542 CG ASP A 37 -6.030 5.112 7.268 1.00 0.00 C ATOM 543 OD1 ASP A 37 -5.849 5.889 8.190 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.131 4.601 6.619 1.00 0.00 O ATOM 0 H ASP A 37 -6.689 5.914 4.832 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.816 3.217 5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.084 5.657 6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.899 4.099 7.658 1.00 0.00 H new ATOM 549 N SER A 38 -9.776 4.394 4.726 1.00 0.00 N ATOM 550 CA SER A 38 -11.179 3.943 4.470 1.00 0.00 C ATOM 551 C SER A 38 -11.530 4.017 2.980 1.00 0.00 C ATOM 552 O SER A 38 -11.852 3.021 2.363 1.00 0.00 O ATOM 553 CB SER A 38 -12.141 4.830 5.260 1.00 0.00 C ATOM 554 OG SER A 38 -12.032 4.522 6.654 1.00 0.00 O ATOM 0 H SER A 38 -9.572 5.358 4.461 1.00 0.00 H new ATOM 0 HA SER A 38 -11.268 2.904 4.787 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.908 5.881 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.164 4.670 4.919 1.00 0.00 H new ATOM 559 N LEU A 39 -11.502 5.183 2.401 1.00 0.00 N ATOM 560 CA LEU A 39 -11.870 5.301 0.961 1.00 0.00 C ATOM 561 C LEU A 39 -10.905 4.488 0.104 1.00 0.00 C ATOM 562 O LEU A 39 -11.309 3.668 -0.697 1.00 0.00 O ATOM 563 CB LEU A 39 -11.811 6.771 0.543 1.00 0.00 C ATOM 564 CG LEU A 39 -12.349 6.933 -0.882 1.00 0.00 C ATOM 565 CD1 LEU A 39 -13.167 8.221 -0.975 1.00 0.00 C ATOM 566 CD2 LEU A 39 -11.178 7.008 -1.867 1.00 0.00 C ATOM 0 H LEU A 39 -11.242 6.057 2.858 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.880 4.917 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.398 7.378 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.784 7.132 0.596 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.980 6.079 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.550 8.336 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.001 8.173 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.534 9.073 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.562 7.123 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.548 7.862 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.590 6.092 -1.804 1.00 0.00 H new ATOM 578 N GLY A 40 -9.635 4.702 0.268 1.00 0.00 N ATOM 579 CA GLY A 40 -8.643 3.939 -0.532 1.00 0.00 C ATOM 580 C GLY A 40 -8.605 2.488 -0.054 1.00 0.00 C ATOM 581 O GLY A 40 -8.524 1.566 -0.840 1.00 0.00 O ATOM 0 H GLY A 40 -9.238 5.375 0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.907 3.977 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.656 4.391 -0.433 1.00 0.00 H new ATOM 585 N LEU A 41 -8.658 2.281 1.233 1.00 0.00 N ATOM 586 CA LEU A 41 -8.619 0.892 1.763 1.00 0.00 C ATOM 587 C LEU A 41 -9.786 0.096 1.190 1.00 0.00 C ATOM 588 O LEU A 41 -9.639 -1.047 0.812 1.00 0.00 O ATOM 589 CB LEU A 41 -8.722 0.919 3.291 1.00 0.00 C ATOM 590 CG LEU A 41 -8.571 -0.501 3.846 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.743 -0.459 5.131 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.954 -1.083 4.156 1.00 0.00 C ATOM 0 H LEU A 41 -8.727 3.014 1.939 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.679 0.422 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.949 1.566 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.682 1.337 3.593 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.071 -1.126 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.635 -1.469 5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.758 -0.046 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.246 0.168 5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.844 -2.093 4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.455 -0.457 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.549 -1.113 3.243 1.00 0.00 H new ATOM 604 N LEU A 42 -10.946 0.687 1.118 1.00 0.00 N ATOM 605 CA LEU A 42 -12.115 -0.053 0.567 1.00 0.00 C ATOM 606 C LEU A 42 -11.800 -0.483 -0.864 1.00 0.00 C ATOM 607 O LEU A 42 -12.045 -1.608 -1.255 1.00 0.00 O ATOM 608 CB LEU A 42 -13.345 0.862 0.571 1.00 0.00 C ATOM 609 CG LEU A 42 -14.584 0.072 0.147 1.00 0.00 C ATOM 610 CD1 LEU A 42 -15.129 -0.699 1.347 1.00 0.00 C ATOM 611 CD2 LEU A 42 -15.654 1.040 -0.362 1.00 0.00 C ATOM 0 H LEU A 42 -11.135 1.644 1.415 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.319 -0.932 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.494 1.281 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.188 1.700 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.317 -0.627 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.012 -1.263 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.367 -1.387 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.397 0.001 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.538 0.479 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.921 1.737 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.266 1.595 -1.216 1.00 0.00 H new ATOM 623 N LYS A 43 -11.239 0.398 -1.645 1.00 0.00 N ATOM 624 CA LYS A 43 -10.887 0.037 -3.040 1.00 0.00 C ATOM 625 C LYS A 43 -9.800 -1.038 -3.017 1.00 0.00 C ATOM 626 O LYS A 43 -9.751 -1.911 -3.861 1.00 0.00 O ATOM 627 CB LYS A 43 -10.368 1.274 -3.766 1.00 0.00 C ATOM 628 CG LYS A 43 -11.491 2.309 -3.880 1.00 0.00 C ATOM 629 CD LYS A 43 -11.004 3.500 -4.708 1.00 0.00 C ATOM 630 CE LYS A 43 -12.081 4.586 -4.724 1.00 0.00 C ATOM 631 NZ LYS A 43 -13.320 4.047 -5.354 1.00 0.00 N ATOM 0 H LYS A 43 -11.010 1.354 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.767 -0.343 -3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.522 1.698 -3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.008 1.002 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.367 1.861 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.795 2.642 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.080 3.896 -4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.779 3.181 -5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.292 4.919 -3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.727 5.456 -5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.941 4.835 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.068 3.495 -6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.816 3.435 -4.675 1.00 0.00 H new ATOM 645 N VAL A 44 -8.919 -0.970 -2.055 1.00 0.00 N ATOM 646 CA VAL A 44 -7.820 -1.971 -1.970 1.00 0.00 C ATOM 647 C VAL A 44 -8.392 -3.376 -1.753 1.00 0.00 C ATOM 648 O VAL