USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 695 hydrogens (21 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 -60:sc= 1.15 USER MOD Set 1.2: A 71 SER OG : rot 44:sc= 0.92 USER MOD Set 2.1: A 3 HIS : no HD1:sc= -5.21! C(o=-5.4!,f=-10!) USER MOD Set 2.2: A 81 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 1 MET CE :methyl 144:sc= -0.173 (180deg=-1) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.473 (180deg=-0.486) USER MOD Single : A 2 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.15) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= 0.734 F(o=-0.033,f=0.73) USER MOD Single : A 33 ASN : amide:sc= -8.22! C(o=-8.2!,f=-14!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -1.93 K(o=-1.9,f=-2.9!) USER MOD Single : A 80 THR OG1 : rot 160:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= -5.39! (180deg=-6.04!) USER MOD Single : A 89 GLN : amide:sc=-0.00146 K(o=-0.0015,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.194 13.106 0.664 1.00 0.00 N ATOM 2 CA MET A 1 0.578 12.045 1.638 1.00 0.00 C ATOM 3 C MET A 1 -0.516 11.901 2.694 1.00 0.00 C ATOM 4 O MET A 1 -0.267 11.497 3.813 1.00 0.00 O ATOM 5 CB MET A 1 1.896 12.426 2.312 1.00 0.00 C ATOM 6 CG MET A 1 3.015 12.400 1.274 1.00 0.00 C ATOM 7 SD MET A 1 4.614 12.618 2.099 1.00 0.00 S ATOM 8 CE MET A 1 4.699 10.993 2.895 1.00 0.00 C ATOM 0 H1 MET A 1 0.906 13.157 -0.092 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.734 12.880 0.252 1.00 0.00 H new ATOM 0 H3 MET A 1 0.141 14.023 1.152 1.00 0.00 H new ATOM 0 HA MET A 1 0.700 11.097 1.114 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.818 13.419 2.756 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.118 11.731 3.122 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.000 11.455 0.732 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.862 13.191 0.540 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.732 10.645 2.902 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.335 11.070 3.920 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.081 10.285 2.343 1.00 0.00 H new ATOM 20 N GLN A 2 -1.727 12.232 2.347 1.00 0.00 N ATOM 21 CA GLN A 2 -2.842 12.116 3.327 1.00 0.00 C ATOM 22 C GLN A 2 -2.947 10.671 3.822 1.00 0.00 C ATOM 23 O GLN A 2 -3.158 10.423 4.993 1.00 0.00 O ATOM 24 CB GLN A 2 -4.154 12.516 2.647 1.00 0.00 C ATOM 25 CG GLN A 2 -5.283 12.546 3.679 1.00 0.00 C ATOM 26 CD GLN A 2 -5.108 13.759 4.594 1.00 0.00 C ATOM 27 OE1 GLN A 2 -5.177 14.887 4.147 1.00 0.00 O ATOM 28 NE2 GLN A 2 -4.884 13.574 5.866 1.00 0.00 N ATOM 0 H GLN A 2 -1.994 12.579 1.426 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.650 12.774 4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.049 13.496 2.181 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.393 11.809 1.853 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.249 12.594 3.176 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.276 11.629 4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.826 12.627 6.241 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.767 14.376 6.485 1.00 0.00 H new ATOM 37 N HIS A 3 -2.807 9.719 2.938 1.00 0.00 N ATOM 38 CA HIS A 3 -2.903 8.289 3.351 1.00 0.00 C ATOM 39 C HIS A 3 -1.579 7.578 3.069 1.00 0.00 C ATOM 40 O HIS A 3 -1.456 6.385 3.254 1.00 0.00 O ATOM 41 CB HIS A 3 -4.020 7.610 2.557 1.00 0.00 C ATOM 42 CG HIS A 3 -5.313 8.335 2.798 1.00 0.00 C ATOM 43 ND1 HIS A 3 -5.700 9.428 2.036 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.317 8.140 3.713 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.891 9.846 2.502 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.309 9.094 3.522 1.00 0.00 N ATOM 0 H HIS A 3 -2.630 9.871 1.945 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.121 8.235 4.418 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.780 7.614 1.494 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.113 6.567 2.858 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.334 7.365 4.465 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.440 10.685 2.101 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.175 9.198 4.051 1.00 0.00 H new ATOM 55 N ALA A 4 -0.589 8.296 2.618 1.00 0.00 N ATOM 56 CA ALA A 4 0.719 7.645 2.319 1.00 0.00 C ATOM 57 C ALA A 4 1.246 6.948 3.574 1.00 0.00 C ATOM 58 O ALA A 4 1.823 5.881 3.503 1.00 0.00 O ATOM 59 CB ALA A 4 1.724 8.704 1.866 1.00 0.00 C ATOM 0 H ALA A 4 -0.627 9.300 2.444 1.00 0.00 H new ATOM 0 HA ALA A 4 0.582 6.909 1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.680 8.228 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.352 9.199 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.858 9.441 2.658 1.00 0.00 H new ATOM 65 N SER A 5 1.061 7.540 4.722 1.00 0.00 N ATOM 66 CA SER A 5 1.562 6.898 5.969 1.00 0.00 C ATOM 67 C SER A 5 0.868 5.550 6.171 1.00 0.00 C ATOM 68 O SER A 5 1.494 4.564 6.503 1.00 0.00 O ATOM 69 CB SER A 5 1.272 7.807 7.164 1.00 0.00 C ATOM 70 OG SER A 5 1.820 9.095 6.919 1.00 0.00 O ATOM 0 H SER A 5 0.588 8.434 4.850 1.00 0.00 H new ATOM 0 HA SER A 5 2.637 6.740 5.885 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.197 7.882 7.326 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.702 7.383 8.071 1.00 0.00 H new ATOM 0 HG SER A 5 1.634 9.680 7.683 1.00 0.00 H new ATOM 76 N VAL A 6 -0.417 5.495 5.964 1.00 0.00 N ATOM 77 CA VAL A 6 -1.139 4.204 6.136 1.00 0.00 C ATOM 78 C VAL A 6 -0.642 3.216 5.086 1.00 0.00 C ATOM 79 O VAL A 6 -0.466 2.048 5.354 1.00 0.00 O ATOM 80 CB VAL A 6 -2.640 4.420 5.962 1.00 0.00 C ATOM 81 CG1 VAL A 6 -3.354 3.067 5.957 1.00 0.00 C ATOM 82 CG2 VAL A 6 -3.172 5.273 7.118 1.00 0.00 C ATOM 0 H VAL A 6 -0.998 6.285 5.684 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.951 3.811 7.135 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.825 4.932 5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.426 3.222 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.977 2.460 5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.168 2.554 6.901 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.244 5.427 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.986 4.762 8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.665 6.238 7.122 1.00 0.00 H new ATOM 92 N ILE A 7 -0.414 3.679 3.890 1.00 0.00 N ATOM 93 CA ILE A 7 0.077 2.766 2.823 1.00 0.00 C ATOM 94 C ILE A 7 1.406 2.149 3.257 1.00 0.00 C ATOM 95 O ILE A 7 1.591 0.951 3.206 1.00 0.00 O ATOM 96 CB ILE A 7 0.274 3.559 1.534 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.080 4.090 1.058 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.871 2.651 0.458 1.00 0.00 C ATOM 99 CD1 ILE A 7 -0.866 5.115 -0.055 1.00 0.00 C ATOM 0 H ILE A 7 -0.546 4.650 3.605 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.650 1.972 2.653 1.00 0.00 H new ATOM 0 HB ILE A 7 0.952 4.392 1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.697 3.268 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.615 4.548 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.011 3.220 -0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.833 2.268 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.195 1.817 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.831 5.492 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.265 5.942 0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.349 4.643 -0.890 1.00 0.00 H new ATOM 111 N ALA A 8 2.330 2.959 3.694 1.00 0.00 N ATOM 112 CA ALA A 8 3.644 2.416 4.141 1.00 0.00 C ATOM 113 C ALA A 8 3.421 1.513 5.351 1.00 0.00 C ATOM 114 O ALA A 8 3.906 0.402 5.414 1.00 0.00 O ATOM 115 CB ALA A 8 4.566 3.571 4.535 1.00 0.00 C ATOM 0 H ALA A 8 2.233 3.972 3.761 1.00 0.00 H new ATOM 0 HA ALA A 8 4.102 1.847 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.527 3.174 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.717 4.225 3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.112 4.138 5.348 1.00 0.00 H new ATOM 121 N GLN A 9 2.680 1.986 6.309 1.00 0.00 N ATOM 122 CA GLN A 9 2.404 1.171 7.521 1.00 0.00 C ATOM 123 C GLN A 9 1.628 -0.088 7.126 1.00 0.00 C ATOM 124 O GLN A 9 1.850 -1.160 7.650 1.00 0.00 O ATOM 125 CB GLN A 9 1.562 2.000 8.494 1.00 0.00 C ATOM 126 CG GLN A 9 1.307 1.199 9.772 1.00 0.00 C ATOM 127 CD GLN A 9 -0.191 1.198 10.078 1.00 0.00 C ATOM 128 OE1 GLN A 9 -1.001 0.547 9.287 1.00 0.00 O flip ATOM 129 NE2 GLN A 9 -0.628 1.795 11.041 1.00 0.00 N flip ATOM 0 H GLN A 9 2.250 2.911 6.305 1.00 0.00 H new ATOM 0 HA GLN A 9 3.343 0.883 7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.077 2.930 8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.614 2.271 8.029 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.666 0.177 9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.859 1.635 10.604 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.007 2.303 11.657 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.630 1.789 11.234 1.00 0.00 H new ATOM 138 N PHE A 10 0.708 0.047 6.216 1.00 0.00 N ATOM 139 CA PHE A 10 -0.110 -1.124 5.790 1.00 0.00 C ATOM 140 C PHE A 10 0.762 -2.150 5.061 1.00 0.00 C ATOM 141 O PHE A 10 0.761 -3.321 5.387 1.00 0.00 O ATOM 142 CB PHE A 10 -1.213 -0.628 4.851 1.00 0.00 C ATOM 143 CG PHE A 10 -2.161 -1.753 4.525 1.00 0.00 C ATOM 144 CD1 PHE A 10 -3.224 -2.042 5.389 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.988 -2.498 3.353 1.00 0.00 C ATOM 146 CE1 PHE A 10 -4.114 -3.075 5.082 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.878 -3.534 3.047 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.941 -3.821 3.911 1.00 0.00 C ATOM 0 H PHE A 10 0.484 0.923 5.744 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.544 -1.604 6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.757 0.193 5.318 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.772 -0.237 3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.356 -1.466 6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.169 -2.274 2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.935 -3.297 5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.744 -4.112 2.144 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.629 -4.619 3.674 1.00 0.00 H new ATOM 158 N VAL A 11 1.498 -1.726 4.073 1.00 0.00 N ATOM 159 CA VAL A 11 2.359 -2.681 3.321 1.00 0.00 C ATOM 160 C VAL A 11 3.567 -3.093 4.168 1.00 0.00 C ATOM 161 O VAL A 11 3.972 -4.239 4.168 1.00 0.00 O ATOM 162 CB VAL A 11 2.840 -2.018 2.029 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.633 -1.557 1.209 1.00 0.00 C ATOM 164 CG2 VAL A 11 3.719 -0.811 2.365 1.00 0.00 C ATOM 0 H VAL A 11 