USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=10 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 2 GLN : amide:sc= -5.53! C(o=-12!,f=-17!) USER MOD Set 1.2: A 3 HIS : no HE2:sc= -5.4! C(o=-12!,f=-16!) USER MOD Set 1.3: A 81 THR OG1 : rot 110:sc= -0.781 USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 0.0702 USER MOD Set 2.2: A 71 SER OG : rot -72:sc= 1.15 USER MOD Single : A 1 MET CE :methyl -150:sc= -0.248 (180deg=-1.58!) USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.00252 (180deg=-0.187) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 9 GLN : amide:sc= -0.146 X(o=-0.15,f=0.15) USER MOD Single : A 33 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.197 USER MOD Single : A 65 HIS : no HD1:sc= -0.0115 X(o=-0.012,f=-0.09) USER MOD Single : A 80 THR OG1 : rot -150:sc= 1.01 USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= 0.506 (180deg=-0.919!) USER MOD Single : A 89 GLN : amide:sc=-0.000112 K(o=-0.00011,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.215 15.137 1.755 1.00 0.00 N ATOM 2 CA MET A 1 -0.804 13.837 2.357 1.00 0.00 C ATOM 3 C MET A 1 -2.045 13.015 2.703 1.00 0.00 C ATOM 4 O MET A 1 -2.170 11.871 2.314 1.00 0.00 O ATOM 5 CB MET A 1 0.008 14.095 3.627 1.00 0.00 C ATOM 6 CG MET A 1 1.352 14.722 3.254 1.00 0.00 C ATOM 7 SD MET A 1 2.378 14.878 4.737 1.00 0.00 S ATOM 8 CE MET A 1 1.260 15.950 5.674 1.00 0.00 C ATOM 0 H1 MET A 1 -0.388 15.596 1.322 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.938 14.969 1.027 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.606 15.754 2.495 1.00 0.00 H new ATOM 0 HA MET A 1 -0.194 13.286 1.642 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.542 14.758 4.295 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.167 13.161 4.166 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.859 14.106 2.511 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.195 15.702 2.802 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.841 16.590 6.338 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.686 16.568 4.984 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.579 15.338 6.265 1.00 0.00 H new ATOM 20 N GLN A 2 -2.959 13.587 3.435 1.00 0.00 N ATOM 21 CA GLN A 2 -4.190 12.837 3.809 1.00 0.00 C ATOM 22 C GLN A 2 -3.792 11.538 4.510 1.00 0.00 C ATOM 23 O GLN A 2 -4.205 10.465 4.122 1.00 0.00 O ATOM 24 CB GLN A 2 -5.007 12.515 2.554 1.00 0.00 C ATOM 25 CG GLN A 2 -5.420 13.817 1.866 1.00 0.00 C ATOM 26 CD GLN A 2 -6.239 13.494 0.616 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.292 12.359 0.186 1.00 0.00 O ATOM 28 NE2 GLN A 2 -6.886 14.452 0.009 1.00 0.00 N ATOM 0 H GLN A 2 -2.907 14.542 3.791 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.796 13.446 4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.419 11.902 1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.891 11.936 2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.006 14.432 2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.536 14.395 1.596 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.842 15.405 0.369 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.435 14.247 -0.826 1.00 0.00 H new ATOM 37 N HIS A 3 -2.981 11.633 5.532 1.00 0.00 N ATOM 38 CA HIS A 3 -2.532 10.413 6.268 1.00 0.00 C ATOM 39 C HIS A 3 -1.451 9.699 5.457 1.00 0.00 C ATOM 40 O HIS A 3 -1.434 8.488 5.356 1.00 0.00 O ATOM 41 CB HIS A 3 -3.713 9.463 6.491 1.00 0.00 C ATOM 42 CG HIS A 3 -4.959 10.264 6.753 1.00 0.00 C ATOM 43 ND1 HIS A 3 -5.902 10.510 5.764 1.00 0.00 N ATOM 44 CD2 HIS A 3 -5.430 10.884 7.884 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.883 11.249 6.315 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.642 11.502 7.603 1.00 0.00 N ATOM 0 H HIS A 3 -2.607 12.511 5.891 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.130 10.712 7.236 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.853 8.828 5.616 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.508 8.803 7.334 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -5.859 10.189 4.797 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.935 10.890 8.844 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.756 11.594 5.781 1.00 0.00 H new ATOM 55 N ALA A 4 -0.547 10.440 4.878 1.00 0.00 N ATOM 56 CA ALA A 4 0.534 9.805 4.075 1.00 0.00 C ATOM 57 C ALA A 4 1.369 8.893 4.976 1.00 0.00 C ATOM 58 O ALA A 4 1.870 7.872 4.547 1.00 0.00 O ATOM 59 CB ALA A 4 1.431 10.891 3.479 1.00 0.00 C ATOM 0 H ALA A 4 -0.511 11.458 4.927 1.00 0.00 H new ATOM 0 HA ALA A 4 0.092 9.217 3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.223 10.427 2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.837 11.542 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.874 11.479 4.283 1.00 0.00 H new ATOM 65 N SER A 5 1.529 9.253 6.221 1.00 0.00 N ATOM 66 CA SER A 5 2.337 8.405 7.142 1.00 0.00 C ATOM 67 C SER A 5 1.685 7.029 7.283 1.00 0.00 C ATOM 68 O SER A 5 2.358 6.022 7.386 1.00 0.00 O ATOM 69 CB SER A 5 2.416 9.075 8.514 1.00 0.00 C ATOM 70 OG SER A 5 1.128 9.064 9.116 1.00 0.00 O ATOM 0 H SER A 5 1.136 10.096 6.639 1.00 0.00 H new ATOM 0 HA SER A 5 3.341 8.287 6.735 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.131 8.550 9.147 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.774 10.100 8.411 1.00 0.00 H new ATOM 0 HG SER A 5 1.175 9.491 9.997 1.00 0.00 H new ATOM 76 N VAL A 6 0.382 6.972 7.282 1.00 0.00 N ATOM 77 CA VAL A 6 -0.301 5.654 7.409 1.00 0.00 C ATOM 78 C VAL A 6 0.000 4.814 6.172 1.00 0.00 C ATOM 79 O VAL A 6 0.219 3.622 6.254 1.00 0.00 O ATOM 80 CB VAL A 6 -1.810 5.858 7.528 1.00 0.00 C ATOM 81 CG1 VAL A 6 -2.517 4.501 7.460 1.00 0.00 C ATOM 82 CG2 VAL A 6 -2.130 6.532 8.864 1.00 0.00 C ATOM 0 H VAL A 6 -0.238 7.778 7.199 1.00 0.00 H new ATOM 0 HA VAL A 6 0.061 5.144 8.302 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.156 6.489 6.710 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.594 4.647 7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.290 4.020 6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.171 3.869 8.278 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.207 6.678 8.949 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.783 5.901 9.682 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.628 7.498 8.913 1.00 0.00 H new ATOM 92 N ILE A 7 0.010 5.429 5.024 1.00 0.00 N ATOM 93 CA ILE A 7 0.294 4.672 3.775 1.00 0.00 C ATOM 94 C ILE A 7 1.678 4.032 3.876 1.00 0.00 C ATOM 95 O ILE A 7 1.846 2.852 3.638 1.00 0.00 O ATOM 96 CB ILE A 7 0.250 5.635 2.590 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.141 6.270 2.517 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.534 4.871 1.296 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.144 7.394 1.481 1.00 0.00 C ATOM 0 H ILE A 7 -0.167 6.425 4.896 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.451 3.889 3.634 1.00 0.00 H new ATOM 0 HB ILE A 7 1.004 6.412 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.881 5.516 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.423 6.663 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.502 5.560 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.521 4.413 1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.219 4.095 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.136 7.842 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.416 8.154 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.882 6.989 0.504 1.00 0.00 H new ATOM 111 N ALA A 8 2.670 4.795 4.245 1.00 0.00 N ATOM 112 CA ALA A 8 4.037 4.220 4.379 1.00 0.00 C ATOM 113 C ALA A 8 4.016 3.172 5.489 1.00 0.00 C ATOM 114 O ALA A 8 4.587 2.107 5.371 1.00 0.00 O ATOM 115 CB ALA A 8 5.029 5.329 4.737 1.00 0.00 C ATOM 0 H ALA A 8 2.593 5.789 4.459 1.00 0.00 H new ATOM 0 HA ALA A 8 4.343 3.762 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.029 4.905 4.834 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.030 6.084 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.736 5.788 5.681 1.00 0.00 H new ATOM 121 N GLN A 9 3.345 3.467 6.563 1.00 0.00 N ATOM 122 CA GLN A 9 3.257 2.494 7.685 1.00 0.00 C ATOM 123 C GLN A 9 2.483 1.260 7.220 1.00 0.00 C ATOM 124 O GLN A 9 2.781 0.146 7.594 1.00 0.00 O ATOM 125 CB GLN A 9 2.514 3.144 8.855 1.00 0.00 C ATOM 126 CG GLN A 9 2.435 2.165 10.027 1.00 0.00 C ATOM 127 CD GLN A 9 0.972 1.979 10.434 1.00 0.00 C ATOM 128 OE1 GLN A 9 0.535 2.514 11.434 1.00 0.00 O ATOM 129 NE2 GLN A 9 0.192 1.239 9.695 1.00 0.00 N ATOM 0 H GLN A 9 2.850 4.346 6.714 1.00 0.00 H new ATOM 0 HA GLN A 9 4.259 2.202 8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.028 4.054 9.164 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.511 3.435 8.544 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.870 1.206 9.745 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.014 2.542 10.870 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.560 0.790 