A 44 -7.930 -4.335 -2.337 1.00 0.00 O ATOM 649 CB VAL A 44 -6.898 -1.611 -0.804 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.864 -2.722 -0.607 1.00 0.00 C ATOM 651 CG2 VAL A 44 -6.178 -0.297 -1.114 1.00 0.00 C ATOM 0 H VAL A 44 -8.915 -0.261 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.259 -1.961 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.489 -1.500 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.207 -2.465 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.375 -3.660 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.272 -2.834 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.520 -0.038 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.588 -0.411 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.913 0.496 -1.256 1.00 0.00 H new ATOM 661 N ILE A 45 -9.384 -3.514 -0.917 1.00 0.00 N ATOM 662 CA ILE A 45 -9.961 -4.864 -0.675 1.00 0.00 C ATOM 663 C ILE A 45 -10.484 -5.443 -1.991 1.00 0.00 C ATOM 664 O ILE A 45 -10.187 -6.565 -2.346 1.00 0.00 O ATOM 665 CB ILE A 45 -11.115 -4.757 0.325 1.00 0.00 C ATOM 666 CG1 ILE A 45 -10.641 -4.091 1.622 1.00 0.00 C ATOM 667 CG2 ILE A 45 -11.630 -6.153 0.643 1.00 0.00 C ATOM 668 CD1 ILE A 45 -9.354 -4.754 2.116 1.00 0.00 C ATOM 0 H ILE A 45 -9.818 -2.753 -0.394 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.188 -5.518 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.908 -4.152 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.469 -3.028 1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.416 -4.171 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.452 -6.084 1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.982 -6.628 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.825 -6.748 1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.027 -4.272 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -9.539 -5.811 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.578 -4.651 1.358 1.00 0.00 H new ATOM 680 N ALA A 46 -11.261 -4.688 -2.719 1.00 0.00 N ATOM 681 CA ALA A 46 -11.796 -5.207 -4.010 1.00 0.00 C ATOM 682 C ALA A 46 -10.640 -5.416 -4.990 1.00 0.00 C ATOM 683 O ALA A 46 -10.588 -6.394 -5.707 1.00 0.00 O ATOM 684 CB ALA A 46 -12.785 -4.197 -4.596 1.00 0.00 C ATOM 0 H ALA A 46 -11.547 -3.739 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.305 -6.155 -3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.176 -4.576 -5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.608 -4.046 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.277 -3.248 -4.769 1.00 0.00 H new ATOM 690 N TRP A 47 -9.709 -4.503 -5.016 1.00 0.00 N ATOM 691 CA TRP A 47 -8.547 -4.638 -5.937 1.00 0.00 C ATOM 692 C TRP A 47 -7.694 -5.828 -5.502 1.00 0.00 C ATOM 693 O TRP A 47 -7.220 -6.597 -6.314 1.00 0.00 O ATOM 694 CB TRP A 47 -7.717 -3.355 -5.874 1.00 0.00 C ATOM 695 CG TRP A 47 -6.435 -3.537 -6.616 1.00 0.00 C ATOM 696 CD1 TRP A 47 -6.296 -3.463 -7.959 1.00 0.00 C ATOM 697 CD2 TRP A 47 -5.108 -3.811 -6.081 1.00 0.00 C ATOM 698 NE1 TRP A 47 -4.968 -3.675 -8.283 1.00 0.00 N ATOM 699 CE2 TRP A 47 -4.196 -3.895 -7.159 1.00 0.00 C ATOM 700 CE3 TRP A 47 -4.612 -3.993 -4.778 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -2.840 -4.151 -6.951 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -3.249 -4.251 -4.565 1.00 0.00 C ATOM 703 CH2 TRP A 47 -2.364 -4.329 -5.650 1.00 0.00 C ATOM 0 H TRP A 47 -9.704 -3.665 -4.435 1.00 0.00 H new ATOM 0 HA TRP A 47 -8.894 -4.801 -6.958 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.280 -2.527 -6.304 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.512 -3.096 -4.835 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.092 -3.270 -8.663 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.603 -3.670 -9.236 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.285 -3.934 -3.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.163 -4.211 -7.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.880 -4.390 -3.560 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.316 -4.526 -5.480 1.00 0.00 H new ATOM 714 N LEU A 48 -7.494 -5.982 -4.222 1.00 0.00 N ATOM 715 CA LEU A 48 -6.673 -7.118 -3.730 1.00 0.00 C ATOM 716 C LEU A 48 -7.321 -8.432 -4.167 1.00 0.00 C ATOM 717 O LEU A 48 -6.670 -9.317 -4.686 1.00 0.00 O ATOM 718 CB LEU A 48 -6.617 -7.060 -2.203 1.00 0.00 C ATOM 719 CG LEU A 48 -5.637 -8.101 -1.681 1.00 0.00 C ATOM 720 CD1 LEU A 48 -4.217 -7.553 -1.784 1.00 0.00 C ATOM 721 CD2 LEU A 48 -5.963 -8.410 -0.219 1.00 0.00 C ATOM 0 H LEU A 48 -7.865 -5.368 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.665 -7.057 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.311 -6.065 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.608 -7.240 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.717 -9.013 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.512 -8.296 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.989 -7.327 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.134 -6.643 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.264 -9.155 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.878 -7.499 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.980 -8.796 -0.147 1.00 0.00 H new ATOM 733 N GLU A 49 -8.606 -8.557 -3.978 1.00 0.00 N ATOM 734 CA GLU A 49 -9.307 -9.800 -4.400 1.00 0.00 C ATOM 735 C GLU A 49 -9.303 -9.886 -5.923 1.00 0.00 C ATOM 736 O GLU A 49 -9.235 -10.952 -6.498 1.00 0.00 O ATOM 737 CB GLU A 49 -10.751 -9.781 -3.883 1.00 0.00 C ATOM 738 CG GLU A 49 -11.483 -11.040 -4.342 1.00 0.00 C ATOM 739 CD GLU A 49 -12.932 -10.995 -3.856 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.301 -10.005 -3.244 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.649 -11.951 -4.102 1.00 0.00 O ATOM 0 H GLU A 49 -9.201 -7.849 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.794 -10.668 -3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.756 -9.723 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.267 -8.895 -4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.455 -11.113 -5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.984 -11.926 -3.950 1.00 0.00 H new ATOM 748 N ASP A 50 -9.386 -8.769 -6.582 1.00 0.00 N ATOM 749 CA ASP A 50 -9.401 -8.780 -8.065 1.00 0.00 C ATOM 750 C ASP A 50 -8.126 -9.434 -8.604 1.00 0.00 C ATOM 751 O ASP A 50 -8.170 -10.261 -9.494 1.00 0.00 O ATOM 752 CB ASP A 50 -9.479 -7.336 -8.555 1.00 0.00 C ATOM 753 CG ASP A 50 -10.854 -6.755 -8.222 1.00 0.00 C ATOM 754 OD1 ASP A 50 -11.720 -7.521 -7.833 1.00 0.00 O ATOM 755 OD2 ASP A 50 -11.019 -5.555 -8.362 1.00 0.00 O ATOM 0 H ASP A 50 -9.444 -7.845 -6.155 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.260 -9.350 -8.420 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.697 -6.739 -8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.307 -7.296 -9.631 1.00 0.00 H new ATOM 760 N ARG A 51 -6.989 -9.064 -8.085 1.00 0.00 N ATOM 761 CA ARG A 51 -5.715 -9.655 -8.579 1.00 0.00 C ATOM 762 C ARG A 51 -5.356 -10.940 -7.820 1.00 0.00 C ATOM 763 O ARG A 51 -5.055 -11.956 -8.414 1.00 0.00 O ATOM 764 CB ARG A 51 -4.594 -8.635 -8.399 1.00 0.00 C ATOM 765 CG ARG A 51 -4.842 -7.437 -9.318 1.00 0.00 C ATOM 766 CD ARG A 51 -3.658 -6.473 -9.227 1.00 0.00 C ATOM 767 NE ARG A 51 -2.472 -7.079 -9.897 1.00 0.00 N ATOM 768 CZ ARG A 51 -1.511 -6.315 -10.337 1.00 0.00 C ATOM 769 NH1 ARG A 51 -0.472 -6.844 -10.924 1.00 0.00 N ATOM 770 NH2 ARG A 51 -1.588 -5.020 -10.191 1.00 0.00 N ATOM 0 H ARG A 51 -6.887 -8.376 -7.339 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.841 -9.909 -9.631 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.549 -8.307 -7.360 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.632 -9.092 -8.631 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.972 -7.774 -10.346 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.762 -6.928 -9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.911 -5.524 -9.700 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.429 -6.258 -8.183 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.412 -8.091 -10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.411 -7.856 -11.039 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.279 -6.246 -11.268 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.400 -4.606 -9.733 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.836 -4.422 -10.535 1.00 0.00 H new ATOM 784 N PHE A 52 -5.342 -10.895 -6.514 1.00 0.00 N ATOM 785 CA PHE A 52 -4.951 -12.100 -5.726 1.00 0.00 C ATOM 786 C PHE A 52 -6.111 -13.097 -5.604 1.00 0.00 C ATOM 787 O PHE A 52 -5.897 -14.278 -5.418 1.00 0.00 O ATOM 788 CB PHE A 52 -4.516 -11.655 -4.332 1.00 0.00 C ATOM 789 CG PHE A 52 -3.284 -10.789 -4.443 1.00 0.00 C ATOM 790 CD1 PHE A 52 -2.017 -11.380 -4.515 1.00 0.00 C ATOM 791 CD2 PHE A 52 -3.409 -9.395 -4.474 1.00 0.00 C ATOM 792 CE1 PHE A 52 -0.875 -10.576 -4.619 1.00 0.00 C ATOM 793 CE2 PHE A 52 -2.268 -8.591 -4.577 1.00 0.00 C ATOM 794 CZ PHE A 52 -1.000 -9.182 -4.650 1.00 0.00 C ATOM 0 H PHE A 52 -5.585 -10.075 -5.959 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.133 -12.601 -6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.320 -11.102 -3.848 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.307 -12.525 -3.709 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.920 -12.455 -4.490 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.387 -8.940 -4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.103 -11.032 -4.675 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.365 -7.516 -4.600 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.119 -8.562 -4.730 1.00 0.00 H new ATOM 804 N GLY A 53 -7.331 -12.648 -5.699 1.00 0.00 N ATOM 805 CA GLY A 53 -8.472 -13.604 -5.577 1.00 0.00 C ATOM 806 C GLY A 53 -8.693 -13.960 -4.102 1.00 0.00 C ATOM 807 O GLY A 53 -9.118 -15.049 -3.775 1.00 0.00 O ATOM 0 H GLY A 53 -7.588 -11.673 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.376 -13.161 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.266 -14.507 -6.152 1.00 0.00 H new ATOM 811 N ILE A 54 -8.407 -13.049 -3.212 1.00 0.00 N ATOM 812 CA ILE A 54 -8.597 -13.333 -1.759 1.00 0.00 C ATOM 813 C ILE A 54 -9.936 -12.752 -1.298 1.00 0.00 C ATOM 814 O ILE A 54 -10.370 -11.722 -1.766 1.00 0.00 O ATOM 815 CB ILE A 54 -7.461 -12.690 -0.965 1.00 0.00 C ATOM 816 CG1 ILE A 54 -6.125 -13.244 -1.460 1.00 0.00 C ATOM 817 CG2 ILE A 54 -7.629 -13.012 0.520 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.981 -12.404 -0.890 1.00 0.00 C ATOM 0 H ILE A 54 -8.049 -12.118 -3.428 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.593 -14.410 -1.593 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.483 -11.609 -1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.014 -14.284 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.094 -13.228 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.818 -12.553 1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.584 -12.621 0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.605 -14.092 0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.028 -12.799 -1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.089 -11.371 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.009 -12.443 0.199 1.00 0.00 H new ATOM 830 N ALA A 55 -10.597 -13.408 -0.387 1.00 0.00 N ATOM 831 CA ALA A 55 -11.913 -12.899 0.093 1.00 0.00 C ATOM 832 C ALA A 55 -11.732 -11.520 0.728 1.00 0.00 C ATOM 833 O ALA A 55 -10.724 -11.232 1.342 1.00 0.00 O ATOM 834 CB ALA A 55 -12.485 -13.867 1.130 1.00 0.00 C ATOM 0 H ALA A 55 -10.283 -14.276 0.047 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.599 -12.820 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.448 -13.496 1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.619 -14.849 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.797 -13.947 1.972 1.00 0.00 H new ATOM 840 N ALA A 56 -12.705 -10.663 0.575 1.00 0.00 N ATOM 841 CA ALA A 56 -12.601 -9.295 1.156 1.00 0.00 C ATOM 842 C ALA A 56 -12.476 -9.383 2.679 1.00 0.00 C ATOM 843 O ALA A 56 -11.775 -8.607 3.299 1.00 0.00 O ATOM 844 CB ALA A 56 -13.858 -8.501 0.798 1.00 0.00 C ATOM 0 H ALA A 56 -13.571 -10.853 0.070 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.719 -8.798 0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.788 -7.499 1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.949 -8.432 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.735 -9.005 1.204 1.00 0.00 H new ATOM 850 N ASP A 57 -13.152 -10.317 3.286 1.00 0.00 N ATOM 851 CA ASP A 57 -13.078 -10.448 4.769 1.00 0.00 C ATOM 852 C ASP A 57 -12.068 -11.534 5.148 1.00 0.00 C ATOM 853 O ASP A 57 -11.963 -11.920 6.295 1.00 0.00 O ATOM 854 CB ASP A 57 -14.454 -10.821 5.316 1.00 0.00 C ATOM 855 CG ASP A 57 -15.426 -9.661 5.092 1.00 0.00 C ATOM 856 OD1 ASP A 57 -14.962 -8.580 4.768 1.00 0.00 O ATOM 857 OD2 ASP A 57 -16.617 -9.873 5.250 1.00 0.00 O ATOM 0 H ASP A 57 -13.753 -10.996 2.820 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.759 -9.497 5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.823 -11.719 4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.384 -11.050 6.379 1.00 0.00 H new ATOM 862 N ASP A 58 -11.330 -12.034 4.196 1.00 0.00 N ATOM 863 CA ASP A 58 -10.337 -13.099 4.512 1.00 0.00 C ATOM 864 C ASP A 58 -9.385 -12.609 5.605 1.00 0.00 C ATOM 865 O ASP A 58 -9.026 -13.345 6.503 1.00 0.00 O ATOM 866 CB ASP A 58 -9.537 -13.440 3.257 1.00 0.00 C ATOM 867 CG ASP A 58 -8.688 -14.686 3.513 1.00 0.00 C ATOM 868 OD1 ASP A 58 -7.909 -15.037 2.642 1.00 0.00 O ATOM 869 OD2 ASP A 58 -8.832 -15.268 4.575 1.00 0.00 O ATOM 0 H ASP A 58 -11.371 -11.753 3.216 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.862 -13.988 4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.212 -13.613 2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.897 -12.602 2.982 1.00 0.00 H new ATOM 874 N VAL A 59 -8.974 -11.372 5.537 1.00 0.00 N ATOM 875 CA VAL A 59 -8.045 -10.835 6.576 1.00 0.00 C ATOM 876 C VAL A 59 -8.516 -9.449 7.021 1.00 0.00 C ATOM 877 O VAL A 59 -9.163 -8.735 6.282 1.00 0.00 O ATOM 878 CB VAL A 59 -6.636 -10.729 5.990 1.00 0.00 C ATOM 879 CG1 VAL A 59 -6.186 -12.102 5.487 1.00 0.00 C ATOM 880 CG2 VAL A 59 -6.641 -9.738 4.825 1.00 0.00 C ATOM 0 H VAL A 59 -9.240 -10.710 4.808 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.036 -11.506 7.435 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.949 -10.381 6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.182 -12.025 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.181 -12.810 6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.874 -12.450 4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.637 -9.662 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.329 -10.086 4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.960 -8.759 5.182 1.00 0.00 H new ATOM 890 N GLU A 60 -8.189 -9.060 8.225 1.00 0.00 N ATOM 891 CA GLU A 60 -8.607 -7.716 8.716 1.00 0.00 C ATOM 892 C GLU A 60 -7.422 -7.040 9.410 1.00 0.00 C ATOM 893 O GLU A 60 -6.911 -7.529 10.399 1.00 0.00 O ATOM 894 CB GLU A 60 -9.760 -7.872 9.710 1.00 0.00 C ATOM 895 CG GLU A 60 -10.945 -8.536 9.018 1.00 0.00 C ATOM 896 CD GLU A 60 -12.125 -8.619 9.987 1.00 0.00 C ATOM 897 OE1 GLU A 60 -13.207 -8.970 9.545 1.00 0.00 O ATOM 898 OE2 GLU A 60 -11.927 -8.331 11.156 1.00 0.00 O ATOM 0 H GLU A 60 -7.650 -9.616 8.889 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.934 -7.105 7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.440 -8.472 10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.053 -6.897 10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.228 -7.966 8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.668 -9.535 8.680 1.00 0.00 H new ATOM 905 N LEU A 61 -6.981 -5.920 8.899 1.00 0.00 N ATOM 906 CA LEU A 61 -5.828 -5.211 9.525 1.00 0.00 C ATOM 907 C LEU A 61 -6.312 -3.915 10.177 1.00 0.00 C ATOM 908 O LEU A 61 -7.132 -3.202 9.632 1.00 0.00 O ATOM 909 CB LEU A 61 -4.782 -4.881 8.454 1.00 0.00 C ATOM 910 CG LEU A 61 -4.386 -6.153 7.693 1.00 0.00 C ATOM 911 CD1 LEU A 61 -4.017 -7.255 8.687 1.00 0.00 C ATOM 912 CD2 LEU A 61 -5.555 -6.630 6.822 1.00 0.00 C ATOM 0 H LEU A 61 -7.371 -5.466 8.073 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.382 -5.854 10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.182 -4.142 7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.902 -4.437 8.919 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.529 -5.930 7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.736 -8.157 8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.178 -6.926 9.301 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.873 -7.469 9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.264 -7.533 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.416 -6.845 7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.816 -5.851 6.106 1.00 0.00 H new ATOM 924 N SER A 62 -5.804 -3.599 11.338 1.00 0.00 N ATOM 925 CA SER A 62 -6.227 -2.345 12.024 1.00 0.00 C ATOM 926 C SER A 62 -5.516 -1.152 11.379 1.00 0.00 C ATOM 927 O SER A 62 -4.524 -1.307 10.696 1.00 0.00 O ATOM 928 CB SER A 62 -5.851 -2.425 13.504 1.00 0.00 C ATOM 929 OG SER A 62 -5.043 -1.306 13.843 1.00 0.00 O ATOM 0 H SER A 62 -5.114 -4.156 11.841 1.00 0.00 H new ATOM 0 HA SER A 62 -7.306 -2.221 11.930 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.750 -2.439 14.120 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.313 -3.351 13.705 1.00 0.00 H new ATOM 0 HG SER A 62 -4.801 -1.353 14.791 1.00 0.00 H new ATOM 935 N PRO A 63 -6.024 0.031 11.600 1.00 0.00 N ATOM 936 CA PRO A 63 -5.433 1.280 11.035 1.00 0.00 C ATOM 937 C PRO A 63 -3.963 1.448 11.431 1.00 0.00 C ATOM 938 O PRO A 63 -3.186 2.062 10.727 1.00 0.00 O ATOM 939 CB PRO A 63 -6.283 2.410 11.632 1.00 0.00 C ATOM 940 CG PRO A 63 -7.081 1.794 12.736 1.00 0.00 C ATOM 941 CD PRO A 63 -7.212 0.309 12.411 1.00 0.00 C ATOM 0 HA PRO A 63 -5.444 1.270 9.945 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.651 3.214 12.010 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.936 2.846 10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -6.586 1.937 13.697 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.063 2.261 12.810 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -7.232 -0.300 13.315 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.130 0.097 11.863 1.00 0.00 H new ATOM 949 N GLU A 64 -3.577 0.899 12.550 1.00 0.00 N ATOM 950 CA GLU A 64 -2.158 1.017 12.991 1.00 0.00 C ATOM 951 C GLU A 64 -1.255 0.310 11.979 1.00 0.00 C ATOM 952 O GLU A 64 -0.099 0.647 11.819 1.00 0.00 O ATOM 953 CB GLU A 64 -1.995 0.369 14.364 1.00 0.00 C ATOM 954 CG GLU A 64 -2.809 1.142 15.396 1.00 0.00 C ATOM 955 CD GLU A 64 -2.589 0.536 16.782 1.00 0.00 C ATOM 956 OE1 GLU A 64 -3.033 1.136 17.747 1.00 0.00 O ATOM 957 OE2 GLU A 64 -1.980 -0.519 16.856 1.00 0.00 O ATOM 0 H GLU A 64 -4.184 0.373 13.179 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.880 2.069 13.055 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.326 -0.669 14.329 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.943 0.359 14.650 