1.541 -0.758 3.753 1.00 0.00 H new ATOM 0 HA VAL A 11 1.778 -3.573 3.085 1.00 0.00 H new ATOM 0 HB VAL A 11 3.419 -2.737 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.977 -1.085 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.009 -2.417 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.051 -0.840 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.060 -0.341 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.143 -0.092 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.581 -1.139 2.945 1.00 0.00 H new ATOM 174 N VAL A 12 4.153 -2.170 4.880 1.00 0.00 N ATOM 175 CA VAL A 12 5.342 -2.512 5.712 1.00 0.00 C ATOM 176 C VAL A 12 4.944 -3.492 6.818 1.00 0.00 C ATOM 177 O VAL A 12 5.696 -4.378 7.171 1.00 0.00 O ATOM 178 CB VAL A 12 5.913 -1.239 6.337 1.00 0.00 C ATOM 179 CG1 VAL A 12 7.115 -1.590 7.216 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.359 -0.283 5.227 1.00 0.00 C ATOM 0 H VAL A 12 3.860 -1.194 4.922 1.00 0.00 H new ATOM 0 HA VAL A 12 6.097 -2.978 5.079 1.00 0.00 H new ATOM 0 HB VAL A 12 5.146 -0.762 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.519 -0.680 7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.801 -2.271 8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.883 -2.069 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.766 0.625 5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.124 -0.764 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.504 -0.029 4.601 1.00 0.00 H new ATOM 190 N GLU A 13 3.774 -3.337 7.375 1.00 0.00 N ATOM 191 CA GLU A 13 3.340 -4.254 8.469 1.00 0.00 C ATOM 192 C GLU A 13 3.398 -5.704 7.990 1.00 0.00 C ATOM 193 O GLU A 13 3.697 -6.605 8.747 1.00 0.00 O ATOM 194 CB GLU A 13 1.909 -3.915 8.885 1.00 0.00 C ATOM 195 CG GLU A 13 1.505 -4.779 10.078 1.00 0.00 C ATOM 196 CD GLU A 13 0.040 -4.514 10.429 1.00 0.00 C ATOM 197 OE1 GLU A 13 -0.580 -3.722 9.739 1.00 0.00 O ATOM 198 OE2 GLU A 13 -0.437 -5.109 11.381 1.00 0.00 O ATOM 0 H GLU A 13 3.099 -2.615 7.120 1.00 0.00 H new ATOM 0 HA GLU A 13 4.008 -4.130 9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.836 -2.859 9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.227 -4.085 8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.648 -5.833 9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.141 -4.555 10.934 1.00 0.00 H new ATOM 205 N GLU A 14 3.111 -5.937 6.742 1.00 0.00 N ATOM 206 CA GLU A 14 3.150 -7.332 6.222 1.00 0.00 C ATOM 207 C GLU A 14 4.589 -7.856 6.248 1.00 0.00 C ATOM 208 O GLU A 14 4.825 -9.036 6.419 1.00 0.00 O ATOM 209 CB GLU A 14 2.620 -7.354 4.787 1.00 0.00 C ATOM 210 CG GLU A 14 1.138 -6.978 4.784 1.00 0.00 C ATOM 211 CD GLU A 14 0.593 -7.061 3.357 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.389 -7.227 2.448 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.613 -6.957 3.198 1.00 0.00 O ATOM 0 H GLU A 14 2.851 -5.225 6.060 1.00 0.00 H new ATOM 0 HA GLU A 14 2.527 -7.969 6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.184 -6.656 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.755 -8.345 4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.580 -7.649 5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.007 -5.970 5.177 1.00 0.00 H new ATOM 220 N PHE A 15 5.554 -6.991 6.076 1.00 0.00 N ATOM 221 CA PHE A 15 6.974 -7.450 6.086 1.00 0.00 C ATOM 222 C PHE A 15 7.835 -6.462 6.883 1.00 0.00 C ATOM 223 O PHE A 15 8.922 -6.104 6.472 1.00 0.00 O ATOM 224 CB PHE A 15 7.491 -7.529 4.647 1.00 0.00 C ATOM 225 CG PHE A 15 6.322 -7.581 3.696 1.00 0.00 C ATOM 226 CD1 PHE A 15 5.847 -6.402 3.112 1.00 0.00 C ATOM 227 CD2 PHE A 15 5.712 -8.806 3.400 1.00 0.00 C ATOM 228 CE1 PHE A 15 4.762 -6.445 2.231 1.00 0.00 C ATOM 229 CE2 PHE A 15 4.626 -8.850 2.518 1.00 0.00 C ATOM 230 CZ PHE A 15 4.150 -7.669 1.933 1.00 0.00 C ATOM 0 H PHE A 15 5.421 -5.990 5.930 1.00 0.00 H new ATOM 0 HA PHE A 15 7.031 -8.433 6.552 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.116 -6.664 4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.116 -8.413 4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.319 -5.458 3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.079 -9.716 3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.396 -5.534 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.155 -9.794 2.288 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.312 -7.703 1.253 1.00 0.00 H new ATOM 240 N LEU A 16 7.367 -6.011 8.016 1.00 0.00 N ATOM 241 CA LEU A 16 8.176 -5.044 8.810 1.00 0.00 C ATOM 242 C LEU A 16 9.258 -5.789 9.603 1.00 0.00 C ATOM 243 O LEU A 16 8.990 -6.796 10.225 1.00 0.00 O ATOM 244 CB LEU A 16 7.262 -4.255 9.771 1.00 0.00 C ATOM 245 CG LEU A 16 7.221 -4.874 11.180 1.00 0.00 C ATOM 246 CD1 LEU A 16 6.302 -4.031 12.064 1.00 0.00 C ATOM 247 CD2 LEU A 16 6.673 -6.304 11.125 1.00 0.00 C ATOM 0 H LEU A 16 6.468 -6.268 8.423 1.00 0.00 H new ATOM 0 HA LEU A 16 8.659 -4.344 8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.613 -3.225 9.839 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.252 -4.221 9.362 1.00 0.00 H new ATOM 0 HG LEU A 16 8.233 -4.896 11.585 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.266 -4.461 13.065 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.685 -3.012 12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.299 -4.018 11.638 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.652 -6.724 12.130 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.663 -6.291 10.716 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.314 -6.915 10.490 1.00 0.00 H new ATOM 259 N PRO A 17 10.470 -5.285 9.612 1.00 0.00 N ATOM 260 CA PRO A 17 11.579 -5.907 10.380 1.00 0.00 C ATOM 261 C PRO A 17 11.456 -5.557 11.868 1.00 0.00 C ATOM 262 O PRO A 17 10.372 -5.325 12.365 1.00 0.00 O ATOM 263 CB PRO A 17 12.829 -5.271 9.767 1.00 0.00 C ATOM 264 CG PRO A 17 12.384 -3.923 9.313 1.00 0.00 C ATOM 265 CD PRO A 17 10.925 -4.075 8.895 1.00 0.00 C ATOM 0 HA PRO A 17 11.589 -6.996 10.326 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.634 -5.197 10.498 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.207 -5.864 8.935 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.485 -3.190 10.113 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.993 -3.572 8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.337 -3.201 9.175 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.829 -4.191 7.815 1.00 0.00 H new ATOM 273 N ASP A 18 12.543 -5.495 12.578 1.00 0.00 N ATOM 274 CA ASP A 18 12.460 -5.139 14.016 1.00 0.00 C ATOM 275 C ASP A 18 12.292 -3.622 14.135 1.00 0.00 C ATOM 276 O ASP A 18 12.420 -3.053 15.201 1.00 0.00 O ATOM 277 CB ASP A 18 13.745 -5.571 14.717 1.00 0.00 C ATOM 278 CG ASP A 18 13.829 -7.098 14.736 1.00 0.00 C ATOM 279 OD1 ASP A 18 12.832 -7.731 14.431 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.891 -7.609 15.056 1.00 0.00 O ATOM 0 H ASP A 18 13.483 -5.675 12.226 1.00 0.00 H new ATOM 0 HA ASP A 18 11.612 -5.642 14.481 1.00 0.00 H new ATOM 0 HB2 ASP A 18 14.610 -5.155 14.201 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.764 -5.183 15.735 1.00 0.00 H new ATOM 285 N VAL A 19 12.016 -2.964 13.037 1.00 0.00 N ATOM 286 CA VAL A 19 11.848 -1.481 13.067 1.00 0.00 C ATOM 287 C VAL A 19 10.399 -1.113 12.745 1.00 0.00 C ATOM 288 O VAL A 19 9.803 -1.648 11.832 1.00 0.00 O ATOM 289 CB VAL A 19 12.758 -0.852 12.012 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.727 0.671 12.149 1.00 0.00 C ATOM 291 CG2 VAL A 19 14.191 -1.355 12.206 1.00 0.00 C ATOM 0 H VAL A 19 11.900 -3.393 12.119 1.00 0.00 H new ATOM 0 HA VAL A 19 12.106 -1.113 14.060 1.00 0.00 H new ATOM 0 HB VAL A 19 12.407 -1.132 11.019 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.376 1.117 11.396 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.707 1.028 12.007 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.075 0.954 13.142 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.839 -0.906 11.453 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.543 -1.078 13.200 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.213 -2.440 12.103 1.00 0.00 H new ATOM 301 N ALA A 20 9.833 -0.194 13.476 1.00 0.00 N ATOM 302 CA ALA A 20 8.430 0.216 13.193 1.00 0.00 C ATOM 303 C ALA A 20 8.422 1.109 11.941 1.00 0.00 C ATOM 304 O ALA A 20 9.304 1.927 11.768 1.00 0.00 O ATOM 305 CB ALA A 20 7.880 1.005 14.383 1.00 0.00 C ATOM 0 H ALA A 20 10.280 0.290 14.255 1.00 0.00 H new ATOM 0 HA ALA A 20 7.810 -0.665 13.028 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.853 1.306 14.177 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.903 0.380 15.276 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.492 1.892 14.545 1.00 0.00 H new ATOM 311 N PRO A 21 7.445 0.975 11.070 1.00 0.00 N ATOM 312 CA PRO A 21 7.370 1.813 9.837 1.00 0.00 C ATOM 313 C PRO A 21 7.565 3.302 10.143 1.00 0.00 C ATOM 314 O PRO A 21 8.038 4.058 9.318 1.00 0.00 O ATOM 315 CB PRO A 21 5.957 1.568 9.309 1.00 0.00 C ATOM 316 CG PRO A 21 5.546 0.240 9.851 1.00 0.00 C ATOM 317 CD PRO A 21 6.323 0.021 11.151 1.00 0.00 C ATOM 0 HA PRO A 21 8.152 1.551 9.125 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.275 2.353 9.637 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.941 1.568 8.219 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.472 0.216 10.036 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.764 -0.552 9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.700 0.213 12.024 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.679 -1.006 11.233 1.00 0.00 H new ATOM 325 N ALA A 22 7.209 3.723 11.324 1.00 0.00 N ATOM 326 CA ALA A 22 7.379 5.159 11.690 1.00 0.00 C ATOM 327 C ALA A 22 8.869 5.501 11.716 1.00 0.00 C ATOM 328 O ALA A 22 9.261 6.638 11.542 1.00 0.00 O ATOM 329 CB ALA A 22 6.775 5.406 13.073 1.00 0.00 C ATOM 0 H ALA A 22 6.807 3.135 12.054 1.00 0.00 H new ATOM 0 HA ALA A 22 6.873 5.786 10.956 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.899 6.455 13.342 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.714 5.158 13.056 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.282 4.781 13.808 1.00 0.00 H new ATOM 335 N ASP A 23 9.700 4.521 11.929 1.00 0.00 N ATOM 336 CA ASP A 23 11.167 4.774 11.966 1.00 0.00 C ATOM 337 C ASP A 23 11.770 4.387 10.618 1.00 0.00 C ATOM 338 O ASP A 23 12.970 4.411 10.430 1.00 0.00 O ATOM 339 CB ASP A 23 11.805 3.936 13.076 1.00 0.00 C ATOM 340 CG ASP A 23 11.317 4.435 14.437 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.540 3.741 15.415 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.728 5.503 14.478 