8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.785 1.109 9.956 1.00 0.00 H new ATOM 138 N PHE A 10 1.478 1.463 6.417 1.00 0.00 N ATOM 139 CA PHE A 10 0.653 0.320 5.934 1.00 0.00 C ATOM 140 C PHE A 10 1.528 -0.669 5.163 1.00 0.00 C ATOM 141 O PHE A 10 1.548 -1.850 5.451 1.00 0.00 O ATOM 142 CB PHE A 10 -0.425 0.879 5.002 1.00 0.00 C ATOM 143 CG PHE A 10 -1.512 -0.141 4.767 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.608 -0.200 5.636 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.436 -1.012 3.674 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.629 -1.129 5.412 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.457 -1.945 3.452 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.554 -2.001 4.321 1.00 0.00 C ATOM 0 H PHE A 10 1.190 2.378 6.071 1.00 0.00 H new ATOM 0 HA PHE A 10 0.201 -0.200 6.779 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.855 1.782 5.436 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.023 1.165 4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.665 0.472 6.480 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.591 -0.965 3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.475 -1.173 6.081 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.398 -2.621 2.611 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.343 -2.718 4.148 1.00 0.00 H new ATOM 158 N VAL A 11 2.253 -0.200 4.190 1.00 0.00 N ATOM 159 CA VAL A 11 3.129 -1.117 3.407 1.00 0.00 C ATOM 160 C VAL A 11 4.346 -1.519 4.247 1.00 0.00 C ATOM 161 O VAL A 11 4.759 -2.662 4.253 1.00 0.00 O ATOM 162 CB VAL A 11 3.590 -0.419 2.125 1.00 0.00 C ATOM 163 CG1 VAL A 11 4.704 0.577 2.449 1.00 0.00 C ATOM 164 CG2 VAL A 11 4.117 -1.464 1.140 1.00 0.00 C ATOM 0 H VAL A 11 2.279 0.778 3.901 1.00 0.00 H new ATOM 0 HA VAL A 11 2.567 -2.013 3.145 1.00 0.00 H new ATOM 0 HB VAL A 11 2.748 0.113 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.028 1.071 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.332 1.323 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.547 0.048 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.446 -0.969 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.957 -1.995 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.324 -2.173 0.903 1.00 0.00 H new ATOM 174 N VAL A 12 4.929 -0.582 4.947 1.00 0.00 N ATOM 175 CA VAL A 12 6.129 -0.897 5.777 1.00 0.00 C ATOM 176 C VAL A 12 5.762 -1.874 6.897 1.00 0.00 C ATOM 177 O VAL A 12 6.528 -2.754 7.237 1.00 0.00 O ATOM 178 CB VAL A 12 6.680 0.392 6.384 1.00 0.00 C ATOM 179 CG1 VAL A 12 7.867 0.061 7.288 1.00 0.00 C ATOM 180 CG2 VAL A 12 7.140 1.330 5.266 1.00 0.00 C ATOM 0 H VAL A 12 4.625 0.391 4.980 1.00 0.00 H new ATOM 0 HA VAL A 12 6.886 -1.359 5.142 1.00 0.00 H new ATOM 0 HB VAL A 12 5.899 0.879 6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.261 0.980 7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.542 -0.607 8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.646 -0.427 6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.533 2.249 5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.920 0.843 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.295 1.567 4.619 1.00 0.00 H new ATOM 190 N GLU A 13 4.604 -1.726 7.480 1.00 0.00 N ATOM 191 CA GLU A 13 4.206 -2.645 8.586 1.00 0.00 C ATOM 192 C GLU A 13 4.271 -4.093 8.101 1.00 0.00 C ATOM 193 O GLU A 13 4.467 -5.007 8.876 1.00 0.00 O ATOM 194 CB GLU A 13 2.786 -2.324 9.050 1.00 0.00 C ATOM 195 CG GLU A 13 2.422 -3.216 10.236 1.00 0.00 C ATOM 196 CD GLU A 13 0.973 -2.954 10.649 1.00 0.00 C ATOM 197 OE1 GLU A 13 0.340 -2.121 10.022 1.00 0.00 O ATOM 198 OE2 GLU A 13 0.521 -3.591 11.586 1.00 0.00 O ATOM 0 H GLU A 13 3.917 -1.011 7.240 1.00 0.00 H new ATOM 0 HA GLU A 13 4.893 -2.511 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.714 -1.274 9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.081 -2.481 8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.550 -4.265 9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.091 -3.016 11.073 1.00 0.00 H new ATOM 205 N GLU A 14 4.114 -4.312 6.826 1.00 0.00 N ATOM 206 CA GLU A 14 4.174 -5.707 6.306 1.00 0.00 C ATOM 207 C GLU A 14 5.577 -6.267 6.533 1.00 0.00 C ATOM 208 O GLU A 14 5.761 -7.452 6.729 1.00 0.00 O ATOM 209 CB GLU A 14 3.882 -5.711 4.805 1.00 0.00 C ATOM 210 CG GLU A 14 2.429 -5.311 4.557 1.00 0.00 C ATOM 211 CD GLU A 14 2.147 -5.370 3.055 1.00 0.00 C ATOM 212 OE1 GLU A 14 3.101 -5.450 2.300 1.00 0.00 O ATOM 213 OE2 GLU A 14 0.986 -5.339 2.686 1.00 0.00 O ATOM 0 H GLU A 14 3.948 -3.591 6.124 1.00 0.00 H new ATOM 0 HA GLU A 14 3.435 -6.317 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.551 -5.019 4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.071 -6.702 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.757 -5.981 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.245 -4.306 4.936 1.00 0.00 H new ATOM 220 N PHE A 15 6.569 -5.423 6.504 1.00 0.00 N ATOM 221 CA PHE A 15 7.962 -5.904 6.712 1.00 0.00 C ATOM 222 C PHE A 15 8.816 -4.759 7.270 1.00 0.00 C ATOM 223 O PHE A 15 9.857 -4.429 6.739 1.00 0.00 O ATOM 224 CB PHE A 15 8.528 -6.381 5.372 1.00 0.00 C ATOM 225 CG PHE A 15 7.798 -5.690 4.244 1.00 0.00 C ATOM 226 CD1 PHE A 15 7.294 -6.441 3.176 1.00 0.00 C ATOM 227 CD2 PHE A 15 7.624 -4.300 4.266 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.617 -5.804 2.130 1.00 0.00 C ATOM 229 CE2 PHE A 15 6.947 -3.663 3.220 1.00 0.00 C ATOM 230 CZ PHE A 15 6.444 -4.415 2.152 1.00 0.00 C ATOM 0 H PHE A 15 6.475 -4.420 6.345 1.00 0.00 H new ATOM 0 HA PHE A 15 7.972 -6.731 7.422 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.595 -6.163 5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.419 -7.462 5.283 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.428 -7.513 3.159 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.012 -3.720 5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.228 -6.384 1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.813 -2.592 3.237 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.922 -3.923 1.344 1.00 0.00 H new ATOM 240 N LEU A 16 8.380 -4.142 8.335 1.00 0.00 N ATOM 241 CA LEU A 16 9.166 -3.019 8.908 1.00 0.00 C ATOM 242 C LEU A 16 10.315 -3.566 9.767 1.00 0.00 C ATOM 243 O LEU A 16 10.131 -4.478 10.547 1.00 0.00 O ATOM 244 CB LEU A 16 8.248 -2.118 9.751 1.00 0.00 C ATOM 245 CG LEU A 16 8.009 -2.705 11.148 1.00 0.00 C ATOM 246 CD1 LEU A 16 7.150 -1.732 11.957 1.00 0.00 C ATOM 247 CD2 LEU A 16 7.270 -4.044 11.034 1.00 0.00 C ATOM 0 H LEU A 16 7.517 -4.368 8.829 1.00 0.00 H new ATOM 0 HA LEU A 16 9.590 -2.428 8.097 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.694 -1.128 9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.293 -1.991 9.241 1.00 0.00 H new ATOM 0 HG LEU A 16 8.968 -2.863 11.641 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.975 -2.142 12.952 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.667 -0.776 12.044 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.195 -1.584 11.453 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.104 -4.454 12.030 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.310 -3.889 10.541 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.870 -4.742 10.450 1.00 0.00 H new ATOM 259 N PRO A 17 11.493 -3.006 9.647 1.00 0.00 N ATOM 260 CA PRO A 17 12.661 -3.449 10.451 1.00 0.00 C ATOM 261 C PRO A 17 12.525 -2.989 11.906 1.00 0.00 C ATOM 262 O PRO A 17 11.434 -2.776 12.397 1.00 0.00 O ATOM 263 CB PRO A 17 13.850 -2.766 9.768 1.00 0.00 C ATOM 264 CG PRO A 17 13.279 -1.550 9.123 1.00 0.00 C ATOM 265 CD PRO A 17 11.845 -1.896 8.743 1.00 0.00 C ATOM 0 HA PRO A 17 12.764 -4.533 10.490 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.623 -2.503 10.491 1.00 0.00 H new ATOM 0 HB3 PRO A 17 14.313 -3.423 9.031 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.305 -0.700 9.805 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.857 -1.270 8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.179 -1.044 8.880 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.770 -2.194 7.697 1.00 0.00 H new ATOM 273 N ASP A 18 13.614 -2.822 12.594 1.00 0.00 N ATOM 274 CA ASP A 18 13.540 -2.364 14.004 1.00 0.00 C ATOM 275 C ASP A 18 13.404 -0.840 14.022 1.00 0.00 C ATOM 276 O ASP A 18 13.637 -0.195 15.025 1.00 0.00 O ATOM 277 CB ASP A 18 14.816 -2.781 14.737 1.00 0.00 C ATOM 278 CG ASP A 18 16.027 -2.086 14.108 1.00 0.00 C ATOM 279 OD1 ASP A 18 17.138 -2.478 14.424 1.00 0.00 O ATOM 280 OD2 ASP A 18 15.824 -1.177 13.320 1.00 0.00 O ATOM 0 H ASP A 18 14.557 -2.984 12.239 1.00 0.00 H new ATOM 0 HA ASP A 18 12.680 -2.813 14.500 1.00 0.00 H new ATOM 0 HB2 ASP A 18 14.742 -2.518 15.792 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.939 -3.863 14.685 1.00 0.00 H new ATOM 285 N VAL A 19 13.043 -0.263 12.906 1.00 0.00 N ATOM 286 CA VAL A 19 12.903 1.220 12.833 1.00 0.00 C ATOM 287 C VAL A 19 11.436 1.598 12.629 1.00 0.00 C ATOM 288 O VAL A 19 10.732 