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.513 2.191 15.396 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.867 1.109 15.138 1.00 0.00 H new ATOM 964 N HIS A 65 -1.777 -0.674 11.300 1.00 0.00 N ATOM 965 CA HIS A 65 -0.959 -1.415 10.301 1.00 0.00 C ATOM 966 C HIS A 65 -0.616 -0.492 9.128 1.00 0.00 C ATOM 967 O HIS A 65 0.376 -0.674 8.451 1.00 0.00 O ATOM 968 CB HIS A 65 -1.756 -2.618 9.793 1.00 0.00 C ATOM 969 CG HIS A 65 -0.925 -3.402 8.816 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.283 -3.533 7.481 1.00 0.00 N ATOM 971 CD2 HIS A 65 0.244 -4.107 8.962 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.345 -4.290 6.882 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.605 -4.664 7.741 1.00 0.00 N ATOM 0 H HIS A 65 -2.740 -0.998 11.395 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.035 -1.758 10.767 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.046 -3.253 10.630 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.676 -2.281 9.314 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.107 -3.129 7.035 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.798 -4.212 9.883 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.360 -4.561 5.837 1.00 0.00 H new ATOM 982 N PHE A 66 -1.431 0.497 8.881 1.00 0.00 N ATOM 983 CA PHE A 66 -1.152 1.429 7.751 1.00 0.00 C ATOM 984 C PHE A 66 -0.331 2.614 8.267 1.00 0.00 C ATOM 985 O PHE A 66 -0.107 3.581 7.567 1.00 0.00 O ATOM 986 CB PHE A 66 -2.475 1.944 7.179 1.00 0.00 C ATOM 987 CG PHE A 66 -3.518 0.850 7.232 1.00 0.00 C ATOM 988 CD1 PHE A 66 -4.851 1.175 7.511 1.00 0.00 C ATOM 989 CD2 PHE A 66 -3.156 -0.485 7.007 1.00 0.00 C ATOM 990 CE1 PHE A 66 -5.821 0.168 7.564 1.00 0.00 C ATOM 991 CE2 PHE A 66 -4.127 -1.492 7.060 1.00 0.00 C ATOM 992 CZ PHE A 66 -5.460 -1.165 7.339 1.00 0.00 C ATOM 0 H PHE A 66 -2.278 0.700 9.412 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.596 0.905 6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.814 2.810 7.747 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.333 2.274 6.150 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.131 2.203 7.685 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.128 -0.737 6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.849 0.420 7.779 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.848 -2.521 6.886 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.209 -1.942 7.380 1.00 0.00 H new ATOM 1002 N ARG A 67 0.110 2.550 9.494 1.00 0.00 N ATOM 1003 CA ARG A 67 0.905 3.674 10.066 1.00 0.00 C ATOM 1004 C ARG A 67 2.121 3.961 9.177 1.00 0.00 C ATOM 1005 O ARG A 67 2.488 5.101 8.969 1.00 0.00 O ATOM 1006 CB ARG A 67 1.379 3.290 11.474 1.00 0.00 C ATOM 1007 CG ARG A 67 2.087 4.473 12.145 1.00 0.00 C ATOM 1008 CD ARG A 67 1.053 5.432 12.747 1.00 0.00 C ATOM 1009 NE ARG A 67 1.757 6.572 13.397 1.00 0.00 N ATOM 1010 CZ ARG A 67 2.269 6.430 14.589 1.00 0.00 C ATOM 1011 NH1 ARG A 67 2.887 7.428 15.158 1.00 0.00 N ATOM 1012 NH2 ARG A 67 2.165 5.287 15.211 1.00 0.00 N ATOM 0 H ARG A 67 -0.047 1.765 10.127 1.00 0.00 H new ATOM 0 HA ARG A 67 0.283 4.568 10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.527 2.979 12.078 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.057 2.438 11.416 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.757 4.111 12.925 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.702 5.000 11.416 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.384 5.799 11.968 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.435 4.908 13.476 1.00 0.00 H new ATOM 0 HE ARG A 67 1.839 7.465 12.910 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.970 8.320 14.671 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.287 7.316 16.090 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.684 4.506 14.765 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.565 5.175 16.143 1.00 0.00 H new ATOM 1026 N SER A 68 2.756 2.943 8.658 1.00 0.00 N ATOM 1027 CA SER A 68 3.950 3.177 7.793 1.00 0.00 C ATOM 1028 C SER A 68 3.904 2.260 6.569 1.00 0.00 C ATOM 1029 O SER A 68 3.334 1.187 6.602 1.00 0.00 O ATOM 1030 CB SER A 68 5.219 2.889 8.597 1.00 0.00 C ATOM 1031 OG SER A 68 5.258 1.508 8.930 1.00 0.00 O ATOM 0 H SER A 68 2.501 1.965 8.795 1.00 0.00 H new ATOM 0 HA SER A 68 3.950 4.214 7.458 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.101 3.160 8.017 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.235 3.494 9.503 1.00 0.00 H new ATOM 0 HG SER A 68 5.979 1.347 9.574 1.00 0.00 H new ATOM 1037 N ILE A 69 4.507 2.676 5.486 1.00 0.00 N ATOM 1038 CA ILE A 69 4.512 1.844 4.256 1.00 0.00 C ATOM 1039 C ILE A 69 5.297 0.552 4.500 1.00 0.00 C ATOM 1040 O ILE A 69 4.953 -0.498 3.994 1.00 0.00 O ATOM 1041 CB ILE A 69 5.176 2.633 3.129 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.392 3.912 2.863 1.00 0.00 C ATOM 1043 CG2 ILE A 69 5.191 1.793 1.866 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.177 4.804 1.901 1.00 0.00 C ATOM 0 H ILE A 69 5.000 3.566 5.405 1.00 0.00 H new ATOM 0 HA ILE A 69 3.487 1.591 3.985 1.00 0.00 H new ATOM 0 HB ILE A 69 6.196 2.884 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.417 3.671 2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.210 4.441 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.665 2.355 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.751 0.875 2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.168 1.544 1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.615 5.718 1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.141 5.056 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.336 4.275 0.961 1.00 0.00 H new ATOM 1056 N ARG A 70 6.356 0.623 5.259 1.00 0.00 N ATOM 1057 CA ARG A 70 7.170 -0.599 5.518 1.00 0.00 C ATOM 1058 C ARG A 70 6.319 -1.657 6.224 1.00 0.00 C ATOM 1059 O ARG A 70 6.406 -2.832 5.926 1.00 0.00 O ATOM 1060 CB ARG A 70 8.364 -0.237 6.401 1.00 0.00 C ATOM 1061 CG ARG A 70 7.858 0.206 7.770 1.00 0.00 C ATOM 1062 CD ARG A 70 9.001 0.847 8.559 1.00 0.00 C ATOM 1063 NE ARG A 70 8.536 1.164 9.938 1.00 0.00 N ATOM 1064 CZ ARG A 70 8.327 0.201 10.793 1.00 0.00 C ATOM 1065 NH1 ARG A 70 7.921 0.479 12.002 1.00 0.00 N ATOM 1066 NH2 ARG A 70 8.525 -1.039 10.441 1.00 0.00 N ATOM 0 H ARG A 70 6.693 1.473 5.711 1.00 0.00 H new ATOM 0 HA ARG A 70 7.522 -1.000 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.028 -1.095 6.505 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.945 0.561 5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.040 0.917 7.654 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.461 -0.650 8.316 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.854 0.170 8.598 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.337 1.755 8.059 1.00 0.00 H new ATOM 0 HE ARG A 70 8.381 2.134 10.214 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.767 1.449 12.278 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.757 -0.274 12.671 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.843 -1.256 9.497 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.361 -1.791 11.110 1.00 0.00 H new ATOM 1080 N SER A 71 5.498 -1.257 7.155 1.00 0.00 N ATOM 1081 CA SER A 71 4.652 -2.249 7.869 1.00 0.00 C ATOM 1082 C SER A 71 3.767 -2.983 6.859 1.00 0.00 C ATOM 1083 O SER A 71 3.568 -4.179 6.946 1.00 0.00 O ATOM 1084 CB SER A 71 3.774 -1.522 8.884 1.00 0.00 C ATOM 1085 OG SER A 71 4.596 -0.732 9.734 1.00 0.00 O ATOM 0 H SER A 71 5.378 -0.288 7.451 1.00 0.00 H new ATOM 0 HA SER A 71 5.286 -2.970 8.385 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.050 -0.890 8.370 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.207 -2.242 9.474 1.00 0.00 H new ATOM 0 HG SER A 71 4.480 0.216 9.513 1.00 0.00 H new ATOM 1091 N ILE A 72 3.237 -2.275 5.900 1.00 0.00 N ATOM 1092 CA ILE A 72 2.371 -2.922 4.883 1.00 0.00 C ATOM 1093 C ILE A 72 3.200 -3.894 4.042 1.00 0.00 C ATOM 1094 O ILE A 72 2.753 -4.968 3.693 1.00 0.00 O ATOM 1095 CB ILE A 72 1.779 -1.842 3.981 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.962 -0.862 4.829 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.874 -2.492 2.942 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.493 0.303 3.955 1.00 0.00 C ATOM 0 H ILE A 72 3.369 -1.271 5.779 1.00 0.00 H new ATOM 0 HA ILE A 72 1.571 -3.473 5.377 1.00 0.00 H new ATOM 0 HB ILE A 72 2.583 -1.304 3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.103 -1.371 5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.566 -0.489 5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.450 -1.723 2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.455 -3.191 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.069 -3.028 3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.088 1.000 4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.359 0.818 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.127 -0.078 3.143 1.00 0.00 H new ATOM 1110 N ASP A 73 4.404 -3.520 3.708 1.00 0.00 N ATOM 1111 CA ASP A 73 5.264 -4.414 2.882 1.00 0.00 C ATOM 1112 C ASP A 73 5.458 -5.754 3.594 1.00 0.00 C ATOM 1113 O ASP A 73 5.478 -6.799 2.973 1.00 0.00 O ATOM 1114 CB ASP A 73 6.626 -3.752 2.670 1.00 0.00 C ATOM 1115 CG ASP A 73 7.440 -4.566 1.662 1.00 0.00 C ATOM 1116 OD1 ASP A 73 8.573 -4.194 1.407 1.00 0.00 O ATOM 1117 OD2 ASP A 73 6.915 -5.547 1.164 1.00 0.00 O ATOM 0 H ASP A 73 4.831 -2.632 3.972 1.00 0.00 H new ATOM 0 HA ASP A 73 4.783 -4.585 1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.494 -2.733 2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.161 -3.687 3.617 1.00 0.00 H new ATOM 1122 N ALA A 74 5.609 -5.735 4.889 1.00 0.00 N ATOM 1123 CA ALA A 74 5.811 -7.013 5.631 1.00 0.00 C ATOM 1124 C ALA A 74 4.564 -7.888 5.510 1.00 0.00 C ATOM 1125 O ALA A 74 4.650 -9.084 5.316 1.00 0.00 O ATOM 1126 CB ALA A 74 6.081 -6.709 7.106 1.00 0.00 C ATOM 0 H ALA A 74 5.602 -4.893 5.465 1.00 0.00 H new ATOM 0 HA ALA A 74 6.663 -7.544 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.229 -7.643 7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.976 -6.093 7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.231 -6.174 7.529 1.00 0.00 H new ATOM 1132 N PHE A 75 3.403 -7.307 5.625 1.00 0.00 N ATOM 1133 CA PHE A 75 2.157 -8.117 5.517 1.00 0.00 C ATOM 1134 C PHE A 75 2.056 -8.719 4.114 1.00 0.00 C ATOM 1135 O PHE A 75 1.808 -9.897 3.950 1.00 0.00 O ATOM 1136 CB PHE A 75 0.943 -7.229 5.777 1.00 0.00 C ATOM 1137 CG PHE A 75 -0.306 -8.077 5.779 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -0.682 -8.769 6.937 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -1.089 -8.172 4.622 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -1.839 -9.557 6.937 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -2.247 -8.960 4.623 1.00 0.00 C ATOM 1142 CZ PHE A 75 -2.622 -9.652 5.781 1.00 0.00 C ATOM 0 H PHE A 75 3.262 -6.310 5.789 1.00 0.00 H new ATOM 0 HA PHE A 75 2.185 -8.918 6.255 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.051 -6.718 6.734 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.871 -6.458 5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.079 -8.695 7.830 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.800 -7.638 3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.128 -10.092 7.830 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.851 -9.034 3.731 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.515 -10.259 5.782 1.00 0.00 H new ATOM 1152 N VAL A 76 2.246 -7.919 3.101 1.00 0.00 N ATOM 1153 CA VAL A 76 2.162 -8.439 1.715 1.00 0.00 C ATOM 1154 C VAL A 76 3.294 -9.439 1.468 1.00 0.00 C ATOM 1155 O VAL A 76 3.099 -10.470 0.857 1.00 0.00 O ATOM 1156 CB VAL A 76 2.290 -7.270 0.741 1.00 0.00 C ATOM 1157 CG1 VAL A 76 2.447 -7.808 -0.677 1.00 0.00 C ATOM 1158 CG2 VAL A 76 1.032 -6.402 0.820 1.00 0.00 C ATOM 0 H VAL A 76 2.456 -6.924 3.178 1.00 0.00 H new ATOM 0 HA VAL A 76 1.206 -8.942 1.568 1.00 0.00 H new ATOM 0 HB VAL A 76 3.162 -6.671 1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.539 -6.975 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.341 -8.429 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.574 -8.405 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.122 -5.567 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.160 -7.001 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.917 -6.019 1.834 1.00 0.00 H new ATOM 1168 N VAL A 77 4.475 -9.142 1.938 1.00 0.00 N ATOM 1169 CA VAL A 77 5.617 -10.068 1.730 1.00 0.00 C ATOM 1170 C VAL A 77 5.320 -11.414 2.394 1.00 0.00 C ATOM 1171 O VAL A 77 5.607 -12.463 1.852 1.00 0.00 O ATOM 1172 CB VAL A 77 6.867 -9.456 2.358 1.00 0.00 C ATOM 1173 CG1 VAL A 77 7.993 -10.483 2.347 1.00 0.00 C ATOM 1174 CG2 VAL A 77 7.292 -8.225 1.553 1.00 0.00 C ATOM 0 H VAL A 77 4.696 -8.293 2.459 1.00 0.00 H new ATOM 0 HA VAL A 77 5.774 -10.225 0.663 1.00 0.00 H new ATOM 0 HB VAL A 77 6.652 -9.162 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.886 -10.048 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.691 -11.360 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.208 -10.776 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.184 -7.788 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.508 -8.519 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.486 -7.491 1.558 1.00 0.00 H new ATOM 1184 N GLY A 78 4.754 -11.390 3.567 1.00 0.00 N ATOM 1185 CA GLY A 78 4.444 -12.661 4.279 1.00 0.00 C ATOM 1186 C GLY A 78 3.470 -13.514 3.459 1.00 0.00 C ATOM 1187 O GLY A 78 3.501 -14.727 3.521 1.00 0.00 O ATOM 0 H GLY A 78 4.491 -10.540 4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.364 -13.218 4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.011 -12.441 5.255 1.00 0.00 H new ATOM 1191 N ALA A 79 2.595 -12.900 2.708 1.00 0.00 N ATOM 1192 CA ALA A 79 1.615 -13.697 1.914 1.00 0.00 C ATOM 1193 C ALA A 79 2.048 -13.778 0.448 1.00 0.00 C ATOM 1194 O ALA A 79 2.095 -14.843 -0.132 1.00 0.00 O ATOM 1195 CB ALA A 79 0.238 -13.035 1.997 1.00 0.00 C ATOM 0 H ALA A 79 2.516 -11.888 2.610 1.00 0.00 H new ATOM 0 HA ALA A 79 1.571 -14.706 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.480 -13.615 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.084 -12.994 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.296 -12.024 1.595 1.00 0.00 H new ATOM 1201 N THR A 80 2.357 -12.663 -0.153 1.00 0.00 N ATOM 1202 CA THR A 80 2.781 -12.679 -1.585 1.00 0.00 C ATOM 1203 C THR A 80 4.080 -11.891 -1.744 1.00 0.00 C ATOM 1204 O THR A 80 4.406 -11.045 -0.939 1.00 0.00 O ATOM 1205 CB THR A 80 1.689 -12.040 -2.446 1.00 0.00 C ATOM 1206 OG1 THR A 80 1.708 -10.630 -2.261 1.00 0.00 O ATOM 1207 CG2 THR A 80 0.323 -12.591 -2.034 1.00 0.00 C ATOM 0 H THR A 80 2.335 -11.741 0.283 1.00 0.00 H new ATOM 0 HA THR A 80 2.941 -13.709 -1.904 1.00 0.00 H new ATOM 0 HB THR A 80 1.870 -12.273 -3.495 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.019 -10.217 -2.823 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.454 -12.135 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.309 -13.672 -2.175 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.139 -12.360 -0.985 1.00 0.00 H new ATOM 1215 N THR A 81 4.823 -12.158 -2.782 1.00 0.00 N ATOM 1216 CA THR A 81 6.096 -11.421 -2.995 1.00 0.00 C ATOM 1217 C THR A 81 6.225 -11.045 -4.476 1.00 0.00 C ATOM 1218 O THR A 81 6.794 -11.780 -5.260 1.00 0.00 O ATOM 1219 CB THR A 81 7.266 -12.316 -2.584 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.464 -11.828 -3.171 1.00 0.00 O ATOM 1221 CG2 THR A 81 7.007 -13.747 -3.056 1.00 0.00 C ATOM 0 H THR A 81 4.602 -12.856 -3.492 1.00 0.00 H new ATOM 0 HA THR A 81 6.104 -10.512 -2.393 1.00 0.00 H new ATOM 0 HB THR A 81 7.366 -12.308 -1.499 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.426 -11.951 -4.143 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.842 -14.384 -2.762 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.089 -14.120 -2.601 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.905 -13.759 -4.141 1.00 0.00 H new ATOM 1229 N PRO A 82 5.700 -9.907 -4.860 1.00 0.00 N ATOM 1230 CA PRO A 82 5.759 -9.428 -6.272 1.00 0.00 C ATOM 1231 C PRO A 82 7.199 -9.184 -6.741 1.00 0.00 C ATOM 1232 O PRO A 82 8.143 -9.439 -6.020 1.00 0.00 O ATOM 1233 CB PRO A 82 4.970 -8.113 -6.268 1.00 0.00 C ATOM 1234 CG PRO A 82 4.227 -8.072 -4.972 1.00 0.00 C ATOM 1235 CD PRO A 82 4.992 -8.958 -3.992 1.00 0.00 C ATOM 0 HA PRO A 82 5.349 -10.170 -6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.640 -7.258 -6.359 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.282 -8.070 -7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.160 -7.050 -4.598 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.206 -8.431 -5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.686 -8.377 -3.384 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.318 -9.470 -3.305 1.00 0.00 H new ATOM 1243 N PRO A 83 7.363 -8.689 -7.942 1.00 0.00 N ATOM 1244 CA PRO A 83 8.711 -8.402 -8.519 1.00 0.00 C ATOM 1245 C PRO A 83 9.479 -7.370 -7.690 1.00 0.00 C ATOM 1246 O PRO A 83 8.896 -6.521 -7.045 1.00 0.00 O ATOM 1247 CB PRO A 83 8.418 -7.845 -9.917 1.00 0.00 C ATOM 1248 CG PRO A 83 7.005 -8.222 -10.223 1.00 0.00 C ATOM 1249 CD PRO A 83 6.286 -8.348 -8.883 1.00 0.00 C ATOM 0 HA PRO A 83 9.336 -9.295 -8.536 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.547 -6.763 -9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.102 -8.264 -10.655 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.529 -7.466 -10.848 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.966 -9.162 -10.773 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.791 -7.418 -8.605 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.519 -9.122 -8.911 1.00 0.00 H new ATOM 1257 N VAL A 84 10.783 -7.438 -7.695 1.00 0.00 N ATOM 1258 CA VAL A 84 11.578 -6.460 -6.900 1.00 0.00 C ATOM 1259 C VAL A 84 12.091 -5.351 -7.818 1.00 0.00 C ATOM 1260 O VAL A 84 12.675 -5.606 -8.853 1.00 0.00 O ATOM 1261 CB VAL A 84 12.766 -7.177 -6.258 1.00 0.00 C ATOM 1262 CG1 VAL A 84 13.492 -6.220 -5.311 1.00 0.00 C ATOM 1263 CG2 VAL A 84 12.265 -8.392 -5.472 1.00 0.00 C ATOM 0 H VAL A 84 11.330 -8.126 -8.213 1.00 0.00 H new ATOM 0 HA VAL A 84 10.948 -6.026 -6.124 1.00 0.00 H new ATOM 0 HB VAL A 84 13.454 -7.506 -7.037 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.339 -6.733 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.850 -5.356 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.805 -5.888 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.112 -8.903 -5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.576 -8.063 -4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.750 -9.075 -6.147 1.00 0.00 H new ATOM 1273 N GLU A 85 11.878 -4.118 -7.445 1.00 0.00 N ATOM 1274 CA GLU A 85 12.352 -2.986 -8.288 1.00 0.00 C ATOM 1275 C GLU A 85 12.997 -1.925 -7.396 1.00 0.00 C ATOM 1276 O GLU A 85 12.745 -1.862 -6.209 1.00 0.00 O ATOM 1277 CB GLU A 85 11.164 -2.374 -9.035 1.00 0.00 C ATOM 1278 CG GLU A 85 10.526 -3.434 -9.935 1.00 0.00 C ATOM 1279 CD GLU A 85 9.389 -2.803 -10.739 1.00 0.00 C ATOM 1280 OE1 GLU A 85 9.044 -1.669 -10.451 1.00 0.00 O