1.00 0.00 O ATOM 0 H ASP A 23 9.425 3.550 12.080 1.00 0.00 H new ATOM 0 HA ASP A 23 11.355 5.829 12.164 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.545 2.885 12.948 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.891 4.005 13.020 1.00 0.00 H new ATOM 347 N VAL A 24 10.940 4.034 9.678 1.00 0.00 N ATOM 348 CA VAL A 24 11.449 3.649 8.336 1.00 0.00 C ATOM 349 C VAL A 24 11.200 4.804 7.370 1.00 0.00 C ATOM 350 O VAL A 24 10.151 5.416 7.378 1.00 0.00 O ATOM 351 CB VAL A 24 10.712 2.401 7.845 1.00 0.00 C ATOM 352 CG1 VAL A 24 11.309 1.947 6.512 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.863 1.282 8.878 1.00 0.00 C ATOM 0 H VAL A 24 9.926 3.996 9.783 1.00 0.00 H new ATOM 0 HA VAL A 24 12.516 3.433 8.391 1.00 0.00 H new ATOM 0 HB VAL A 24 9.655 2.632 7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.784 1.058 6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.204 2.744 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.365 1.715 6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.339 0.392 8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.920 1.051 9.012 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.438 1.605 9.829 1.00 0.00 H new ATOM 363 N ASP A 25 12.156 5.117 6.545 1.00 0.00 N ATOM 364 CA ASP A 25 11.965 6.245 5.594 1.00 0.00 C ATOM 365 C ASP A 25 10.881 5.881 4.579 1.00 0.00 C ATOM 366 O ASP A 25 11.141 5.236 3.582 1.00 0.00 O ATOM 367 CB ASP A 25 13.278 6.521 4.859 1.00 0.00 C ATOM 368 CG ASP A 25 14.319 7.043 5.852 1.00 0.00 C ATOM 369 OD1 ASP A 25 13.934 7.390 6.956 1.00 0.00 O ATOM 370 OD2 ASP A 25 15.483 7.086 5.491 1.00 0.00 O ATOM 0 H ASP A 25 13.058 4.644 6.487 1.00 0.00 H new ATOM 0 HA ASP A 25 11.662 7.135 6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.639 5.609 4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.117 7.252 4.067 1.00 0.00 H new ATOM 375 N VAL A 26 9.666 6.295 4.822 1.00 0.00 N ATOM 376 CA VAL A 26 8.567 5.978 3.864 1.00 0.00 C ATOM 377 C VAL A 26 8.887 6.591 2.497 1.00 0.00 C ATOM 378 O VAL A 26 8.090 6.538 1.582 1.00 0.00 O ATOM 379 CB VAL A 26 7.254 6.559 4.389 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.004 6.056 5.811 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.341 8.086 4.398 1.00 0.00 C ATOM 0 H VAL A 26 9.387 6.837 5.640 1.00 0.00 H new ATOM 0 HA VAL A 26 8.473 4.897 3.763 1.00 0.00 H new ATOM 0 HB VAL A 26 6.434 6.244 3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.068 6.471 6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.942 4.968 5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.823 6.370 6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.405 8.502 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.161 8.400 5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.518 8.446 3.385 1.00 0.00 H new ATOM 391 N ASP A 27 10.055 7.156 2.348 1.00 0.00 N ATOM 392 CA ASP A 27 10.434 7.752 1.038 1.00 0.00 C ATOM 393 C ASP A 27 11.208 6.708 0.233 1.00 0.00 C ATOM 394 O ASP A 27 11.762 6.991 -0.811 1.00 0.00 O ATOM 395 CB ASP A 27 11.316 8.981 1.269 1.00 0.00 C ATOM 396 CG ASP A 27 10.497 10.076 1.954 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.285 9.945 1.994 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.096 11.028 2.427 1.00 0.00 O ATOM 0 H ASP A 27 10.763 7.230 3.079 1.00 0.00 H new ATOM 0 HA ASP A 27 9.540 8.055 0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.174 8.715 1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.707 9.345 0.319 1.00 0.00 H new ATOM 403 N LEU A 28 11.248 5.499 0.722 1.00 0.00 N ATOM 404 CA LEU A 28 11.982 4.417 0.009 1.00 0.00 C ATOM 405 C LEU A 28 11.042 3.731 -0.974 1.00 0.00 C ATOM 406 O LEU A 28 9.895 3.470 -0.672 1.00 0.00 O ATOM 407 CB LEU A 28 12.479 3.388 1.025 1.00 0.00 C ATOM 408 CG LEU A 28 13.357 2.344 0.325 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.791 2.866 0.221 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.340 1.047 1.135 1.00 0.00 C ATOM 0 H LEU A 28 10.800 5.213 1.592 1.00 0.00 H new ATOM 0 HA LEU A 28 12.829 4.845 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.047 3.885 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.631 2.900 1.505 1.00 0.00 H new ATOM 0 HG LEU A 28 12.971 2.154 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.414 2.123 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.800 3.791 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.182 3.056 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.963 0.301 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.727 1.238 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.318 0.676 1.206 1.00 0.00 H new ATOM 422 N ASP A 29 11.520 3.425 -2.145 1.00 0.00 N ATOM 423 CA ASP A 29 10.646 2.743 -3.130 1.00 0.00 C ATOM 424 C ASP A 29 10.253 1.384 -2.560 1.00 0.00 C ATOM 425 O ASP A 29 11.091 0.564 -2.243 1.00 0.00 O ATOM 426 CB ASP A 29 11.401 2.553 -4.448 1.00 0.00 C ATOM 427 CG ASP A 29 11.681 3.918 -5.077 1.00 0.00 C ATOM 428 OD1 ASP A 29 12.478 3.972 -5.999 1.00 0.00 O ATOM 429 OD2 ASP A 29 11.094 4.889 -4.627 1.00 0.00 O ATOM 0 H ASP A 29 12.471 3.617 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 29 9.756 3.342 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.337 2.024 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.813 1.940 -5.131 1.00 0.00 H new ATOM 434 N LEU A 30 8.983 1.144 -2.412 1.00 0.00 N ATOM 435 CA LEU A 30 8.534 -0.157 -1.848 1.00 0.00 C ATOM 436 C LEU A 30 8.797 -1.269 -2.864 1.00 0.00 C ATOM 437 O LEU A 30 8.449 -2.413 -2.651 1.00 0.00 O ATOM 438 CB LEU A 30 7.036 -0.086 -1.546 1.00 0.00 C ATOM 439 CG LEU A 30 6.295 0.375 -2.798 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.056 -0.496 -3.011 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.870 1.834 -2.633 1.00 0.00 C ATOM 0 H LEU A 30 8.235 1.793 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 30 9.082 -0.367 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.669 -1.063 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.851 0.605 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 30 6.954 0.284 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.528 -0.165 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.359 -1.536 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.397 -0.408 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.341 2.162 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.213 1.926 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.753 2.456 -2.485 1.00 0.00 H new ATOM 453 N VAL A 31 9.402 -0.941 -3.971 1.00 0.00 N ATOM 454 CA VAL A 31 9.676 -1.979 -5.003 1.00 0.00 C ATOM 455 C VAL A 31 10.437 -3.144 -4.368 1.00 0.00 C ATOM 456 O VAL A 31 10.233 -4.290 -4.714 1.00 0.00 O ATOM 457 CB VAL A 31 10.514 -1.372 -6.129 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.960 -1.207 -5.660 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.477 -2.299 -7.346 1.00 0.00 C ATOM 0 H VAL A 31 9.718 -0.000 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 31 8.733 -2.343 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 31 10.107 -0.397 -6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.556 -0.774 -6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.988 -0.548 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.368 -2.181 -5.390 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.074 -1.868 -8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.884 -3.273 -7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.447 -2.417 -7.682 1.00 0.00 H new ATOM 469 N ASP A 32 11.308 -2.864 -3.439 1.00 0.00 N ATOM 470 CA ASP A 32 12.067 -3.968 -2.784 1.00 0.00 C ATOM 471 C ASP A 32 11.067 -4.947 -2.174 1.00 0.00 C ATOM 472 O ASP A 32 11.227 -6.150 -2.249 1.00 0.00 O ATOM 473 CB ASP A 32 12.963 -3.394 -1.684 1.00 0.00 C ATOM 474 CG ASP A 32 14.063 -2.537 -2.315 1.00 0.00 C ATOM 475 OD1 ASP A 32 14.221 -2.607 -3.522 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.727 -1.826 -1.579 1.00 0.00 O ATOM 0 H ASP A 32 11.527 -1.925 -3.106 1.00 0.00 H new ATOM 0 HA ASP A 32 12.691 -4.479 -3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.370 -2.793 -0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.406 -4.203 -1.103 1.00 0.00 H new ATOM 481 N ASN A 33 10.024 -4.432 -1.590 1.00 0.00 N ATOM 482 CA ASN A 33 8.986 -5.308 -0.990 1.00 0.00 C ATOM 483 C ASN A 33 7.913 -5.582 -2.044 1.00 0.00 C ATOM 484 O ASN A 33 6.819 -6.017 -1.743 1.00 0.00 O ATOM 485 CB ASN A 33 8.373 -4.624 0.237 1.00 0.00 C ATOM 486 CG ASN A 33 7.639 -3.354 -0.184 1.00 0.00 C ATOM 487 OD1 ASN A 33 6.939 -3.340 -1.177 1.00 0.00 O ATOM 488 ND2 ASN A 33 7.771 -2.275 0.541 1.00 0.00 N ATOM 0 H ASN A 33 9.846 -3.432 -1.502 1.00 0.00 H new ATOM 0 HA ASN A 33 9.429 -6.250 -0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.683 -5.304 0.735 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.155 -4.380 0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.286 -1.419 0.274 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.359 -2.289 1.374 1.00 0.00 H new ATOM 495 N GLY A 34 8.232 -5.314 -3.285 1.00 0.00 N ATOM 496 CA GLY A 34 7.260 -5.536 -4.396 1.00 0.00 C ATOM 497 C GLY A 34 6.532 -6.867 -4.201 1.00 0.00 C ATOM 498 O GLY A 34 5.529 -7.131 -4.830 1.00 0.00 O ATOM 0 H GLY A 34 9.137 -4.946 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.539 -4.719 -4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.783 -5.536 -5.352 1.00 0.00 H new ATOM 502 N VAL A 35 7.020 -7.707 -3.335 1.00 0.00 N ATOM 503 CA VAL A 35 6.339 -9.010 -3.111 1.00 0.00 C ATOM 504 C VAL A 35 4.852 -8.743 -2.878 1.00 0.00 C ATOM 505 O VAL A 35 4.001 -9.525 -3.250 1.00 0.00 O ATOM 506 CB VAL A 35 6.936 -9.690 -1.875 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.074 -10.891 -1.481 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.356 -10.164 -2.189 1.00 0.00 C ATOM 0 H VAL A 35 7.857 -7.549 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 35 6.473 -9.659 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 35 6.963 -8.978 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.501 -11.373 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.062 -10.554 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.043 -11.603 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.781 -10.648 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.328 -10.874 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.972 -9.309 -2.466 1.00 0.00 H new ATOM 518 N ILE A 36 4.539 -7.636 -2.267 1.00 0.00 N ATOM 519 CA ILE A 36 3.111 -7.300 -2.006 1.00 0.00 C