0.988 11.849 1.00 0.00 O ATOM 289 CB VAL A 19 13.713 1.737 11.646 1.00 0.00 C ATOM 290 CG1 VAL A 19 13.681 3.267 11.626 1.00 0.00 C ATOM 291 CG2 VAL A 19 15.162 1.258 11.768 1.00 0.00 C ATOM 0 H VAL A 19 12.838 -0.758 12.038 1.00 0.00 H new ATOM 0 HA VAL A 19 13.265 1.661 13.762 1.00 0.00 H new ATOM 0 HB VAL A 19 13.280 1.355 10.721 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.260 3.632 10.778 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.650 3.608 11.535 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.110 3.652 12.551 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.740 1.627 10.921 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.594 1.637 12.694 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.186 0.168 11.776 1.00 0.00 H new ATOM 301 N ALA A 20 10.972 2.608 13.312 1.00 0.00 N ATOM 302 CA ALA A 20 9.555 3.028 13.139 1.00 0.00 C ATOM 303 C ALA A 20 9.370 3.557 11.706 1.00 0.00 C ATOM 304 O ALA A 20 10.206 4.287 11.212 1.00 0.00 O ATOM 305 CB ALA A 20 9.230 4.142 14.136 1.00 0.00 C ATOM 0 H ALA A 20 11.512 3.158 13.980 1.00 0.00 H new ATOM 0 HA ALA A 20 8.891 2.182 13.314 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.192 4.451 14.011 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.380 3.776 15.152 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.886 4.994 13.957 1.00 0.00 H new ATOM 311 N PRO A 21 8.295 3.208 11.033 1.00 0.00 N ATOM 312 CA PRO A 21 8.048 3.686 9.641 1.00 0.00 C ATOM 313 C PRO A 21 8.250 5.198 9.509 1.00 0.00 C ATOM 314 O PRO A 21 8.629 5.696 8.467 1.00 0.00 O ATOM 315 CB PRO A 21 6.584 3.333 9.381 1.00 0.00 C ATOM 316 CG PRO A 21 6.256 2.221 10.321 1.00 0.00 C ATOM 317 CD PRO A 21 7.212 2.327 11.509 1.00 0.00 C ATOM 0 HA PRO A 21 8.739 3.229 8.933 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.938 4.194 9.554 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.435 3.026 8.346 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.221 2.293 10.654 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.365 1.256 9.826 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.714 2.747 12.383 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.595 1.349 11.799 1.00 0.00 H new ATOM 325 N ALA A 22 8.004 5.929 10.559 1.00 0.00 N ATOM 326 CA ALA A 22 8.185 7.407 10.503 1.00 0.00 C ATOM 327 C ALA A 22 9.669 7.733 10.321 1.00 0.00 C ATOM 328 O ALA A 22 10.030 8.784 9.831 1.00 0.00 O ATOM 329 CB ALA A 22 7.683 8.028 11.807 1.00 0.00 C ATOM 0 H ALA A 22 7.684 5.566 11.457 1.00 0.00 H new ATOM 0 HA ALA A 22 7.619 7.812 9.664 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.814 9.109 11.769 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.626 7.795 11.938 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.250 7.623 12.645 1.00 0.00 H new ATOM 335 N ASP A 23 10.531 6.837 10.717 1.00 0.00 N ATOM 336 CA ASP A 23 11.993 7.087 10.576 1.00 0.00 C ATOM 337 C ASP A 23 12.523 6.333 9.357 1.00 0.00 C ATOM 338 O ASP A 23 13.713 6.268 9.122 1.00 0.00 O ATOM 339 CB ASP A 23 12.718 6.603 11.833 1.00 0.00 C ATOM 340 CG ASP A 23 12.315 7.474 13.023 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.713 8.511 12.796 1.00 0.00 O ATOM 342 OD2 ASP A 23 12.615 7.091 14.142 1.00 0.00 O ATOM 0 H ASP A 23 10.284 5.939 11.134 1.00 0.00 H new ATOM 0 HA ASP A 23 12.168 8.155 10.446 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.468 5.561 12.031 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.797 6.649 11.684 1.00 0.00 H new ATOM 347 N VAL A 24 11.646 5.765 8.577 1.00 0.00 N ATOM 348 CA VAL A 24 12.096 5.018 7.371 1.00 0.00 C ATOM 349 C VAL A 24 11.897 5.900 6.141 1.00 0.00 C ATOM 350 O VAL A 24 10.892 6.567 6.001 1.00 0.00 O ATOM 351 CB VAL A 24 11.273 3.737 7.220 1.00 0.00 C ATOM 352 CG1 VAL A 24 11.765 2.955 6.001 1.00 0.00 C ATOM 353 CG2 VAL A 24 11.437 2.877 8.474 1.00 0.00 C ATOM 0 H VAL A 24 10.637 5.786 8.723 1.00 0.00 H new ATOM 0 HA VAL A 24 13.149 4.755 7.473 1.00 0.00 H new ATOM 0 HB VAL A 24 10.222 3.994 7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.179 2.042 5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.652 3.567 5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.816 2.698 6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.851 1.964 8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.488 2.621 8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.088 3.433 9.344 1.00 0.00 H new ATOM 363 N ASP A 25 12.848 5.917 5.250 1.00 0.00 N ATOM 364 CA ASP A 25 12.705 6.766 4.039 1.00 0.00 C ATOM 365 C ASP A 25 11.555 6.238 3.183 1.00 0.00 C ATOM 366 O ASP A 25 11.739 5.393 2.329 1.00 0.00 O ATOM 367 CB ASP A 25 14.004 6.725 3.231 1.00 0.00 C ATOM 368 CG ASP A 25 15.123 7.399 4.027 1.00 0.00 C ATOM 369 OD1 ASP A 25 16.271 7.248 3.642 1.00 0.00 O ATOM 370 OD2 ASP A 25 14.813 8.054 5.008 1.00 0.00 O ATOM 0 H ASP A 25 13.714 5.382 5.309 1.00 0.00 H new ATOM 0 HA ASP A 25 12.496 7.793 4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.273 5.693 3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.867 7.232 2.276 1.00 0.00 H new ATOM 375 N VAL A 26 10.367 6.733 3.404 1.00 0.00 N ATOM 376 CA VAL A 26 9.203 6.261 2.601 1.00 0.00 C ATOM 377 C VAL A 26 9.434 6.588 1.122 1.00 0.00 C ATOM 378 O VAL A 26 8.567 6.398 0.292 1.00 0.00 O ATOM 379 CB VAL A 26 7.935 6.966 3.085 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.831 6.842 4.606 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.995 8.445 2.698 1.00 0.00 C ATOM 0 H VAL A 26 10.153 7.443 4.105 1.00 0.00 H new ATOM 0 HA VAL A 26 9.092 5.183 2.721 1.00 0.00 H new ATOM 0 HB VAL A 26 7.063 6.503 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.927 7.344 4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.789 5.789 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.703 7.304 5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.092 8.948 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.867 8.907 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.069 8.535 1.614 1.00 0.00 H new ATOM 391 N ASP A 27 10.599 7.072 0.785 1.00 0.00 N ATOM 392 CA ASP A 27 10.890 7.404 -0.638 1.00 0.00 C ATOM 393 C ASP A 27 11.531 6.191 -1.315 1.00 0.00 C ATOM 394 O ASP A 27 12.064 6.282 -2.402 1.00 0.00 O ATOM 395 CB ASP A 27 11.852 8.592 -0.699 1.00 0.00 C ATOM 396 CG ASP A 27 11.156 9.842 -0.158 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.844 10.818 0.090 1.00 0.00 O ATOM 398 OD2 ASP A 27 9.947 9.801 0.000 1.00 0.00 O ATOM 0 H ASP A 27 11.363 7.252 1.436 1.00 0.00 H new ATOM 0 HA ASP A 27 9.964 7.664 -1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.747 8.379 -0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.175 8.759 -1.726 1.00 0.00 H new ATOM 403 N LEU A 28 11.486 5.054 -0.674 1.00 0.00 N ATOM 404 CA LEU A 28 12.096 3.833 -1.270 1.00 0.00 C ATOM 405 C LEU A 28 11.095 3.166 -2.207 1.00 0.00 C ATOM 406 O LEU A 28 9.938 2.997 -1.879 1.00 0.00 O ATOM 407 CB LEU A 28 12.473 2.856 -0.156 1.00 0.00 C ATOM 408 CG LEU A 28 13.215 1.656 -0.751 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.589 2.095 -1.265 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.397 0.587 0.329 1.00 0.00 C ATOM 0 H LEU A 28 11.052 4.919 0.239 1.00 0.00 H new ATOM 0 HA LEU A 28 12.988 4.112 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.102 3.355 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.576 2.520 0.365 1.00 0.00 H new ATOM 0 HG LEU A 28 12.634 1.250 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.111 1.236 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.463 2.857 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.172 2.505 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.925 -0.269 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.975 1.000 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.420 0.268 0.693 1.00 0.00 H new ATOM 422 N ASP A 29 11.533 2.781 -3.373 1.00 0.00 N ATOM 423 CA ASP A 29 10.605 2.123 -4.325 1.00 0.00 C ATOM 424 C ASP A 29 10.138 0.796 -3.730 1.00 0.00 C ATOM 425 O ASP A 29 10.929 -0.070 -3.412 1.00 0.00 O ATOM 426 CB ASP A 29 11.319 1.879 -5.658 1.00 0.00 C ATOM 427 CG ASP A 29 12.623 1.114 -5.416 1.00 0.00 C ATOM 428 OD1 ASP A 29 12.877 0.757 -4.278 1.00 0.00 O ATOM 429 OD2 ASP A 29 13.346 0.900 -6.375 1.00 0.00 O ATOM 0 H ASP A 29 12.491 2.894 -3.704 1.00 0.00 H new ATOM 0 HA ASP A 29 9.742 2.765 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.673 1.312 -6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.530 2.830 -6.147 1.00 0.00 H new ATOM 434 N LEU A 30 8.857 0.633 -3.564 1.00 0.00 N ATOM 435 CA LEU A 30 8.342 -0.631 -2.977 1.00 0.00 C ATOM 436 C LEU A 30 8.675 -1.800 -3.904 1.00 0.00 C ATOM 437 O LEU A 30 8.475 -2.949 -3.561 1.00 0.00 O ATOM 438 CB LEU A 30 6.824 -0.540 -2.796 1.00 0.00 C ATOM 439 CG LEU A 30 6.480 0.672 -1.928 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.971 0.708 -1.684 1.00 0.00 C ATOM 441 CD2 LEU