ATOM 1281 OE2 GLU A 85 8.881 -3.464 -11.630 1.00 0.00 O ATOM 0 H GLU A 85 11.394 -3.846 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 85 13.085 -3.349 -9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.430 -1.996 -8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.495 -1.525 -9.633 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.274 -3.852 -10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.145 -4.258 -9.331 1.00 0.00 H new ATOM 1288 N ALA A 86 13.826 -1.087 -7.956 1.00 0.00 N ATOM 1289 CA ALA A 86 14.481 -0.030 -7.135 1.00 0.00 C ATOM 1290 C ALA A 86 13.723 1.288 -7.307 1.00 0.00 C ATOM 1291 O ALA A 86 13.327 1.649 -8.398 1.00 0.00 O ATOM 1292 CB ALA A 86 15.929 0.150 -7.593 1.00 0.00 C ATOM 0 H ALA A 86 14.078 -1.089 -8.944 1.00 0.00 H new ATOM 0 HA ALA A 86 14.468 -0.324 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.407 0.923 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.468 -0.789 -7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.945 0.444 -8.642 1.00 0.00 H new ATOM 1298 N LYS A 87 13.517 2.011 -6.240 1.00 0.00 N ATOM 1299 CA LYS A 87 12.783 3.303 -6.346 1.00 0.00 C ATOM 1300 C LYS A 87 13.527 4.235 -7.306 1.00 0.00 C ATOM 1301 O LYS A 87 12.924 4.996 -8.038 1.00 0.00 O ATOM 1302 CB LYS A 87 12.694 3.955 -4.965 1.00 0.00 C ATOM 1303 CG LYS A 87 11.846 3.079 -4.041 1.00 0.00 C ATOM 1304 CD LYS A 87 11.653 3.786 -2.699 1.00 0.00 C ATOM 1305 CE LYS A 87 10.904 2.862 -1.737 1.00 0.00 C ATOM 1306 NZ LYS A 87 11.778 2.541 -0.574 1.00 0.00 N ATOM 0 H LYS A 87 13.825 1.763 -5.300 1.00 0.00 H new ATOM 0 HA LYS A 87 11.778 3.120 -6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.692 4.083 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.253 4.948 -5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.878 2.879 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.332 2.115 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.620 4.059 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.094 4.711 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.987 3.342 -1.395 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.612 1.946 -2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.194 2.197 0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.461 1.805 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.290 3.396 -0.278 1.00 0.00 H new ATOM 1320 N LEU A 88 14.830 4.182 -7.310 1.00 0.00 N ATOM 1321 CA LEU A 88 15.608 5.065 -8.224 1.00 0.00 C ATOM 1322 C LEU A 88 16.075 4.259 -9.437 1.00 0.00 C ATOM 1323 O LEU A 88 16.641 3.192 -9.303 1.00 0.00 O ATOM 1324 CB LEU A 88 16.825 5.622 -7.481 1.00 0.00 C ATOM 1325 CG LEU A 88 17.557 6.627 -8.375 1.00 0.00 C ATOM 1326 CD1 LEU A 88 16.697 7.881 -8.560 1.00 0.00 C ATOM 1327 CD2 LEU A 88 18.885 7.016 -7.721 1.00 0.00 C ATOM 0 H LEU A 88 15.390 3.566 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 88 14.977 5.889 -8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.509 6.105 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 88 17.497 4.810 -7.203 1.00 0.00 H new ATOM 0 HG LEU A 88 17.745 6.172 -9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.223 8.592 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 88 15.750 7.608 -9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 88 16.505 8.337 -7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 88 19.408 7.731 -8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 88 18.693 7.467 -6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 88 19.502 6.126 -7.593 1.00 0.00 H new ATOM 1339 N GLN A 89 15.841 4.761 -10.620 1.00 0.00 N ATOM 1340 CA GLN A 89 16.271 4.025 -11.845 1.00 0.00 C ATOM 1341 C GLN A 89 17.459 4.748 -12.483 1.00 0.00 C ATOM 1342 O GLN A 89 18.371 5.103 -11.755 1.00 0.00 O ATOM 1343 CB GLN A 89 15.110 3.974 -12.840 1.00 0.00 C ATOM 1344 CG GLN A 89 13.960 3.161 -12.244 1.00 0.00 C ATOM 1345 CD GLN A 89 12.782 3.151 -13.220 1.00 0.00 C ATOM 1346 OE1 GLN A 89 12.724 3.954 -14.129 1.00 0.00 O ATOM 1347 NE2 GLN A 89 11.833 2.267 -13.069 1.00 0.00 N ATOM 1348 OXT GLN A 89 17.436 4.932 -13.688 1.00 0.00 O ATOM 0 H GLN A 89 15.370 5.650 -10.791 1.00 0.00 H new ATOM 0 HA GLN A 89 16.565 3.010 -11.577 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.773 4.984 -13.073 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.440 3.524 -13.777 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.288 2.141 -12.043 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.652 3.591 -11.291 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.881 1.592 -12.306 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.043 2.251 -13.714 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O8 7V9 A 101 -7.470 -4.020 7.497 1.00 0.00 O HETATM 1359 P 7V9 A 101 -13.193 3.464 7.007 1.00 0.00 P HETATM 1360 C4 7V9 A 101 -10.127 -0.953 8.215 1.00 0.00 C HETATM 1361 C2 7V9 A 101 -10.647 1.374 8.967 1.00 0.00 C HETATM 1362 O1P 7V9 A 101 -13.329 2.524 5.870 1.00 0.00 O HETATM 1363 O2P 7V9 A 101 -14.374 4.216 7.486 1.00 0.00 O HETATM 1364 O3P 7V9 A 101 -12.569 2.658 8.255 1.00 0.00 O HETATM 1365 C1 7V9 A 101 -11.421 1.951 7.777 1.00 0.00 C HETATM 1366 CE1 7V9 A 101 -11.020 2.140 10.236 1.00 0.00 C HETATM 1367 CE2 7V9 A 101 -9.144 1.511 8.714 1.00 0.00 C HETATM 1368 C3 7V9 A 101 -10.998 -0.104 9.141 1.00 0.00 C HETATM 1369 O3 7V9 A 101 -10.759 -0.486 10.490 1.00 0.00 O HETATM 1370 O4 7V9 A 101 -9.993 -0.667 7.043 1.00 0.00 O HETATM 1371 N5 7V9 A 101 -9.429 -1.913 8.760 1.00 0.00 N HETATM 1372 C6 7V9 A 101 -9.899 -3.324 8.658 1.00 0.00 C HETATM 1373 C7 7V9 A 101 -9.835 -3.780 7.198 1.00 0.00 C HETATM 1374 C8 7V9 A 101 -8.379 -3.784 6.726 1.00 0.00 C HETATM 1375 N9 7V9 A 101 -8.165 -3.661 5.444 1.00 0.00 N HETATM 1376 C10 7V9 A 101 -6.770 -3.583 4.923 1.00 0.00 C HETATM 1377 C11 7V9 A 101 -6.471 -4.822 4.078 1.00 0.00 C HETATM 1378 S12 7V9 A 101 -4.686 -5.125 4.061 1.00 0.00 S HETATM 1379 C13 7V9 A 101 -4.197 -3.557 3.299 1.00 0.00 C HETATM 1380 O13 7V9 A 101 -3.619 -2.716 3.958 1.00 0.00 O HETATM 1381 C14 7V9 A 101 -3.585 -4.099 2.163 1.00 0.00 C HETATM 1382 C15 7V9 A 101 -2.207 -3.938 1.969 1.00 0.00 C HETATM 1383 N16 7V9 A 101 -1.651 -4.200 0.776 1.00 0.00 N HETATM 1384 C17 7V9 A 101 -2.391 -4.619 -0.262 1.00 0.00 C HETATM 1385 C18 7V9 A 101 -3.773 -4.796 -0.123 1.00 0.00 C HETATM 1386 C19 7V9 A 101 -4.368 -4.586 1.118 1.00 0.00 C