ATOM 520 C ILE A 36 2.408 -6.962 -3.322 1.00 0.00 C ATOM 521 O ILE A 36 1.204 -7.063 -3.436 1.00 0.00 O ATOM 522 CB ILE A 36 3.047 -6.070 -1.104 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.662 -5.985 -0.465 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.293 -4.816 -1.944 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.570 -4.724 0.398 1.00 0.00 C ATOM 0 H ILE A 36 5.213 -6.946 -1.935 1.00 0.00 H new ATOM 0 HA ILE A 36 2.625 -8.153 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 36 3.806 -6.145 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.894 -5.965 -1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.477 -6.869 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.248 -3.935 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.277 -4.877 -2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.529 -4.741 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.581 -4.666 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.328 -4.763 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.736 -3.844 -0.224 1.00 0.00 H new ATOM 537 N ASP A 37 3.148 -6.535 -4.302 1.00 0.00 N ATOM 538 CA ASP A 37 2.526 -6.155 -5.604 1.00 0.00 C ATOM 539 C ASP A 37 1.824 -7.351 -6.254 1.00 0.00 C ATOM 540 O ASP A 37 0.834 -7.189 -6.939 1.00 0.00 O ATOM 541 CB ASP A 37 3.608 -5.633 -6.553 1.00 0.00 C ATOM 542 CG ASP A 37 4.196 -4.337 -5.993 1.00 0.00 C ATOM 543 OD1 ASP A 37 5.240 -3.927 -6.473 1.00 0.00 O ATOM 544 OD2 ASP A 37 3.592 -3.775 -5.093 1.00 0.00 O ATOM 0 H ASP A 37 4.162 -6.431 -4.261 1.00 0.00 H new ATOM 0 HA ASP A 37 1.784 -5.380 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.393 -6.379 -6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.185 -5.455 -7.542 1.00 0.00 H new ATOM 549 N SER A 38 2.335 -8.542 -6.082 1.00 0.00 N ATOM 550 CA SER A 38 1.691 -9.721 -6.734 1.00 0.00 C ATOM 551 C SER A 38 0.922 -10.572 -5.721 1.00 0.00 C ATOM 552 O SER A 38 -0.281 -10.715 -5.804 1.00 0.00 O ATOM 553 CB SER A 38 2.774 -10.580 -7.387 1.00 0.00 C ATOM 554 OG SER A 38 4.053 -9.972 -7.178 1.00 0.00 O ATOM 0 H SER A 38 3.163 -8.749 -5.523 1.00 0.00 H new ATOM 0 HA SER A 38 0.984 -9.356 -7.479 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.763 -11.584 -6.963 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.578 -10.683 -8.454 1.00 0.00 H new ATOM 559 N LEU A 39 1.610 -11.171 -4.790 1.00 0.00 N ATOM 560 CA LEU A 39 0.918 -12.050 -3.805 1.00 0.00 C ATOM 561 C LEU A 39 0.088 -11.235 -2.812 1.00 0.00 C ATOM 562 O LEU A 39 -1.066 -11.527 -2.569 1.00 0.00 O ATOM 563 CB LEU A 39 1.963 -12.867 -3.043 1.00 0.00 C ATOM 564 CG LEU A 39 1.272 -13.910 -2.161 1.00 0.00 C ATOM 565 CD1 LEU A 39 2.071 -15.213 -2.191 1.00 0.00 C ATOM 566 CD2 LEU A 39 1.202 -13.397 -0.719 1.00 0.00 C ATOM 0 H LEU A 39 2.619 -11.091 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 39 0.241 -12.709 -4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.634 -13.361 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.575 -12.207 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 39 0.264 -14.088 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.579 -15.956 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.126 -15.583 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.078 -15.031 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.710 -14.140 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.211 -13.219 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.635 -12.466 -0.691 1.00 0.00 H new ATOM 578 N GLY A 40 0.665 -10.233 -2.220 1.00 0.00 N ATOM 579 CA GLY A 40 -0.089 -9.421 -1.226 1.00 0.00 C ATOM 580 C GLY A 40 -1.189 -8.613 -1.914 1.00 0.00 C ATOM 581 O GLY A 40 -2.289 -8.494 -1.413 1.00 0.00 O ATOM 0 H GLY A 40 1.628 -9.938 -2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.528 -10.075 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.593 -8.748 -0.706 1.00 0.00 H new ATOM 585 N LEU A 41 -0.897 -8.043 -3.047 1.00 0.00 N ATOM 586 CA LEU A 41 -1.924 -7.227 -3.749 1.00 0.00 C ATOM 587 C LEU A 41 -3.109 -8.101 -4.150 1.00 0.00 C ATOM 588 O LEU A 41 -4.248 -7.719 -4.002 1.00 0.00 O ATOM 589 CB LEU A 41 -1.310 -6.604 -5.006 1.00 0.00 C ATOM 590 CG LEU A 41 -2.301 -5.622 -5.643 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.539 -4.415 -6.193 1.00 0.00 C ATOM 592 CD2 LEU A 41 -3.045 -6.308 -6.793 1.00 0.00 C ATOM 0 H LEU A 41 0.006 -8.106 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.270 -6.442 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.386 -6.086 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.051 -7.386 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.017 -5.297 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.242 -3.716 -6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.007 -3.919 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.823 -4.748 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.748 -5.606 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.328 -6.635 -7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.589 -7.171 -6.410 1.00 0.00 H new ATOM 604 N LEU A 42 -2.859 -9.269 -4.665 1.00 0.00 N ATOM 605 CA LEU A 42 -3.996 -10.135 -5.086 1.00 0.00 C ATOM 606 C LEU A 42 -4.905 -10.398 -3.888 1.00 0.00 C ATOM 607 O LEU A 42 -6.114 -10.316 -3.985 1.00 0.00 O ATOM 608 CB LEU A 42 -3.456 -11.462 -5.624 1.00 0.00 C ATOM 609 CG LEU A 42 -4.611 -12.312 -6.150 1.00 0.00 C ATOM 610 CD1 LEU A 42 -5.205 -11.650 -7.390 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.093 -13.705 -6.515 1.00 0.00 C ATOM 0 H LEU A 42 -1.929 -9.660 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.565 -9.634 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.736 -11.276 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.928 -11.997 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.379 -12.399 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.029 -12.256 -7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.573 -10.657 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.438 -11.564 -8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.916 -14.313 -6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.326 -13.618 -7.285 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.667 -14.178 -5.630 1.00 0.00 H new ATOM 623 N LYS A 43 -4.340 -10.701 -2.755 1.00 0.00 N ATOM 624 CA LYS A 43 -5.177 -10.951 -1.555 1.00 0.00 C ATOM 625 C LYS A 43 -5.829 -9.643 -1.104 1.00 0.00 C ATOM 626 O LYS A 43 -6.952 -9.622 -0.644 1.00 0.00 O ATOM 627 CB LYS A 43 -4.297 -11.500 -0.435 1.00 0.00 C ATOM 628 CG LYS A 43 -3.750 -12.870 -0.840 1.00 0.00 C ATOM 629 CD LYS A 43 -2.967 -13.473 0.328 1.00 0.00 C ATOM 630 CE LYS A 43 -2.327 -14.790 -0.114 1.00 0.00 C ATOM 631 NZ LYS A 43 -2.050 -15.633 1.084 1.00 0.00 N ATOM 0 H LYS A 43 -3.334 -10.786 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.956 -11.675 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.475 -10.813 -0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.873 -11.585 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.569 -13.531 -1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.104 -12.772 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.198 -12.777 0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.631 -13.645 1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.991 -15.318 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.402 -14.594 -0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.615 -16.529 0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.401 -15.128 1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.941 -15.831 1.583 1.00 0.00 H new ATOM 645 N VAL A 44 -5.119 -8.550 -1.214 1.00 0.00 N ATOM 646 CA VAL A 44 -5.678 -7.239 -0.771 1.00 0.00 C ATOM 647 C VAL A 44 -6.854 -6.811 -1.653 1.00 0.00 C ATOM 648 O VAL A 44 -7.885 -6.404 -1.162 1.00 0.00 O ATOM 649 CB VAL A 44 -4.583 -6.178 -0.848 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.179 -4.808 -0.525 1.00 0.00 C ATOM 651 CG2 VAL A 44 -3.487 -6.512 0.165 1.00 0.00 C ATOM 0 H VAL A 44 -4.173 -8.510 -1.593 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.037 -7.346 0.253 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.159 -6.159 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.398 -4.049 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.963 -4.574 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.601 -4.823 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.702 -5.757 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.912 -6.527 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.065 -7.490 -0.065 1.00 0.00 H new ATOM 661 N ILE A 45 -6.717 -6.877 -2.945 1.00 0.00 N ATOM 662 CA ILE A 45 -7.836 -6.451 -3.824 1.00 0.00 C ATOM 663 C ILE A 45 -9.084 -7.286 -3.531 1.00 0.00 C ATOM 664 O ILE A 45 -10.177 -6.764 -3.420 1.00 0.00 O ATOM 665 CB ILE A 45 -7.432 -6.632 -5.290 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.208 -5.767 -5.629 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.594 -6.224 -6.181 1.00 0.00 C ATOM 668 CD1 ILE A 45 -6.447 -4.318 -5.205 1.00 0.00 C ATOM 0 H ILE A 45 -5.882 -7.206 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.058 -5.401 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.177 -7.679 -5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.326 -6.160 -5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.008 -5.811 -6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.313 -6.351 -7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.459 -6.849 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.845 -5.179 -5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.571 -3.718 -5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.317 -3.924 -5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.623 -4.278 -4.130 1.00 0.00 H new ATOM 680 N ALA A 46 -8.941 -8.575 -3.416 1.00 0.00 N ATOM 681 CA ALA A 46 -10.130 -9.432 -3.145 1.00 0.00 C ATOM 682 C ALA A 46 -10.680 -9.159 -1.740 1.00 0.00 C ATOM 683 O ALA A 46 -11.873 -9.024 -1.544 1.00 0.00 O ATOM 684 CB ALA A 46 -9.711 -10.899 -3.241 1.00 0.00 C ATOM 0 H ALA A 46 -8.055 -9.073 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.906 -9.207 -3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.573 -11.537 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.328 -11.103 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.933 -11.104 -2.506 1.00 0.00 H new ATOM 690 N TRP A 47 -9.822 -9.088 -0.762 1.00 0.00 N ATOM 691 CA TRP A 47 -10.291 -8.837 0.630 1.00 0.00 C ATOM 692 C TRP A 47 -10.643 -7.359 0.813 1.00 0.00 C ATOM 693 O TRP A 47 -11.669 -7.019 1.368 1.00 0.00 O ATOM 694 CB TRP A 47 -9.188 -9.242 1.601 1.00 0.00 C ATOM 695 CG TRP A 47 -9.320 -8.475 2.871 1.00 0.00 C ATOM 696 CD1 TRP A 47 -10.465 -8.286 3.565 1.00 0.00 C ATOM 697 CD2 TRP A 47 -8.276 -7.795 3.607 1.00 0.00 C ATOM 698 NE1 TRP A 47 -10.181 -7.527 4.688 1.00 0.00 N ATOM 699 CE2 TRP A 47 -8.841 -7.199 4.756 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.903 -7.643 3.383 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -8.061 -6.472 5.656 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.112 -6.915 4.282 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.690 -6.330 5.418 1.00 0.00 C ATOM 0 H TRP A 47 -8.813 -9.193 -0.866 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.187 -9.426 0.827 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -9.246 -10.311 1.805 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.212 -9.055 1.154 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -11.439 -8.664 3.290 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -10.876 -7.245 5.380 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.450 -8.090 2.