A 30 7.211 0.562 -0.588 1.00 0.00 C ATOM 0 H LEU A 30 8.145 1.321 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 30 8.811 -0.791 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.337 -0.454 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.448 -1.451 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 30 6.789 1.585 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.723 1.571 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.450 0.784 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.663 -0.205 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.967 1.425 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.901 -0.350 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.287 0.533 -0.762 1.00 0.00 H new ATOM 453 N VAL A 31 9.175 -1.525 -5.078 1.00 0.00 N ATOM 454 CA VAL A 31 9.506 -2.637 -6.011 1.00 0.00 C ATOM 455 C VAL A 31 10.352 -3.669 -5.270 1.00 0.00 C ATOM 456 O VAL A 31 10.148 -4.860 -5.397 1.00 0.00 O ATOM 457 CB VAL A 31 10.284 -2.092 -7.210 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.720 -1.777 -6.787 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.300 -3.140 -8.325 1.00 0.00 C ATOM 0 H VAL A 31 9.367 -0.587 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 31 8.588 -3.103 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 31 9.804 -1.182 -7.571 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.274 -1.389 -7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.710 -1.031 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.201 -2.686 -6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.854 -2.753 -9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.780 -4.049 -7.963 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.277 -3.365 -8.627 1.00 0.00 H new ATOM 469 N ASP A 32 11.278 -3.225 -4.468 1.00 0.00 N ATOM 470 CA ASP A 32 12.101 -4.191 -3.693 1.00 0.00 C ATOM 471 C ASP A 32 11.144 -5.008 -2.830 1.00 0.00 C ATOM 472 O ASP A 32 11.328 -6.188 -2.604 1.00 0.00 O ATOM 473 CB ASP A 32 13.089 -3.435 -2.801 1.00 0.00 C ATOM 474 CG ASP A 32 14.117 -2.714 -3.675 1.00 0.00 C ATOM 475 OD1 ASP A 32 14.836 -1.882 -3.145 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.168 -3.006 -4.858 1.00 0.00 O ATOM 0 H ASP A 32 11.499 -2.241 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 32 12.671 -4.838 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.557 -2.716 -2.179 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.592 -4.129 -2.127 1.00 0.00 H new ATOM 481 N ASN A 33 10.105 -4.370 -2.369 1.00 0.00 N ATOM 482 CA ASN A 33 9.086 -5.059 -1.537 1.00 0.00 C ATOM 483 C ASN A 33 8.073 -5.734 -2.456 1.00 0.00 C ATOM 484 O ASN A 33 6.982 -6.076 -2.046 1.00 0.00 O ATOM 485 CB ASN A 33 8.371 -4.049 -0.650 1.00 0.00 C ATOM 486 CG ASN A 33 9.363 -3.454 0.346 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.458 -3.954 0.507 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.018 -2.403 1.030 1.00 0.00 N ATOM 0 H ASN A 33 9.918 -3.382 -2.538 1.00 0.00 H new ATOM 0 HA ASN A 33 9.572 -5.803 -0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.934 -3.259 -1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.551 -4.532 -0.118 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.668 -1.997 1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.098 -1.985 0.893 1.00 0.00 H new ATOM 495 N GLY A 34 8.422 -5.900 -3.704 1.00 0.00 N ATOM 496 CA GLY A 34 7.486 -6.535 -4.674 1.00 0.00 C ATOM 497 C GLY A 34 6.788 -7.722 -4.012 1.00 0.00 C ATOM 498 O GLY A 34 5.791 -8.216 -4.496 1.00 0.00 O ATOM 0 H GLY A 34 9.322 -5.621 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.747 -5.808 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.032 -6.868 -5.557 1.00 0.00 H new ATOM 502 N VAL A 35 7.287 -8.177 -2.899 1.00 0.00 N ATOM 503 CA VAL A 35 6.622 -9.316 -2.214 1.00 0.00 C ATOM 504 C VAL A 35 5.140 -8.973 -2.053 1.00 0.00 C ATOM 505 O VAL A 35 4.273 -9.809 -2.213 1.00 0.00 O ATOM 506 CB VAL A 35 7.254 -9.518 -0.833 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.408 -10.497 -0.017 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.667 -10.081 -0.996 1.00 0.00 C ATOM 0 H VAL A 35 8.120 -7.813 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 35 6.738 -10.231 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 35 7.300 -8.560 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.860 -10.638 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.401 -10.097 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.359 -11.455 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.117 -10.225 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.620 -11.037 -1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.273 -9.383 -1.574 1.00 0.00 H new ATOM 518 N ILE A 36 4.852 -7.740 -1.738 1.00 0.00 N ATOM 519 CA ILE A 36 3.435 -7.313 -1.563 1.00 0.00 C ATOM 520 C ILE A 36 2.723 -7.266 -2.917 1.00 0.00 C ATOM 521 O ILE A 36 1.518 -7.354 -2.996 1.00 0.00 O ATOM 522 CB ILE A 36 3.411 -5.907 -0.968 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.049 -5.646 -0.332 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.646 -4.887 -2.082 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.961 -4.184 0.110 1.00 0.00 C ATOM 0 H ILE A 36 5.543 -7.004 -1.593 1.00 0.00 H new ATOM 0 HA ILE A 36 2.932 -8.024 -0.908 1.00 0.00 H new ATOM 0 HB ILE A 36 4.191 -5.818 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.255 -5.870 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.904 -6.305 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.630 -3.881 -1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.615 -5.072 -2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.861 -4.980 -2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.987 -3.999 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.746 -3.976 0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.087 -3.534 -0.756 1.00 0.00 H new ATOM 537 N ASP A 37 3.456 -7.089 -3.975 1.00 0.00 N ATOM 538 CA ASP A 37 2.819 -6.993 -5.322 1.00 0.00 C ATOM 539 C ASP A 37 2.049 -8.270 -5.669 1.00 0.00 C ATOM 540 O ASP A 37 1.067 -8.224 -6.383 1.00 0.00 O ATOM 541 CB ASP A 37 3.891 -6.748 -6.386 1.00 0.00 C ATOM 542 CG ASP A 37 4.526 -5.373 -6.167 1.00 0.00 C ATOM 543 OD1 ASP A 37 5.533 -5.100 -6.800 1.00 0.00 O ATOM 544 OD2 ASP A 37 3.995 -4.618 -5.369 1.00 0.00 O ATOM 0 H ASP A 37 4.473 -7.006 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 37 2.115 -6.161 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.654 -7.525 -6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.449 -6.802 -7.381 1.00 0.00 H new ATOM 549 N SER A 38 2.491 -9.410 -5.209 1.00 0.00 N ATOM 550 CA SER A 38 1.778 -10.671 -5.565 1.00 0.00 C ATOM 551 C SER A 38 0.957 -11.200 -4.387 1.00 0.00 C ATOM 552 O SER A 38 -0.252 -11.283 -4.453 1.00 0.00 O ATOM 553 CB SER A 38 2.804 -11.726 -5.979 1.00 0.00 C ATOM 554 OG SER A 38 2.673 -11.985 -7.383 1.00 0.00 O ATOM 0 H SER A 38 3.307 -9.523 -4.608 1.00 0.00 H new ATOM 0 HA SER A 38 1.095 -10.459 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.812 -11.378 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.649 -12.644 -5.412 1.00 0.00 H new ATOM 559 N LEU A 39 1.599 -11.591 -3.325 1.00 0.00 N ATOM 560 CA LEU A 39 0.846 -12.153 -2.169 1.00 0.00 C ATOM 561 C LEU A 39 0.113 -11.054 -1.403 1.00 0.00 C ATOM 562 O LEU A 39 -1.073 -11.142 -1.154 1.00 0.00 O ATOM 563 CB LEU A 39 1.822 -12.850 -1.228 1.00 0.00 C ATOM 564 CG LEU A 39 2.680 -13.845 -2.010 1.00 0.00 C ATOM 565 CD1 LEU A 39 3.417 -14.747 -1.027 1.00 0.00 C ATOM 566 CD2 LEU A 39 1.798 -14.703 -2.921 1.00 0.00 C ATOM 0 H LEU A 39 2.611 -11.547 -3.206 1.00 0.00 H new ATOM 0 HA LEU A 39 0.109 -12.861 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.459 -12.113 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.274 -13.369 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 39 3.395 -13.297 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.031 -15.460 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.054 -14.140 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.694 -15.287 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.421 -15.407 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.077 -15.253 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.268 -14.061 -3.624 1.00 0.00 H new ATOM 578 N GLY A 40 0.806 -10.027 -1.017 1.00 0.00 N ATOM 579 CA GLY A 40 0.150 -8.930 -0.255 1.00 0.00 C ATOM 580 C GLY A 40 -0.878 -8.221 -1.134 1.00 0.00 C ATOM 581 O GLY A 40 -1.911 -7.785 -0.667 1.00 0.00 O ATOM 0 H GLY A 40 1.802 -9.897 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.336 -9.334 0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.899 -8.217 0.089 1.00 0.00 H new ATOM 585 N LEU A 41 -0.599 -8.086 -2.398 1.00 0.00 N ATOM 586 CA LEU A 41 -1.557 -7.385 -3.297 1.00 0.00 C ATOM 587 C LEU A 41 -2.899 -8.106 -3.256 1.00 0.00 C ATOM 588 O LEU A 41 -3.943 -7.490 -3.192 1.00 0.00 O ATOM 589 CB LEU A 41 -1.007 -7.391 -4.728 1.00 0.00 C ATOM 590 CG LEU A 41 -1.817 -6.433 -5.618 1.00 0.00 C ATOM 591 CD1 LEU A 41 -0.925 -5.918 -6.749 1.00 0.00 C ATOM 592 CD2 LEU A 41 -3.023 -7.159 -6.228 1.00 0.00 C ATOM 0 H LEU A 41 0.249 -8.430 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.689 -6.354 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.042 -7.093 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.050 -8.401 -5.137 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.171 -5.602 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.496 -5.239 -7.382 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.071 -5.389 -6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.572 -6.759 -7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.585 -6.467 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.676 -7.996 -6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.666 -7.530 -5.430 1.00 0.00 H new ATOM 604 N LEU A 42 -2.885 -9.406 -3.276 1.00 0.00 N ATOM 605 CA LEU A 42 -4.170 -10.150 -3.223 1.00 0.00 C ATOM 606 C LEU A 42 -4.859 -9.858 -1.893 1.00 0.00 C ATOM 607 O LEU A 42 -6.047 -9.610 -1.837 1.00 0.00 O ATOM 608 CB LEU A 42 -3.898 -11.650 -3.342 1.00 0.00 C ATOM 609 CG LEU A 42 -3.358 -11.969 -4.734 1.00 0.00 C ATOM 610 CD1 LEU A 42 -3.006 -13.455 -4.816 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.429 -11.645 -5.771 1.00 0.00 C ATOM 0 H LEU A 42 -2.045 -9.983 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.812 -9.836 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.179 -11.960 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.815 -12.211 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.465 -11.374 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.620 -13.683 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.248 -13.691 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.899 -14.051 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.050 -11.870 -6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.318 -12.245 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.685 -10.587 -5.711 1.00 0.00 H new ATOM 623 N LYS A 43 -4.119 -9.878 -0.819 1.00 0.00 N ATOM 624 CA LYS A 43 -4.727 -9.594 0.506 1.00 0.00 C ATOM 625 C LYS A 43 -5.147 -8.122 0.577 1.00 0.00 C ATOM 626 O LYS A 43 -6.194 -7.788 1.095 1.00 0.00 O ATOM 627 CB LYS A 43 -3.705 -9.886 1.600 1.00 0.00 C ATOM 628 CG LYS A 43 -3.379 -11.381 1.611 1.00 0.00 C ATOM 629 CD LYS A 43 -2.445 -11.692 2.782 1.00 0.00 C ATOM 630 CE LYS A 43 -2.022 -13.161 2.722 1.00 0.00 C ATOM 631 NZ LYS A 43 -0.566 -13.246 2.418 1.00 0.00 N ATOM 0 H LYS A 43 -3.119 -10.079 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.605 -10.224 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.798 -9.307 1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.098 -9.582 2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.296 -11.963 1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.908 -11.668 0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.567 -11.048 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.948 -11.486 3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.235 -13.651 3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.595 -13.685 1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.278 -14.244 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.376 -12.793 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.027 -12.760 3.163 1.00 0.00 H new ATOM 645 N VAL A 44 -4.329 -7.241 0.066 1.00 0.00 N ATOM 646 CA VAL A 44 -4.664 -5.788 0.109 1.00 0.00 C ATOM 647 C VAL A 44 -5.868 -5.497 -0.790 1.00 0.00 C ATOM 648 O VAL A 44 -6.794 -4.813 -0.402 1.00 0.00 O ATOM 649 CB VAL A 44 -3.459 -4.983 -0.380 1.00 0.00 C ATOM 650 CG1 VAL A 44 -3.843 -3.508 -0.506 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.312 -5.129 0.621 1.00 0.00 C ATOM 0 H VAL A 44 -3.440 -7.466 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.911 -5.506 1.133 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.143 -5.357 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.983 -2.937 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.661 -3.405 -1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.160 -3.130 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.452 -4.556 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.629 -4.755 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.037 -6.180 0.708 1.00 0.00 H new ATOM 661 N ILE A 45 -5.861 -6.007 -1.988 1.00 0.00 N ATOM 662 CA ILE A 45 -7.001 -5.755 -2.910 1.00 0.00 C ATOM 663 C ILE A 45 -8.285 -6.320 -2.302 1.00 0.00 C ATOM 664 O ILE A 45 -9.318 -5.684 -2.311 1.00 0.00 O ATOM 665 CB ILE A 45 -6.719 -6.432 -4.255 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.084 -5.422 -5.216 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.023 -6.953 -4.859 1.00 0.00 C ATOM 668 CD1 ILE A 45 -4.920 -4.705 -4.528 1.00 0.00 C ATOM 0 H ILE A 45 -5.114 -6.588 -2.369 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.122 -4.683 -3.062 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.036 -7.266 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.729 -5.933 -6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.830 -4.696 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.815 -7.433 -5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.475 -7.677 -4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.711 -6.121 -5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.475 -3.989 -5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.287 -4.179 -3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.169 -5.436 -4.228 1.00 0.00 H new ATOM 680 N ALA A 46 -8.231 -7.511 -1.779 1.00 0.00 N ATOM 681 CA ALA A 46 -9.453 -8.115 -1.180 1.00 0.00 C ATOM 682 C ALA A 46 -9.944 -7.255 -0.014 1.00 0.00 C ATOM 683 O ALA A 46 -11.128 -7.036 0.152 1.00 0.00 O ATOM 684 CB ALA A 46 -9.118 -9.517 -0.667 1.00 0.00 C ATOM 0 H ALA A 46 -7.394 -8.093 -1.740 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.235 -8.171 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.008 -9.966 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.772 -10.135 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.334 -9.451 0.088 1.00 0.00 H new ATOM 690 N TRP A 47 -9.047 -6.768 0.797 1.00 0.00 N ATOM 691 CA TRP A 47 -9.464 -5.928 1.954 1.00 0.00 C ATOM 692 C TRP A 47 -9.816 -4.517 1.479 1.00 0.00 C ATOM 693 O TRP A 47 -10.846 -3.973 1.824 1.00 0.00 O ATOM 694 CB TRP A 47 -8.317 -5.861 2.961 1.00 0.00 C ATOM 695 CG TRP A 47 -8.317 -4.529 3.638 1.00 0.00 C ATOM 696 CD1 TRP A 47 -9.076 -4.199 4.706 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.531 -3.347 3.313 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.804 -2.889 5.056 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.858 -2.322 4.228 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.576 -3.071 2.322 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.256 -1.065 4.162 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -5.967 -1.809 2.251 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.306 -0.808 3.170 1.00 0.00 C ATOM 0 H TRP A 47 -8.042 -6.916 0.708 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.343 -6.369 2.424 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.423 -6.655 3.700 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.366 -6.022 2.454 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.779 -4.850 5.204 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.249 -2.401 5.833 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.308 -3.836 1.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.522 -0.296 4.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.233 -1.609 1.484 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.834 0.162 3.112 1.00 0.00 H new ATOM 714 N LEU A 48 -8.958 -3.915 0.704 1.00 0.00 N ATOM 715 CA LEU A 48 -9.225 -2.534 0.218 1.00 0.00 C ATOM 716 C LEU A 48 -10.496 -2.508 -0.634 1.00 0.00 C ATOM 717 O LEU A 48 -11.298 -1.600 -0.539 1.00 0.00 O ATOM 718 CB LEU A 48 -8.040 -2.075 -0.633 1.00 0.00 C ATOM 719 CG LEU A 48 -8.189 -0.600 -0.985 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.662 0.244 0.169 1.00 0.00 C ATOM 721 CD2 LEU A 48 -7.383 -0.298 -2.249 1.00 0.00 C ATOM 0 H LEU A 48 -8.079 -4.323 0.385 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.359 -1.871 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.109 -2.235 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.984 -2.671 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.239 -0.366 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.766 1.301 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.232 0.023 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.611 0.012 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.487 0.757 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.332 -0.527 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.755 -0.909 -3.072 1.00 0.00 H new ATOM 733 N GLU A 49 -10.683 -3.488 -1.472 1.00 0.00 N ATOM 734 CA GLU A 49 -11.895 -3.505 -2.334 1.00 0.00 C ATOM 735 C GLU A 49 -13.134 -3.789 -1.482 1.00 0.00 C ATOM 736 O GLU A 49 -14.203 -3.268 -1.733 1.00 0.00 O ATOM 737 CB GLU A 49 -11.729 -4.586 -3.405 1.00 0.00 C ATOM 738 CG GLU A 49 -12.080 -5.954 -2.831 1.00 0.00 C ATOM 739 CD GLU A 49 -11.700 -7.042 -3.837 1.00 0.00 C ATOM 740 OE1 GLU A 49 -11.236 -6.694 -4.910 1.00 0.00 O ATOM 741 OE2 GLU A 49 -11.883 -8.206 -3.519 1.00 0.00 O ATOM 0 H GLU A 49 -10.049 -4.277 -1.597 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.020 -2.535 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.372 -4.365 -4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.703 -4.590 -3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.551 -6.112 -1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.146 -6.005 -2.610 1.00 0.00 H new ATOM 748 N ASP A 50 -13.002 -4.613 -0.481 1.00 0.00 N ATOM 749 CA ASP A 50 -14.174 -4.932 0.380 1.00 0.00 C ATOM 750 C ASP A 50 -14.685 -3.662 1.064 1.00 0.00 C ATOM 751 O ASP A 50 -15.874 -3.436 1.167 1.00 0.00 O ATOM 752 CB ASP A 50 -13.757 -5.946 1.443 1.00 0.00 C ATOM 753 CG ASP A 50 -14.996 -6.441 2.192 1.00 0.00 C ATOM 754 OD1 ASP A 50 -14.829 -7.178 3.150 1.00 0.00 O ATOM 755 OD2 ASP A 50 -16.090 -6.075 1.795 1.00 0.00 O ATOM 0 H ASP A 50 -12.133 -5.080 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.969 -5.348 -0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.241 -6.786 0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.056 -5.489 2.141 1.00 0.00 H new ATOM 760 N ARG A 51 -13.796 -2.837 1.540 1.00 0.00 N ATOM 761 CA ARG A 51 -14.226 -1.589 2.227 1.00 0.00 C ATOM 762 C ARG A 51 -14.955 -0.651 1.262 1.00 0.00 C ATOM 763 O ARG A 51 -15.913 -0.001 1.631 1.00 0.00 O ATOM 764 CB ARG A 51 -13.002 -0.875 2.799 1.00 0.00 C ATOM 765 CG ARG A 51 -12.483 -1.636 4.019 1.00 0.00 C ATOM 766 CD ARG A 51 -11.383 -0.817 4.698 1.00 0.00 C ATOM 767 NE ARG A 51 -10.834 -1.580 5.853 1.00 0.00 N ATOM 768 CZ ARG A 51 -10.194 -0.954 6.803 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.715 -1.622 7.817 1.00 0.00 N ATOM 770 NH2 ARG A 51 -10.030 0.339 6.737 1.00 0.00 N ATOM 0 H ARG A 51 -12.787 -2.974 1.483 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.912 -1.859 3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.221 -0.808 2.041 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.263 0.146 3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.298 -1.822 4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.094 -2.608 3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.589 -0.594 3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.784 0.138 5.037 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.958 -2.591 5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.841 -2.633 7.867 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.215 -1.133 8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.402 0.860 5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.530 0.828 7.479 1.00 0.00 H new ATOM 784 N PHE A 52 -14.509 -0.555 0.038 1.00 0.00 N ATOM 785 CA PHE A 52 -15.180 0.362 -0.921 1.00 0.00 C ATOM 786 C PHE A 52 -16.066 -0.433 -1.882 1.00 0.00 C ATOM 787 O PHE A 52 -16.776 0.129 -2.692 1.00 0.00 O ATOM 788 CB PHE A 52 -14.109 1.122 -1.701 1.00 0.00 C ATOM 789 CG PHE A 52 -13.372 2.045 -0.763 1.00 0.00 C ATOM 790 CD1 PHE A 52 -13.882 3.320 -0.493 1.00 0.00 C ATOM 791 CD2 PHE A 52 -12.181 1.625 -0.159 1.00 0.00 C ATOM 792 CE1 PHE A 52 -13.201 4.176 0.381 1.00 0.00 C ATOM 793 CE2 PHE A 52 -11.500 2.481 0.715 1.00 0.00 C ATOM 794 CZ PHE A 52 -12.010 3.756 0.985 1.00 0.00 C ATOM 0 H PHE A 52 -13.712 -1.071 -0.336 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.811 1.065 -0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.413 0.422 -2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.567 1.694 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.801 3.644 -0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.788 0.641 -0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.594 5.160 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.581 2.157 1.181 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.485 4.416 1.659 1.00 0.00 H new ATOM 804 N GLY A 53 -16.040 -1.734 -1.797 1.00 0.00 N ATOM 805 CA GLY A 53 -16.894 -2.551 -2.705 1.00 0.00 C ATOM 806 C GLY A 53 -16.484 -2.297 -4.155 1.00 0.00 C ATOM 807 O GLY A 53 -17.308 -2.277 -5.048 1.00 0.00 O ATOM 0 H GLY A 53 -15.467 -2.265 -1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.789 -3.609 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.944 -2.295 -2.562 1.00 0.00 H new ATOM 811 N ILE A 54 -15.219 -2.095 -4.399 1.00 0.00 N ATOM 812 CA ILE A 54 -14.764 -1.833 -5.797 1.00 0.00 C ATOM 813 C ILE A 54 -14.415 -3.154 -6.486 1.00 0.00 C ATOM 814 O ILE A 54 -13.851 -4.045 -5.890 1.00 0.00 O ATOM 815 CB ILE A 54 -13.525 -0.939 -5.767 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.867 0.379 -5.073 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.064 -0.655 -7.198 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.578 1.135 -4.746 1.00 0.00 C ATOM 0 H ILE A 54 -14.481 -2.100 -3.695 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.564 -1.339 -6.348 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.727 -1.443 -5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.504 0.986 -5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.429 0.186 -4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.180 -0.017 -7.176 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.821 -1.594 -7.695 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.862 -0.151 -7.744 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.823 2.075 -4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.958 0.528 -4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.033 1.341 -5.667 1.00 0.00 H new ATOM 830 N ALA A 55 -14.742 -3.287 -7.741 1.00 0.00 N ATOM 831 CA ALA A 55 -14.416 -4.551 -8.458 1.00 0.00 C ATOM 832 C ALA A 55 -12.901 -4.634 -8.652 1.00 0.00 C ATOM 833 O ALA A 55 -12.259 -3.666 -9.010 1.00 0.00 O ATOM 834 CB ALA A 55 -15.109 -4.559 -9.822 1.00 0.00 C ATOM 0 H ALA A 55 -15.219 -2.579 -8.299 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.761 -5.406 -7.876 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.870 -5.484 -10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.188 -4.489 -9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.764 -3.709 -10.411 1.00 0.00 H new ATOM 840 N ALA A 56 -12.320 -5.779 -8.418 1.00 0.00 N ATOM 841 CA ALA A 56 -10.846 -5.909 -8.590 1.00 0.00 C ATOM 842 C ALA A 56 -10.481 -5.677 -10.058 1.00 0.00 C ATOM 843 O ALA A 56 -9.448 -5.119 -10.371 1.00 0.00 O ATOM 844 CB ALA A 56 -10.402 -7.311 -8.169 1.00 0.00 C ATOM 0 H ALA A 56 -12.800 -6.627 -8.116 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.342 -5.168 -7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.323 -7.404 -8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.660 -7.476 -7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.906 -8.053 -8.788 1.00 0.00 H new ATOM 850 N ASP A 57 -11.323 -6.101 -10.959 1.00 0.00 N ATOM 851 CA ASP A 57 -11.034 -5.909 -12.405 1.00 0.00 C ATOM 852 C ASP A 57 -11.042 -4.415 -12.748 1.00 0.00 C ATOM 853 O ASP A 57 -10.410 -3.983 -13.691 1.00 0.00 O ATOM 854 CB ASP A 57 -12.087 -6.648 -13.236 1.00 0.00 C ATOM 855 CG ASP A 57 -13.481 -6.077 -12.957 1.00 0.00 C ATOM 856 OD1 ASP A 57 -13.563 -5.047 -12.313 1.00 0.00 O ATOM 857 OD2 ASP A 57 -14.444 -6.684 -13.395 1.00 0.00 O ATOM 0 H ASP A 57 -12.203 -6.574 -10.753 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.048 -6.313 -12.634 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.854 -6.555 -14.297 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.068 -7.711 -12.998 1.00 0.00 H new ATOM 862 N ASP A 58 -11.756 -3.625 -11.995 1.00 0.00 N ATOM 863 CA ASP A 58 -11.807 -2.163 -12.283 1.00 0.00 C ATOM 864 C ASP A 58 -10.387 -1.597 -12.341 1.00 0.00 C ATOM 865 O ASP A 58 -10.095 -0.713 -13.121 1.00 0.00 O ATOM 866 CB ASP A 58 -12.592 -1.455 -11.180 1.00 0.00 C ATOM 867 CG ASP A 58 -12.850 -0.003 -11.587 1.00 0.00 C ATOM 868 OD1 ASP A 58 -12.520 0.344 -12.709 1.00 0.00 O ATOM 869 OD2 ASP A 58 -13.373 0.737 -10.770 1.00 0.00 O ATOM 0 H ASP A 58 -12.307 -3.928 -11.192 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.298 -2.002 -13.243 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.538 -1.968 -11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.034 -1.488 -10.244 1.00 0.00 H new ATOM 874 N VAL A 59 -9.506 -2.098 -11.519 1.00 0.00 N ATOM 875 CA VAL A 59 -8.104 -1.589 -11.519 1.00 0.00 C ATOM 876 C VAL A 59 -7.162 -2.672 -12.048 1.00 0.00 C ATOM 877 O VAL A 59 -7.274 -3.831 -11.699 1.00 