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -8.512 -6.023 6.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.053 -6.804 4.099 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.077 -5.770 6.109 1.00 0.00 H new ATOM 714 N LEU A 48 -9.797 -6.482 0.358 1.00 0.00 N ATOM 715 CA LEU A 48 -10.072 -5.027 0.509 1.00 0.00 C ATOM 716 C LEU A 48 -11.415 -4.688 -0.142 1.00 0.00 C ATOM 717 O LEU A 48 -12.198 -3.929 0.394 1.00 0.00 O ATOM 718 CB LEU A 48 -8.955 -4.236 -0.177 1.00 0.00 C ATOM 719 CG LEU A 48 -9.117 -2.749 0.113 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.511 -2.434 1.476 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.394 -1.944 -0.967 1.00 0.00 C ATOM 0 H LEU A 48 -8.922 -6.710 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.112 -4.767 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.983 -4.580 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.982 -4.410 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.175 -2.486 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.625 -1.371 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.022 -3.014 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.452 -2.692 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.507 -0.879 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.335 -2.203 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.824 -2.175 -1.942 1.00 0.00 H new ATOM 733 N GLU A 49 -11.694 -5.247 -1.289 1.00 0.00 N ATOM 734 CA GLU A 49 -12.992 -4.952 -1.957 1.00 0.00 C ATOM 735 C GLU A 49 -14.143 -5.446 -1.083 1.00 0.00 C ATOM 736 O GLU A 49 -15.184 -4.828 -1.010 1.00 0.00 O ATOM 737 CB GLU A 49 -13.039 -5.642 -3.327 1.00 0.00 C ATOM 738 CG GLU A 49 -14.490 -5.822 -3.773 1.00 0.00 C ATOM 739 CD GLU A 49 -14.526 -6.263 -5.236 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.464 -6.502 -5.788 1.00 0.00 O ATOM 741 OE2 GLU A 49 -15.614 -6.354 -5.780 1.00 0.00 O ATOM 0 H GLU A 49 -11.082 -5.892 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.089 -3.876 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.495 -5.048 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.544 -6.612 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.984 -6.565 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.037 -4.887 -3.651 1.00 0.00 H new ATOM 748 N ASP A 50 -13.971 -6.553 -0.421 1.00 0.00 N ATOM 749 CA ASP A 50 -15.068 -7.070 0.440 1.00 0.00 C ATOM 750 C ASP A 50 -15.411 -6.045 1.525 1.00 0.00 C ATOM 751 O ASP A 50 -16.562 -5.850 1.865 1.00 0.00 O ATOM 752 CB ASP A 50 -14.624 -8.376 1.098 1.00 0.00 C ATOM 753 CG ASP A 50 -15.820 -9.032 1.790 1.00 0.00 C ATOM 754 OD1 ASP A 50 -15.617 -10.032 2.460 1.00 0.00 O ATOM 755 OD2 ASP A 50 -16.919 -8.524 1.639 1.00 0.00 O ATOM 0 H ASP A 50 -13.123 -7.120 -0.438 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.950 -7.248 -0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.209 -9.050 0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.834 -8.180 1.823 1.00 0.00 H new ATOM 760 N ARG A 51 -14.423 -5.401 2.085 1.00 0.00 N ATOM 761 CA ARG A 51 -14.694 -4.407 3.162 1.00 0.00 C ATOM 762 C ARG A 51 -15.218 -3.079 2.598 1.00 0.00 C ATOM 763 O ARG A 51 -16.127 -2.489 3.148 1.00 0.00 O ATOM 764 CB ARG A 51 -13.407 -4.142 3.941 1.00 0.00 C ATOM 765 CG ARG A 51 -13.037 -5.380 4.760 1.00 0.00 C ATOM 766 CD ARG A 51 -11.860 -5.049 5.681 1.00 0.00 C ATOM 767 NE ARG A 51 -10.698 -4.601 4.864 1.00 0.00 N ATOM 768 CZ ARG A 51 -9.677 -4.031 5.442 1.00 0.00 C ATOM 769 NH1 ARG A 51 -8.657 -3.639 4.727 1.00 0.00 N ATOM 770 NH2 ARG A 51 -9.674 -3.852 6.734 1.00 0.00 N ATOM 0 H ARG A 51 -13.439 -5.521 1.843 1.00 0.00 H new ATOM 0 HA ARG A 51 -15.461 -4.825 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.599 -3.894 3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.539 -3.284 4.600 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.893 -5.708 5.350 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.773 -6.203 4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.145 -4.268 6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.588 -5.925 6.269 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.701 -4.740 3.853 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.659 -3.779 3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.859 -3.193 5.179 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.470 -4.158 7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.875 -3.406 7.185 1.00 0.00 H new ATOM 784 N PHE A 52 -14.645 -2.583 1.532 1.00 0.00 N ATOM 785 CA PHE A 52 -15.109 -1.278 0.984 1.00 0.00 C ATOM 786 C PHE A 52 -15.994 -1.489 -0.246 1.00 0.00 C ATOM 787 O PHE A 52 -16.572 -0.556 -0.768 1.00 0.00 O ATOM 788 CB PHE A 52 -13.886 -0.447 0.602 1.00 0.00 C ATOM 789 CG PHE A 52 -13.121 -0.073 1.849 1.00 0.00 C ATOM 790 CD1 PHE A 52 -12.040 -0.858 2.269 1.00 0.00 C ATOM 791 CD2 PHE A 52 -13.493 1.057 2.585 1.00 0.00 C ATOM 792 CE1 PHE A 52 -11.331 -0.511 3.425 1.00 0.00 C ATOM 793 CE2 PHE A 52 -12.785 1.405 3.742 1.00 0.00 C ATOM 794 CZ PHE A 52 -11.704 0.620 4.162 1.00 0.00 C ATOM 0 H PHE A 52 -13.880 -3.024 1.021 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.698 -0.760 1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.245 -1.013 -0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.196 0.452 0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.753 -1.731 1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.327 1.662 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.496 -1.115 3.749 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.072 2.278 4.310 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.158 0.887 5.055 1.00 0.00 H new ATOM 804 N GLY A 53 -16.113 -2.697 -0.713 1.00 0.00 N ATOM 805 CA GLY A 53 -16.968 -2.947 -1.907 1.00 0.00 C ATOM 806 C GLY A 53 -16.351 -2.263 -3.129 1.00 0.00 C ATOM 807 O GLY A 53 -17.047 -1.841 -4.032 1.00 0.00 O ATOM 0 H GLY A 53 -15.657 -3.522 -0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -17.059 -4.019 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.974 -2.566 -1.733 1.00 0.00 H new ATOM 811 N ILE A 54 -15.052 -2.145 -3.165 1.00 0.00 N ATOM 812 CA ILE A 54 -14.398 -1.481 -4.332 1.00 0.00 C ATOM 813 C ILE A 54 -14.185 -2.495 -5.458 1.00 0.00 C ATOM 814 O ILE A 54 -13.953 -3.662 -5.221 1.00 0.00 O ATOM 815 CB ILE A 54 -13.050 -0.903 -3.902 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.278 0.160 -2.826 1.00 0.00 C ATOM 817 CG2 ILE A 54 -12.358 -0.266 -5.109 1.00 0.00 C ATOM 818 CD1 ILE A 54 -11.939 0.553 -2.201 1.00 0.00 C ATOM 0 H ILE A 54 -14.416 -2.478 -2.441 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.041 -0.678 -4.692 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.421 -1.699 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.758 1.036 -3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.950 -0.223 -2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.397 0.146 -4.802 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.200 -1.022 -5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -12.984 0.532 -5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.104 1.310 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.476 -0.325 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.281 0.954 -2.972 1.00 0.00 H new ATOM 830 N ALA A 55 -14.264 -2.057 -6.683 1.00 0.00 N ATOM 831 CA ALA A 55 -14.072 -2.996 -7.821 1.00 0.00 C ATOM 832 C ALA A 55 -12.666 -3.592 -7.753 1.00 0.00 C ATOM 833 O ALA A 55 -11.734 -2.960 -7.297 1.00 0.00 O ATOM 834 CB ALA A 55 -14.243 -2.242 -9.141 1.00 0.00 C ATOM 0 H ALA A 55 -14.453 -1.089 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.811 -3.795 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.102 -2.931 -9.974 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.245 -1.815 -9.189 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.504 -1.443 -9.202 1.00 0.00 H new ATOM 840 N ALA A 56 -12.509 -4.809 -8.193 1.00 0.00 N ATOM 841 CA ALA A 56 -11.168 -5.451 -8.141 1.00 0.00 C ATOM 842 C ALA A 56 -10.167 -4.623 -8.949 1.00 0.00 C ATOM 843 O ALA A 56 -8.996 -4.565 -8.631 1.00 0.00 O ATOM 844 CB ALA A 56 -11.255 -6.860 -8.729 1.00 0.00 C ATOM 0 H ALA A 56 -13.252 -5.386 -8.586 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.835 -5.507 -7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.273 -7.331 -8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.964 -7.452 -8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.590 -6.802 -9.765 1.00 0.00 H new ATOM 850 N ASP A 57 -10.616 -3.981 -9.992 1.00 0.00 N ATOM 851 CA ASP A 57 -9.686 -3.160 -10.818 1.00 0.00 C ATOM 852 C ASP A 57 -8.481 -4.011 -11.226 1.00 0.00 C ATOM 853 O ASP A 57 -7.351 -3.568 -11.181 1.00 0.00 O ATOM 854 CB ASP A 57 -9.209 -1.958 -10.006 1.00 0.00 C ATOM 855 CG ASP A 57 -8.432 -1.002 -10.914 1.00 0.00 C ATOM 856 OD1 ASP A 57 -7.890 -0.037 -10.399 1.00 0.00 O ATOM 857 OD2 ASP A 57 -8.393 -1.251 -12.107 1.00 0.00 O ATOM 0 H ASP A 57 -11.586 -3.989 -10.308 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.204 -2.812 -11.711 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.062 -1.443 -9.564 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.576 -2.290 -9.183 1.00 0.00 H new ATOM 862 N ASP A 58 -8.717 -5.231 -11.622 1.00 0.00 N ATOM 863 CA ASP A 58 -7.591 -6.117 -12.033 1.00 0.00 C ATOM 864 C ASP A 58 -7.391 -6.027 -13.548 1.00 0.00 C ATOM 865 O ASP A 58 -6.752 -6.866 -14.150 1.00 0.00 O ATOM 866 CB ASP A 58 -7.910 -7.563 -11.641 1.00 0.00 C ATOM 867 CG ASP A 58 -9.141 -8.048 -12.410 1.00 0.00 C ATOM 868 OD1 ASP A 58 -9.541 -7.372 -13.344 1.00 0.00 O ATOM 869 OD2 ASP A 58 -9.665 -9.089 -12.050 1.00 0.00 O ATOM 0 H ASP A 58 -9.643 -5.654 -11.679 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.678 -5.798 -11.531 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.057 -8.205 -11.859 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.091 -7.627 -10.568 1.00 0.00 H new ATOM 874 N VAL A 59 -7.943 -5.021 -14.171 1.00 0.00 N ATOM 875 CA VAL A 59 -7.793 -4.889 -15.647 1.00 0.00 C ATOM 876 C VAL A 59 -6.313 -4.930 -16.029 1.00 0.00 C ATOM 877 O VAL A 59 -5.927 -5.593 -16.972 1.00 0.00 O ATOM 878 CB VAL A 59 -8.399 -3.564 -16.102 1.00 0.00 C ATOM 879 CG1 VAL A 59 -8.022 -3.302 -17.561 1.00 0.00 C ATOM 880 CG2 VAL A 59 -9.923 -3.629 -15.974 1.00 0.00 C ATOM 0 H VAL A 59 -8.490 -4.287 -13.722 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.310 -5.716 -16.134 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.015 -2.757 -15.478 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.455 -2.356 -17.884 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.937 -3.255 -17.654 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.405 -4.109 -18.186 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.356 -2.683 -16.299 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.306 -4.437 -16.598 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.193 -3.814 -14.934 1.00 0.00 H new ATOM 890 N GLU A 60 -5.479 -4.233 -15.309 1.00 0.00 N ATOM 891 CA GLU A 60 -4.025 -4.245 -15.644 1.00 0.00 C ATOM 892 C GLU A 60 -3.232 -3.495 -14.571 1.00 0.00 C ATOM 893 O GLU A 60 -3.416 -2.312 -14.363 1.00 0.00 O ATOM 894 CB GLU A 60 -3.809 -3.565 -16.998 1.00 0.00 C ATOM 895 CG GLU A 60 -2.345 -3.692 -17.406 1.00 0.00 C ATOM 896 CD GLU A 60 -2.105 -2.921 -18.705 1.00 0.00 C ATOM 897 OE1 GLU A 60 -0.983 -2.939 -19.182 1.00 0.00 O ATOM 898 OE2 GLU A 60 -3.048 -2.325 -19.199 1.00 0.00 O ATOM 0 H GLU A 60 -5.738 -3.658 -14.507 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.680 -5.278 -15.689 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.448 -4.023 -17.753 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.090 -2.514 -16.937 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.702 -3.303 -16.616 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.084 -4.742 -17.541 1.00 0.00 H new ATOM 905 N LEU A 61 -2.342 -4.174 -13.897 1.00 0.00 N ATOM 906 CA LEU A 61 -1.523 -3.506 -12.847 1.00 0.00 C ATOM 907 C LEU A 61 -0.080 -3.383 -13.341 1.00 0.00 C ATOM 908 O LEU A 61 0.458 -4.300 -13.929 1.00 0.00 O ATOM 909 CB LEU A 61 -1.550 -4.343 -11.566 1.00 0.00 C ATOM 910 CG LEU A 61 -2.998 -4.577 -11.138 1.00 0.00 C ATOM 911 CD1 LEU A 61 -3.393 -6.023 -11.445 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.133 -4.321 -9.636 1.00 0.00 C ATOM 0 H LEU A 61 -2.147 -5.166 -14.030 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.930 -2.516 -12.641 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.050 -5.297 -11.732 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.004 -3.831 -10.773 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.652 -3.897 -11.684 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.426 -6.191 -11.140 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.296 -6.207 -12.515 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.739 -6.703 -10.899 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.166 -4.488 -9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.479 -5.001 -9.091 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.851 -3.291 -9.416 1.00 0.00 H new ATOM 924 N SER A 62 0.552 -2.260 -13.109 1.00 0.00 N ATOM 925 CA SER A 62 1.960 -2.085 -13.566 1.00 0.00 C ATOM 926 C SER A 62 2.849 -1.737 -12.361 1.00 0.00 C ATOM 927 O SER A 62 2.441 -1.006 -11.482 1.00 0.00 O ATOM 928 CB SER A 62 2.020 -0.950 -14.586 1.00 0.00 C ATOM 929 OG SER A 62 0.881 -0.115 -14.426 1.00 0.00 O ATOM 0 H SER A 62 0.152 -1.458 -12.623 1.00 0.00 H new ATOM 0 HA SER A 62 2.314 -3.009 -14.024 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.933 -0.370 -14.449 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.049 -1.355 -15.597 1.00 0.00 H new ATOM 0 HG SER A 62 0.917 0.616 -15.078 1.00 0.00 H new ATOM 935 N PRO A 63 4.057 -2.253 -12.317 1.00 0.00 N ATOM 936 CA PRO A 63 5.001 -1.979 -11.193 1.00 0.00 C ATOM 937 C PRO A 63 5.392 -0.501 -11.107 1.00 0.00 C ATOM 938 O PRO A 63 5.826 -0.022 -10.079 1.00 0.00 O ATOM 939 CB PRO A 63 6.230 -2.839 -11.505 1.00 0.00 C ATOM 940 CG PRO A 63 6.139 -3.171 -12.958 1.00 0.00 C ATOM 941 CD PRO A 63 4.659 -3.139 -13.326 1.00 0.00 C ATOM 0 HA PRO A 63 4.546 -2.215 -10.231 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.151 -2.299 -11.285 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.238 -3.744 -10.897 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.701 -2.453 -13.555 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.566 -4.154 -13.157 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.507 -2.755 -14.335 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.219 -4.136 -13.295 1.00 0.00 H new ATOM 949 N GLU A 64 5.255 0.221 -12.186 1.00 0.00 N ATOM 950 CA GLU A 64 5.633 1.663 -12.178 1.00 0.00 C ATOM 951 C GLU A 64 4.791 2.427 -11.154 1.00 0.00 C ATOM 952 O GLU A 64 5.242 3.385 -10.557 1.00 0.00 O ATOM 953 CB GLU A 64 5.398 2.253 -13.567 1.00 0.00 C ATOM 954 CG GLU A 64 6.326 1.583 -14.573 1.00 0.00 C ATOM 955 CD GLU A 64 6.140 2.223 -15.949 1.00 0.00 C ATOM 956 OE1 GLU A 64 6.923 1.919 -16.833 1.00 0.00 O ATOM 957 OE2 GLU A 64 5.216 3.007 -16.095 1.00 0.00 O ATOM 0 H GLU A 64 4.896 -0.127 -13.075 1.00 0.00 H new ATOM 0 HA GLU A 64 6.685 1.753 -11.908 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.359 2.108 -13.863 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.578 3.328 -13.551 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.362 1.685 -14.251 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.112 0.516 -14.625 1.00 0.00 H new ATOM 964 N HIS A 65 3.568 2.024 -10.955 1.00 0.00 N ATOM 965 CA HIS A 65 2.693 2.739 -9.981 1.00 0.00 C ATOM 966 C HIS A 65 3.107 2.415 -8.541 1.00 0.00 C ATOM 967 O HIS A 65 2.870 3.187 -7.633 1.00 0.00 O ATOM 968 CB HIS A 65 1.240 2.315 -10.196 1.00 0.00 C ATOM 969 CG HIS A 65 0.353 3.103 -9.271 1.00 0.00 C ATOM 970 ND1 HIS A 65 0.270 4.486 -9.330 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.490 2.717 -8.258 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.595 4.882 -8.378 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.084 3.843 -7.698 1.00 0.00 N ATOM 0 H HIS A 65 3.134 1.229 -11.425 1.00 0.00 H new ATOM 0 HA HIS A 65 2.797 3.812 -10.143 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.948 2.486 -11.232 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.128 1.248 -10.005 1.00 0.00 H new ATOM 0 HD1 HIS A 65 0.773 5.093 -9.977 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.664 1.698 -7.945 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.860 5.912 -8.188 1.00 0.00 H new ATOM 982 N PHE A 66 3.701 1.276 -8.315 1.00 0.00 N ATOM 983 CA PHE A 66 4.099 0.908 -6.924 1.00 0.00 C ATOM 984 C PHE A 66 5.555 1.296 -6.656 1.00 0.00 C ATOM 985 O PHE A 66 6.112 0.951 -5.636 1.00 0.00 O ATOM 986 CB PHE A 66 3.930 -0.601 -6.733 1.00 0.00 C ATOM 987 CG PHE A 66 2.462 -0.949 -6.781 1.00 0.00 C ATOM 988 CD1 PHE A 66 1.713 -0.994 -5.599 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.847 -1.220 -8.010 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.350 -1.310 -5.644 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.484 -1.537 -8.055 1.00 0.00 C ATOM 992 CZ PHE A 66 -0.264 -1.580 -6.872 1.00 0.00 C ATOM 0 H PHE A 66 3.928 0.585 -9.030 1.00 0.00 H new ATOM 0 HA PHE A 66 3.462 1.447 -6.223 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.469 -1.140 -7.512 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.357 -0.908 -5.779 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.187 -0.785 -4.652 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.424 -1.184 -8.922 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.227 -1.345 -4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.010 -1.748 -9.002 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.316 -1.822 -6.907 1.00 0.00 H new ATOM 1002 N ARG A 67 6.183 2.004 -7.550 1.00 0.00 N ATOM 1003 CA ARG A 67 7.604 2.396 -7.317 1.00 0.00 C ATOM 1004 C ARG A 67 7.722 3.214 -6.028 1.00 0.00 C ATOM 1005 O ARG A 67 8.707 3.128 -5.322 1.00 0.00 O ATOM 1006 CB ARG A 67 8.108 3.228 -8.498 1.00 0.00 C ATOM 1007 CG ARG A 67 8.150 2.360 -9.755 1.00 0.00 C ATOM 1008 CD ARG A 67 9.421 1.505 -9.763 1.00 0.00 C ATOM 1009 NE ARG A 67 9.565 0.845 -11.091 1.00 0.00 N ATOM 1010 CZ ARG A 67 10.276 -0.243 -11.207 1.00 0.00 C ATOM 1011 NH1 ARG A 67 10.402 -0.820 -12.371 1.00 0.00 N ATOM 1012 NH2 ARG A 67 10.863 -0.752 -10.159 1.00 0.00 N ATOM 0 H ARG A 67 5.779 2.328 -8.429 1.00 0.00 H new ATOM 0 HA ARG A 67 8.208 1.494 -7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.454 4.085 -8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.101 3.621 -8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.270 1.718 -9.792 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.122 2.991 -10.643 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.292 2.127 -9.557 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.372 0.754 -8.975 1.00 0.00 H new ATOM 0 HE ARG A 67 9.107 1.244 -11.910 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.945 -0.420 -13.190 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.958 -1.670 -12.461 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.766 -0.300 -9.250 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.419 -1.602 -10.249 1.00 0.00 H new ATOM 1026 N SER A 68 6.734 4.010 -5.713 1.00 0.00 N ATOM 1027 CA SER A 68 6.810 4.831 -4.466 1.00 0.00 C ATOM 1028 C SER A 68 5.478 4.771 -3.714 1.00 0.00 C ATOM 1029 O SER A 68 4.425 4.625 -4.302 1.00 0.00 O ATOM 1030 CB SER A 68 7.119 6.283 -4.833 1.00 0.00 C ATOM 1031 OG SER A 68 6.018 6.830 -5.548 1.00 0.00 O ATOM 0 H SER A 68 5.882 4.128 -6.261 1.00 0.00 H new ATOM 0 HA SER A 68 7.599 4.435 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.308 6.866 -3.932 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.023 6.333 -5.440 1.00 0.00 H new ATOM 0 HG SER A 68 5.871 6.313 -6.368 