0.00 O ATOM 878 CB VAL A 59 -7.699 -1.216 -10.095 1.00 0.00 C ATOM 879 CG1 VAL A 59 -6.298 -0.600 -10.104 1.00 0.00 C ATOM 880 CG2 VAL A 59 -8.697 -0.203 -9.530 1.00 0.00 C ATOM 0 H VAL A 59 -9.697 -2.840 -10.845 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.040 -0.710 -12.160 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.697 -2.111 -9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.011 -0.334 -9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.586 -1.321 -10.506 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.298 0.295 -10.726 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.408 0.064 -8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.700 0.691 -10.153 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.695 -0.642 -9.521 1.00 0.00 H new ATOM 890 N GLU A 60 -6.232 -2.304 -12.887 1.00 0.00 N ATOM 891 CA GLU A 60 -5.281 -3.311 -13.437 1.00 0.00 C ATOM 892 C GLU A 60 -4.081 -3.438 -12.498 1.00 0.00 C ATOM 893 O GLU A 60 -3.620 -2.468 -11.929 1.00 0.00 O ATOM 894 CB GLU A 60 -4.803 -2.864 -14.820 1.00 0.00 C ATOM 895 CG GLU A 60 -3.936 -3.956 -15.436 1.00 0.00 C ATOM 896 CD GLU A 60 -3.379 -3.474 -16.776 1.00 0.00 C ATOM 897 OE1 GLU A 60 -2.681 -4.243 -17.416 1.00 0.00 O ATOM 898 OE2 GLU A 60 -3.661 -2.345 -17.141 1.00 0.00 O ATOM 0 H GLU A 60 -6.090 -1.349 -13.215 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.781 -4.275 -13.523 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.659 -2.658 -15.463 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.235 -1.937 -14.738 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.119 -4.209 -14.761 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.523 -4.863 -15.580 1.00 0.00 H new ATOM 905 N LEU A 61 -3.575 -4.628 -12.324 1.00 0.00 N ATOM 906 CA LEU A 61 -2.413 -4.816 -11.413 1.00 0.00 C ATOM 907 C LEU A 61 -1.111 -4.735 -12.214 1.00 0.00 C ATOM 908 O LEU A 61 -0.986 -5.316 -13.274 1.00 0.00 O ATOM 909 CB LEU A 61 -2.514 -6.190 -10.748 1.00 0.00 C ATOM 910 CG LEU A 61 -3.898 -6.352 -10.124 1.00 0.00 C ATOM 911 CD1 LEU A 61 -3.958 -7.668 -9.347 1.00 0.00 C ATOM 912 CD2 LEU A 61 -4.172 -5.183 -9.176 1.00 0.00 C ATOM 0 H LEU A 61 -3.917 -5.477 -12.774 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.417 -4.035 -10.652 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.341 -6.976 -11.483 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.744 -6.293 -9.983 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.652 -6.363 -10.911 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.946 -7.783 -8.902 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.766 -8.500 -10.025 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.204 -7.660 -8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.160 -5.299 -8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.419 -5.169 -8.388 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.133 -4.246 -9.732 1.00 0.00 H new ATOM 924 N SER A 62 -0.137 -4.025 -11.712 1.00 0.00 N ATOM 925 CA SER A 62 1.158 -3.915 -12.440 1.00 0.00 C ATOM 926 C SER A 62 2.243 -3.426 -11.472 1.00 0.00 C ATOM 927 O SER A 62 1.962 -2.706 -10.534 1.00 0.00 O ATOM 928 CB SER A 62 1.014 -2.920 -13.591 1.00 0.00 C ATOM 929 OG SER A 62 1.448 -3.532 -14.798 1.00 0.00 O ATOM 0 H SER A 62 -0.183 -3.517 -10.829 1.00 0.00 H new ATOM 0 HA SER A 62 1.437 -4.890 -12.839 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.024 -2.602 -13.684 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.605 -2.026 -13.390 1.00 0.00 H new ATOM 0 HG SER A 62 1.355 -2.897 -15.539 1.00 0.00 H new ATOM 935 N PRO A 63 3.475 -3.810 -11.697 1.00 0.00 N ATOM 936 CA PRO A 63 4.615 -3.396 -10.827 1.00 0.00 C ATOM 937 C PRO A 63 4.825 -1.879 -10.837 1.00 0.00 C ATOM 938 O PRO A 63 5.329 -1.304 -9.893 1.00 0.00 O ATOM 939 CB PRO A 63 5.831 -4.109 -11.430 1.00 0.00 C ATOM 940 CG PRO A 63 5.433 -4.492 -12.816 1.00 0.00 C ATOM 941 CD PRO A 63 3.918 -4.671 -12.802 1.00 0.00 C ATOM 0 HA PRO A 63 4.438 -3.659 -9.784 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.702 -3.454 -11.440 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.099 -4.988 -10.844 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.725 -3.722 -13.530 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.929 -5.414 -13.121 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.470 -4.369 -13.749 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.639 -5.712 -12.635 1.00 0.00 H new ATOM 949 N GLU A 64 4.443 -1.231 -11.902 1.00 0.00 N ATOM 950 CA GLU A 64 4.618 0.247 -11.985 1.00 0.00 C ATOM 951 C GLU A 64 3.771 0.929 -10.909 1.00 0.00 C ATOM 952 O GLU A 64 4.114 1.983 -10.412 1.00 0.00 O ATOM 953 CB GLU A 64 4.178 0.734 -13.364 1.00 0.00 C ATOM 954 CG GLU A 64 5.096 0.149 -14.431 1.00 0.00 C ATOM 955 CD GLU A 64 4.698 0.692 -15.804 1.00 0.00 C ATOM 956 OE1 GLU A 64 3.665 1.336 -15.888 1.00 0.00 O ATOM 957 OE2 GLU A 64 5.433 0.456 -16.749 1.00 0.00 O ATOM 0 H GLU A 64 4.016 -1.662 -12.722 1.00 0.00 H new ATOM 0 HA GLU A 64 5.668 0.495 -11.828 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.147 0.436 -13.554 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.207 1.823 -13.402 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.133 0.406 -14.214 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.029 -0.939 -14.426 1.00 0.00 H new ATOM 964 N HIS A 65 2.664 0.340 -10.551 1.00 0.00 N ATOM 965 CA HIS A 65 1.792 0.960 -9.513 1.00 0.00 C ATOM 966 C HIS A 65 2.501 0.930 -8.157 1.00 0.00 C ATOM 967 O HIS A 65 2.253 1.753 -7.298 1.00 0.00 O ATOM 968 CB HIS A 65 0.481 0.177 -9.419 1.00 0.00 C ATOM 969 CG HIS A 65 -0.439 0.853 -8.441 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.991 2.102 -8.687 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.915 0.467 -7.212 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.760 2.421 -7.630 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.747 1.458 -6.706 1.00 0.00 N ATOM 0 H HIS A 65 2.325 -0.543 -10.932 1.00 0.00 H new ATOM 0 HA HIS A 65 1.583 1.994 -9.787 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.008 0.120 -10.399 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.679 -0.847 -9.101 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.679 -0.463 -6.716 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.318 3.341 -7.540 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.244 1.451 -5.815 1.00 0.00 H new ATOM 982 N PHE A 66 3.378 -0.014 -7.956 1.00 0.00 N ATOM 983 CA PHE A 66 4.099 -0.101 -6.654 1.00 0.00 C ATOM 984 C PHE A 66 5.519 0.448 -6.812 1.00 0.00 C ATOM 985 O PHE A 66 6.349 0.305 -5.937 1.00 0.00 O ATOM 986 CB PHE A 66 4.160 -1.562 -6.208 1.00 0.00 C ATOM 987 CG PHE A 66 2.756 -2.073 -5.992 1.00 0.00 C ATOM 988 CD1 PHE A 66 2.151 -1.950 -4.735 1.00 0.00 C ATOM 989 CD2 PHE A 66 2.057 -2.663 -7.051 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.847 -2.419 -4.538 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.753 -3.132 -6.853 1.00 0.00 C ATOM 992 CZ PHE A 66 0.148 -3.011 -5.597 1.00 0.00 C ATOM 0 H PHE A 66 3.627 -0.730 -8.638 1.00 0.00 H new ATOM 0 HA PHE A 66 3.570 0.488 -5.905 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.667 -2.164 -6.962 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.738 -1.650 -5.288 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.690 -1.494 -3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.523 -2.756 -8.021 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.380 -2.324 -3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.213 -3.588 -7.670 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.858 -3.374 -5.445 1.00 0.00 H new ATOM 1002 N ARG A 67 5.806 1.071 -7.921 1.00 0.00 N ATOM 1003 CA ARG A 67 7.175 1.621 -8.131 1.00 0.00 C ATOM 1004 C ARG A 67 7.544 2.536 -6.959 1.00 0.00 C ATOM 1005 O ARG A 67 8.668 2.543 -6.499 1.00 0.00 O ATOM 1006 CB ARG A 67 7.204 2.422 -9.440 1.00 0.00 C ATOM 1007 CG ARG A 67 8.628 2.898 -9.747 1.00 0.00 C ATOM 1008 CD ARG A 67 9.431 1.770 -10.403 1.00 0.00 C ATOM 1009 NE ARG A 67 10.807 2.254 -10.706 1.00 0.00 N ATOM 1010 CZ ARG A 67 11.664 2.432 -9.738 1.00 0.00 C ATOM 1011 NH1 ARG A 67 12.870 2.856 -10.003 1.00 0.00 N ATOM 1012 NH2 ARG A 67 11.317 2.185 -8.505 1.00 0.00 N ATOM 0 H ARG A 67 5.153 1.223 -8.690 1.00 0.00 H new ATOM 0 HA ARG A 67 7.893 0.803 -8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.836 1.804 -10.259 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.536 3.280 -9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.596 3.764 -10.408 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.119 3.217 -8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.475 0.907 -9.739 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.939 1.443 -11.319 1.00 0.00 H new ATOM 0 HE ARG A 67 11.079 2.446 -11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.143 3.048 -10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.540 