1.00 0.00 H new ATOM 1037 N ILE A 69 5.521 4.885 -2.412 1.00 0.00 N ATOM 1038 CA ILE A 69 4.272 4.839 -1.608 1.00 0.00 C ATOM 1039 C ILE A 69 3.380 6.035 -1.955 1.00 0.00 C ATOM 1040 O ILE A 69 2.168 5.934 -1.976 1.00 0.00 O ATOM 1041 CB ILE A 69 4.644 4.907 -0.128 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.582 3.756 0.219 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.387 4.787 0.715 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.083 3.914 1.656 1.00 0.00 C ATOM 0 H ILE A 69 6.377 5.009 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 69 3.732 3.917 -1.825 1.00 0.00 H new ATOM 0 HB ILE A 69 5.138 5.858 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.062 2.804 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.426 3.741 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.651 4.835 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.707 5.604 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.899 3.835 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.753 3.090 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.619 4.858 1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.234 3.907 2.340 1.00 0.00 H new ATOM 1056 N ARG A 70 3.969 7.173 -2.203 1.00 0.00 N ATOM 1057 CA ARG A 70 3.161 8.387 -2.522 1.00 0.00 C ATOM 1058 C ARG A 70 2.334 8.168 -3.792 1.00 0.00 C ATOM 1059 O ARG A 70 1.215 8.630 -3.896 1.00 0.00 O ATOM 1060 CB ARG A 70 4.101 9.576 -2.730 1.00 0.00 C ATOM 1061 CG ARG A 70 4.840 9.877 -1.426 1.00 0.00 C ATOM 1062 CD ARG A 70 5.684 11.141 -1.598 1.00 0.00 C ATOM 1063 NE ARG A 70 6.621 10.960 -2.741 1.00 0.00 N ATOM 1064 CZ ARG A 70 7.291 11.980 -3.204 1.00 0.00 C ATOM 1065 NH1 ARG A 70 8.112 11.820 -4.206 1.00 0.00 N ATOM 1066 NH2 ARG A 70 7.138 13.159 -2.666 1.00 0.00 N ATOM 0 H ARG A 70 4.979 7.316 -2.199 1.00 0.00 H new ATOM 0 HA ARG A 70 2.482 8.585 -1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.816 9.354 -3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.533 10.450 -3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.126 10.012 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.477 9.036 -1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.038 12.001 -1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.243 11.345 -0.685 1.00 0.00 H new ATOM 0 HE ARG A 70 6.739 10.039 -3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.230 10.898 -4.627 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.636 12.617 -4.568 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.495 13.283 -1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.661 13.956 -3.027 1.00 0.00 H new ATOM 1080 N SER A 71 2.870 7.483 -4.763 1.00 0.00 N ATOM 1081 CA SER A 71 2.103 7.262 -6.020 1.00 0.00 C ATOM 1082 C SER A 71 0.793 6.537 -5.706 1.00 0.00 C ATOM 1083 O SER A 71 -0.257 6.887 -6.208 1.00 0.00 O ATOM 1084 CB SER A 71 2.941 6.411 -6.972 1.00 0.00 C ATOM 1085 OG SER A 71 4.212 7.022 -7.153 1.00 0.00 O ATOM 0 H SER A 71 3.802 7.068 -4.741 1.00 0.00 H new ATOM 0 HA SER A 71 1.877 8.222 -6.484 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.062 5.406 -6.569 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.433 6.311 -7.931 1.00 0.00 H new ATOM 0 HG SER A 71 4.554 7.329 -6.287 1.00 0.00 H new ATOM 1091 N ILE A 72 0.843 5.533 -4.877 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.392 4.788 -4.526 1.00 0.00 C ATOM 1093 C ILE A 72 -1.351 5.710 -3.771 1.00 0.00 C ATOM 1094 O ILE A 72 -2.551 5.657 -3.952 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.018 3.602 -3.642 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.958 2.692 -4.395 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.276 2.817 -3.291 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.426 1.566 -3.471 1.00 0.00 C ATOM 0 H ILE A 72 1.693 5.196 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.880 4.433 -5.433 1.00 0.00 H new ATOM 0 HB ILE A 72 0.454 3.963 -2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.474 2.274 -5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.814 3.269 -4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.011 1.969 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.972 3.464 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.746 2.455 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.120 0.920 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.926 1.993 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.565 0.982 -3.144 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.829 6.546 -2.916 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.705 7.463 -2.136 1.00 0.00 C ATOM 1112 C ASP A 73 -2.553 8.313 -3.084 1.00 0.00 C ATOM 1113 O ASP A 73 -3.720 8.550 -2.842 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.834 8.384 -1.279 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.713 9.130 -0.274 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -2.900 8.850 -0.234 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -1.185 9.968 0.438 1.00 0.00 O ATOM 0 H ASP A 73 0.169 6.633 -2.724 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.363 6.872 -1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.077 7.801 -0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.305 9.095 -1.913 1.00 0.00 H new ATOM 1122 N ALA A 74 -1.978 8.786 -4.154 1.00 0.00 N ATOM 1123 CA ALA A 74 -2.761 9.633 -5.100 1.00 0.00 C ATOM 1124 C ALA A 74 -3.856 8.804 -5.769 1.00 0.00 C ATOM 1125 O ALA A 74 -4.992 9.224 -5.864 1.00 0.00 O ATOM 1126 CB ALA A 74 -1.827 10.204 -6.168 1.00 0.00 C ATOM 0 H ALA A 74 -1.005 8.625 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.224 10.448 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.400 10.823 -6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.057 10.810 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.358 9.387 -6.716 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.531 7.632 -6.239 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.567 6.793 -6.903 1.00 0.00 C ATOM 1134 C PHE A 75 -5.655 6.428 -5.895 1.00 0.00 C ATOM 1135 O PHE A 75 -6.833 6.521 -6.177 1.00 0.00 O ATOM 1136 CB PHE A 75 -3.927 5.516 -7.442 1.00 0.00 C ATOM 1137 CG PHE A 75 -4.959 4.717 -8.203 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.212 5.004 -9.549 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.660 3.690 -7.562 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.168 4.264 -10.256 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.617 2.949 -8.267 1.00 0.00 C ATOM 1142 CZ PHE A 75 -6.871 3.237 -9.614 1.00 0.00 C ATOM 0 H PHE A 75 -2.599 7.221 -6.193 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.008 7.354 -7.727 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.090 5.764 -8.095 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.526 4.923 -6.620 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.670 5.797 -10.043 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.463 3.468 -6.523 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.363 4.485 -11.295 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.159 2.156 -7.772 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.609 2.667 -10.158 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.269 6.008 -4.723 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.277 5.630 -3.700 1.00 0.00 C ATOM 1154 C VAL A 76 -7.078 6.861 -3.264 1.00 0.00 C ATOM 1155 O VAL A 76 -8.284 6.808 -3.144 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.558 5.035 -2.492 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.551 4.866 -1.347 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.977 3.670 -2.867 1.00 0.00 C ATOM 0 H VAL A 76 -4.297 5.911 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.964 4.898 -4.124 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.752 5.700 -2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.041 4.441 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.968 5.837 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.355 4.199 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.463 3.244 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.783 3.004 -3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.270 3.789 -3.688 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.424 7.966 -3.022 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.159 9.183 -2.588 1.00 0.00 C ATOM 1170 C VAL A 77 -8.119 9.638 -3.689 1.00 0.00 C ATOM 1171 O VAL A 77 -9.236 10.036 -3.427 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.153 10.296 -2.299 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.892 11.622 -2.167 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.419 9.993 -0.992 1.00 0.00 C ATOM 0 H VAL A 77 -5.413 8.075 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.733 8.957 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.433 10.357 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.177 12.418 -1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.419 11.839 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.610 11.559 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.701 10.787 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.139 9.933 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.893 9.043 -1.082 1.00 0.00 H new ATOM 1184 N GLY A 78 -7.688 9.593 -4.916 1.00 0.00 N ATOM 1185 CA GLY A 78 -8.567 10.034 -6.035 1.00 0.00 C ATOM 1186 C GLY A 78 -9.859 9.212 -6.059 1.00 0.00 C ATOM 1187 O GLY A 78 -10.901 9.700 -6.446 1.00 0.00 O ATOM 0 H GLY A 78 -6.762 9.269 -5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.804 11.092 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.041 9.924 -6.983 1.00 0.00 H new ATOM 1191 N ALA A 79 -9.801 7.965 -5.668 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.033 7.122 -5.696 1.00 0.00 C ATOM 1193 C ALA A 79 -11.592 6.929 -4.285 1.00 0.00 C ATOM 1194 O ALA A 79 -12.775 7.091 -4.053 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.694 5.756 -6.295 1.00 0.00 C ATOM 0 H ALA A 79 -8.959 7.497 -5.333 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.786 7.624 -6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.590 5.136 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.317 5.887 -7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.932 5.270 -5.685 1.00 0.00 H new ATOM 1201 N THR A 80 -10.761 6.572 -3.345 1.00 0.00 N ATOM 1202 CA THR A 80 -11.254 6.355 -1.953 1.00 0.00 C ATOM 1203 C THR A 80 -10.379 7.119 -0.959 1.00 0.00 C ATOM 1204 O THR A 80 -9.171 7.147 -1.072 1.00 0.00 O ATOM 1205 CB THR A 80 -11.205 4.862 -1.627 1.00 0.00 C ATOM 1206 OG1 THR A 80 -11.933 4.140 -2.611 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.823 4.618 -0.250 1.00 0.00 C ATOM 0 H THR A 80 -9.761 6.421 -3.479 1.00 0.00 H new ATOM 0 HA THR A 80 -12.279 6.718 -1.877 1.00 0.00 H new ATOM 0 HB THR A 80 -10.169 4.525 -1.622 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.651 3.202 -2.604 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.788 3.553 -0.019 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.263 5.172 0.503 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.860 4.955 -0.252 1.00 0.00 H new ATOM 1215 N THR A 81 -10.983 7.729 0.024 1.00 0.00 N ATOM 1216 CA THR A 81 -10.194 8.482 1.036 1.00 0.00 C ATOM 1217 C THR A 81 -10.580 7.995 2.438 1.00 0.00 C ATOM 1218 O THR A 81 -11.476 8.529 3.062 1.00 0.00 O ATOM 1219 CB THR A 81 -10.510 9.974 0.904 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.715 10.709 1.824 1.00 0.00 O ATOM 1221 CG2 THR A 81 -11.991 10.212 1.203 1.00 0.00 C ATOM 0 H THR A 81 -11.993 7.737 0.169 1.00 0.00 H new ATOM 0 HA THR A 81 -9.128 8.319 0.877 1.00 0.00 H new ATOM 0 HB THR A 81 -10.289 10.304 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.916 11.664 1.739 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.215 11.275 1.109 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.600 9.649 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.215 9.883 2.218 1.00 0.00 H new ATOM 1229 N PRO A 82 -9.907 6.982 2.929 1.00 0.00 N ATOM 1230 CA PRO A 82 -10.177 6.407 4.274 1.00 0.00 C ATOM 1231 C PRO A 82 -9.432 7.144 5.391 1.00 0.00 C ATOM 1232 O PRO A 82 -8.466 7.839 5.149 1.00 0.00 O ATOM 1233 CB PRO A 82 -9.656 4.978 4.144 1.00 0.00 C ATOM 1234 CG PRO A 82 -8.539 5.053 3.151 1.00 0.00 C ATOM 1235 CD PRO A 82 -8.812 6.267 2.252 1.00 0.00 C ATOM 0 HA PRO A 82 -11.230 6.478 4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.304 4.599 5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.441 4.303 3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.580 5.158 3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.489 4.139 2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.927 6.896 2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.099 5.961 1.246 1.00 0.00 H new ATOM 1243 N PRO A 83 -9.876 6.982 6.609 1.00 0.00 N ATOM 1244 CA PRO A 83 -9.239 7.630 7.793 1.00 0.00 C ATOM 1245 C PRO A 83 -7.778 7.196 7.953 1.00 0.00 C ATOM 1246 O PRO A 83 -7.405 6.103 7.576 1.00 0.00 O ATOM 1247 CB PRO A 83 -10.076 7.153 8.986 1.00 0.00 C ATOM 1248 CG PRO A 83 -10.860 5.979 8.497 1.00 0.00 C ATOM 1249 CD PRO A 83 -11.031 6.162 6.991 1.00 0.00 C ATOM 0 HA PRO A 83 -9.219 8.716 7.699 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.437 6.874 9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.738 7.944 9.339 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.339 5.047 8.717 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.829 5.927 8.993 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.034 5.205 6.469 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.972 6.658 6.752 1.00 0.00 H new ATOM 1257 N VAL A 84 -6.947 8.039 8.503 1.00 0.00 N ATOM 1258 CA VAL A 84 -5.515 7.658 8.672 1.00 0.00 C ATOM 1259 C VAL A 84 -5.263 7.234 10.119 1.00 0.00 C ATOM 1260 O VAL A 84 -5.559 7.955 11.052 1.00 0.00 O ATOM 1261 CB VAL A 84 -4.630 8.858 8.332 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -3.158 8.447 8.408 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -4.950 9.344 6.917 1.00 0.00 C ATOM 0 H VAL A 84 -7.195 8.969 8.841 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.279 6.827 8.007 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.820 9.661 9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.528 9.303 8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.928 8.101 9.416 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.967 7.643 7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.319 10.199 6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.761 8.541 6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.998 9.639 6.862 1.00 0.00 H new ATOM 1273 N GLU A 85 -4.710 6.067 10.311 1.00 0.00 N ATOM 1274 CA GLU A 85 -4.429 5.588 11.694 1.00 0.00 C ATOM 1275 C GLU A 85 -3.320 6.439 12.315 1.00 0.00 C ATOM 1276 O GLU A 85 -3.291 6.663 13.508 1.00 0.00 O ATOM 1277 CB GLU A 85 -3.981 4.125 11.645 1.00 0.00 C ATOM 1278 CG GLU A 85 -5.132 3.256 11.135 1.00 0.00 C ATOM 1279 CD GLU A 85 -4.708 1.786 11.149 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -5.560 0.942 10.931 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -3.537 1.531 11.379 1.00 0.00 O ATOM 0 H GLU A 85 -4.440 5.423 9.567 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.333 5.673 12.298 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.115 4.020 10.991 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.673 3.794 12.637 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.013 3.397 11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.408 3.556 10.124 1.00 0.00 H new ATOM 1288 N ALA A 86 -2.401 6.906 11.512 1.00 0.00 N ATOM 1289 CA ALA A 86 -1.285 7.735 12.051 1.00 0.00 C ATOM 1290 C ALA A 86 -0.245 6.818 12.697 1.00 0.00 C ATOM 1291 O ALA A 86 -0.504 6.174 13.693 1.00 0.00 O ATOM 1292 CB ALA A 86 -1.828 8.711 13.097 1.00 0.00 C ATOM 0 H ALA A 86 -2.376 6.748 10.505 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.824 8.299 11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.010 9.316 13.489 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.572 9.361 12.636 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.289 8.152 13.911 1.00 0.00 H new ATOM 1298 N LYS A 87 0.933 6.750 12.136 1.00 0.00 N ATOM 1299 CA LYS A 87 1.984 5.869 12.718 1.00 0.00 C ATOM 1300 C LYS A 87 2.247 6.279 14.168 1.00 0.00 C ATOM 1301 O LYS A 87 2.519 5.453 15.017 1.00 0.00 O ATOM 1302 CB LYS A 87 3.276 6.005 11.908 1.00 0.00 C ATOM 1303 CG LYS A 87 3.041 5.511 10.478 1.00 0.00 C ATOM 1304 CD LYS A 87 4.369 5.502 9.718 1.00 0.00 C ATOM 1305 CE LYS A 87 4.116 5.178 8.244 1.00 0.00 C ATOM 1306 NZ LYS A 87 4.374 6.392 7.419 1.00 0.00 N ATOM 0 H LYS A 87 1.211 7.266 11.301 1.00 0.00 H new ATOM 0 HA LYS A 87 1.645 4.833 12.687 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.601 7.045 11.895 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.073 5.428 12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.612 4.509 10.494 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.324 6.157 9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.858 6.472 9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.043 4.764 10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.764 4.362 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.088 4.842 8.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.335 6.141 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.652 7.111 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.315 6.772 7.645 1.00 0.00 H new ATOM 1320 N LEU A 88 2.169 7.549 14.460 1.00 0.00 N ATOM 1321 CA LEU A 88 2.416 8.008 15.855 1.00 0.00 C ATOM 1322 C LEU A 88 1.084 8.109 16.601 1.00 0.00 C ATOM 1323 O LEU A 88 0.082 8.518 16.049 1.00 0.00 O ATOM 1324 CB LEU A 88 3.090 9.382 15.830 1.00 0.00 C ATOM 1325 CG LEU A 88 4.359 9.314 14.978 1.00 0.00 C ATOM 1326 CD1 LEU A 88 5.088 10.657 15.040 1.00 0.00 C ATOM 1327 CD2 LEU A 88 5.277 8.214 15.513 1.00 0.00 C ATOM 0 H LEU A 88 1.945 8.287 13.793 1.00 0.00 H new ATOM 0 HA LEU A 88 3.065 7.294 16.362 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.406 10.127 15.423 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.337 9.696 16.844 1.00 0.00 H new ATOM 0 HG LEU A 88 4.089 9.092 13.945 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.992 10.609 14.433 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.436 11.443 14.658 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.356 10.878 16.073 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.181 8.167 14.905 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.546 8.435 16.546 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.760 7.255 15.470 1.00 0.00 H new ATOM 1339 N GLN A 89 1.065 7.739 17.854 1.00 0.00 N ATOM 1340 CA GLN A 89 -0.201 7.813 18.636 1.00 0.00 C ATOM 1341 C GLN A 89 -0.150 9.019 19.577 1.00 0.00 C ATOM 1342 O GLN A 89 -1.199 9.577 19.850 1.00 0.00 O ATOM 1343 CB GLN A 89 -0.369 6.532 19.457 1.00 0.00 C ATOM 1344 CG GLN A 89 -0.527 5.338 18.514 1.00 0.00 C ATOM 1345 CD GLN A 89 -0.645 4.052 19.334 1.00 0.00 C ATOM 1346 OE1 GLN A 89 -0.317 4.031 20.503 1.00 0.00 O ATOM 1347 NE2 GLN A 89 -1.104 2.971 18.765 1.00 0.00 N ATOM 1348 OXT GLN A 89 0.939 9.363 20.008 1.00 0.00 O ATOM 0 H GLN A 89 1.873 7.389 18.369 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.044 7.920 17.953 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.496 6.386 20.104 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.241 6.615 20.105 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.412 5.467 17.891 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.329 5.276 17.842 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.379 2.989 17.783 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -1.187 2.108 19.302 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 4.312 -7.137 -12.577 1.00 0.00 O HETATM 1359 O4 PN7 A 101 0.819 -6.778 -12.816 1.00 0.00 O HETATM 1360 C2 PN7 A 101 3.033 -6.650 -10.600 1.00 0.00 C HETATM 1361 C1 PN7 A 101 4.048 -7.395 -9.730 1.00 0.00 C HETATM 1362 P PN7 A 101 4.603 -9.506 -8.617 1.00 0.00 P HETATM 1363 O1P PN7 A 101 5.815 -8.683 -8.406 1.00 0.00 O HETATM 1364 O2P PN7 A 101 4.663 -10.695 -9.497 1.00 0.00 O HETATM 1365 O3P PN7 A 101 3.427 -8.544 -9.150 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 3.424 -5.174 -10.688 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 1.639 -6.771 -9.978 1.00 0.00 C HETATM 1368 C3 PN7 A 101 3.020 -7.259 -12.000 1.00 0.00 C HETATM 1369 C4 PN7 A 101 2.005 -6.521 -12.874 1.00 0.00 C HETATM 1370 N5 PN7 A 101 2.463 -5.619 -13.698 1.00 0.00 N HETATM 1371 C6 PN7 A 101 2.789 -5.991 -15.103 1.00 0.00 C HETATM 1372 C7 PN7 A 101 1.521 -6.473 -15.810 1.00 0.00 C HETATM 1373 C8 PN7 A 101 1.756 -7.872 -16.384 1.00 0.00 C HETATM 1374 O8 PN7 A 101 2.683 -8.096 -17.136 1.00 0.00 O HETATM 1375 N9 PN7 A 101 0.909 -8.808 -16.054 1.00 0.00 N HETATM 1376 C10 PN7 A 101 0.697 -9.973 -16.958 1.00 0.00 C HETATM 1377 C11 PN7 A 101 -0.803 -10.236 -17.107 1.00 0.00 C HETATM 1378 S12 PN7 A 101 -1.212 -11.835 -16.365 1.00 0.00 S