2.995 -9.246 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.375 1.853 -8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.987 2.324 -7.749 1.00 0.00 H new ATOM 1026 N SER A 68 6.611 3.307 -6.470 1.00 0.00 N ATOM 1027 CA SER A 68 6.922 4.214 -5.327 1.00 0.00 C ATOM 1028 C SER A 68 5.683 4.382 -4.444 1.00 0.00 C ATOM 1029 O SER A 68 4.562 4.285 -4.904 1.00 0.00 O ATOM 1030 CB SER A 68 7.352 5.579 -5.864 1.00 0.00 C ATOM 1031 OG SER A 68 6.235 6.221 -6.465 1.00 0.00 O ATOM 0 H SER A 68 5.650 3.349 -6.810 1.00 0.00 H new ATOM 0 HA SER A 68 7.729 3.782 -4.735 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.747 6.193 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.153 5.460 -6.593 1.00 0.00 H new ATOM 0 HG SER A 68 6.507 7.097 -6.809 1.00 0.00 H new ATOM 1037 N ILE A 69 5.877 4.638 -3.178 1.00 0.00 N ATOM 1038 CA ILE A 69 4.723 4.819 -2.262 1.00 0.00 C ATOM 1039 C ILE A 69 3.947 6.082 -2.645 1.00 0.00 C ATOM 1040 O ILE A 69 2.736 6.128 -2.561 1.00 0.00 O ATOM 1041 CB ILE A 69 5.245 4.958 -0.833 1.00 0.00 C ATOM 1042 CG1 ILE A 69 6.033 3.711 -0.453 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.074 5.106 0.123 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.734 3.934 0.888 1.00 0.00 C ATOM 0 H ILE A 69 6.793 4.729 -2.740 1.00 0.00 H new ATOM 0 HA ILE A 69 4.059 3.958 -2.336 1.00 0.00 H new ATOM 0 HB ILE A 69 5.888 5.836 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.365 2.853 -0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.768 3.484 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.447 5.205 1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.499 5.993 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.435 4.226 0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.297 3.040 1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.415 4.781 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.990 4.140 1.658 1.00 0.00 H new ATOM 1056 N ARG A 70 4.638 7.112 -3.051 1.00 0.00 N ATOM 1057 CA ARG A 70 3.943 8.377 -3.423 1.00 0.00 C ATOM 1058 C ARG A 70 2.992 8.131 -4.596 1.00 0.00 C ATOM 1059 O ARG A 70 1.909 8.680 -4.650 1.00 0.00 O ATOM 1060 CB ARG A 70 4.981 9.428 -3.822 1.00 0.00 C ATOM 1061 CG ARG A 70 5.854 9.767 -2.612 1.00 0.00 C ATOM 1062 CD ARG A 70 6.811 10.904 -2.975 1.00 0.00 C ATOM 1063 NE ARG A 70 7.621 10.511 -4.162 1.00 0.00 N ATOM 1064 CZ ARG A 70 8.648 11.232 -4.519 1.00 0.00 C ATOM 1065 NH1 ARG A 70 9.357 10.887 -5.559 1.00 0.00 N ATOM 1066 NH2 ARG A 70 8.967 12.297 -3.836 1.00 0.00 N ATOM 0 H ARG A 70 5.654 7.132 -3.141 1.00 0.00 H new ATOM 0 HA ARG A 70 3.368 8.732 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.600 9.052 -4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.483 10.326 -4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.228 10.060 -1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.418 8.888 -2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.248 11.813 -3.190 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.465 11.126 -2.132 1.00 0.00 H new ATOM 0 HE ARG A 70 7.373 9.678 -4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.108 10.054 -6.092 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.160 11.450 -5.838 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.413 12.566 -3.023 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.770 12.860 -4.115 1.00 0.00 H new ATOM 1080 N SER A 71 3.381 7.318 -5.539 1.00 0.00 N ATOM 1081 CA SER A 71 2.490 7.056 -6.700 1.00 0.00 C ATOM 1082 C SER A 71 1.202 6.386 -6.217 1.00 0.00 C ATOM 1083 O SER A 71 0.120 6.694 -6.677 1.00 0.00 O ATOM 1084 CB SER A 71 3.207 6.132 -7.683 1.00 0.00 C ATOM 1085 OG SER A 71 3.341 4.842 -7.103 1.00 0.00 O ATOM 0 H SER A 71 4.274 6.826 -5.555 1.00 0.00 H new ATOM 0 HA SER A 71 2.244 7.997 -7.192 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.645 6.068 -8.615 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.189 6.536 -7.930 1.00 0.00 H new ATOM 0 HG SER A 71 4.015 4.871 -6.393 1.00 0.00 H new ATOM 1091 N ILE A 72 1.307 5.475 -5.289 1.00 0.00 N ATOM 1092 CA ILE A 72 0.096 4.791 -4.772 1.00 0.00 C ATOM 1093 C ILE A 72 -0.760 5.783 -3.981 1.00 0.00 C ATOM 1094 O ILE A 72 -1.972 5.784 -4.071 1.00 0.00 O ATOM 1095 CB ILE A 72 0.528 3.646 -3.859 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.400 2.666 -4.647 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -0.708 2.923 -3.339 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.940 1.590 -3.703 1.00 0.00 C ATOM 0 H ILE A 72 2.186 5.176 -4.867 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.490 4.401 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 72 1.099 4.043 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.818 2.206 -5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.226 3.197 -5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.403 2.105 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.329 3.622 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.277 2.525 -4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.561 0.892 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.537 2.059 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.107 1.052 -3.251 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.136 6.620 -3.198 1.00 0.00 N ATOM 1111 CA ASP A 73 -0.907 7.606 -2.388 1.00 0.00 C ATOM 1112 C ASP A 73 -1.734 8.510 -3.305 1.00 0.00 C ATOM 1113 O ASP A 73 -2.866 8.837 -3.009 1.00 0.00 O ATOM 1114 CB ASP A 73 0.068 8.465 -1.579 1.00 0.00 C ATOM 1115 CG ASP A 73 -0.714 9.340 -0.598 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -0.106 10.211 0.002 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -1.906 9.122 -0.461 1.00 0.00 O ATOM 0 H ASP A 73 0.877 6.664 -3.084 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.578 7.070 -1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.767 7.828 -1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.660 9.090 -2.248 1.00 0.00 H new ATOM 1122 N ALA A 74 -1.179 8.926 -4.410 1.00 0.00 N ATOM 1123 CA ALA A 74 -1.939 9.818 -5.330 1.00 0.00 C ATOM 1124 C ALA A 74 -3.130 9.065 -5.923 1.00 0.00 C ATOM 1125 O ALA A 74 -4.221 9.589 -6.018 1.00 0.00 O ATOM 1126 CB ALA A 74 -1.020 10.289 -6.459 1.00 0.00 C ATOM 0 H ALA A 74 -0.235 8.688 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.304 10.680 -4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.576 10.942 -7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.177 10.836 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.652 9.425 -7.013 1.00 0.00 H new ATOM 1132 N PHE A 75 -2.932 7.841 -6.324 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.060 7.066 -6.911 1.00 0.00 C ATOM 1134 C PHE A 75 -5.159 6.897 -5.862 1.00 0.00 C ATOM 1135 O PHE A 75 -6.319 7.170 -6.110 1.00 0.00 O ATOM 1136 CB PHE A 75 -3.560 5.691 -7.349 1.00 0.00 C ATOM 1137 CG PHE A 75 -4.665 4.959 -8.073 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -4.868 5.176 -9.441 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.485 4.064 -7.376 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -5.892 4.498 -10.112 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.509 3.386 -8.048 1.00 0.00 C ATOM 1142 CZ PHE A 75 -6.713 3.603 -9.416 1.00 0.00 C ATOM 0 H PHE A 75 -2.042 7.345 -6.271 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.458 7.599 -7.774 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.693 5.798 -8.001 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.237 5.116 -6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.235 5.866 -9.978 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.328 3.897 -6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.049 4.665 -11.167 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.142 2.695 -7.511 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.503 3.080 -9.934 1.00 0.00 H new ATOM 1152 N VAL A 76 -4.805 6.453 -4.688 1.00 0.00 N ATOM 1153 CA VAL A 76 -5.821 6.270 -3.625 1.00 0.00 C ATOM 1154 C VAL A 76 -6.391 7.632 -3.224 1.00 0.00 C ATOM 1155 O VAL A 76 -7.584 7.798 -3.087 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.161 5.607 -2.418 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.139 5.596 -1.249 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.778 4.169 -2.774 1.00 0.00 C ATOM 0 H VAL A 76 -3.851 6.209 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.632 5.639 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.266 6.164 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.670 5.123 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.415 6.620 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.033 5.037 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.307 3.694 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.673 3.612 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.081 4.175 -3.612 1.00 0.00 H new ATOM 1168 N VAL A 77 -5.548 8.614 -3.045 1.00 0.00 N ATOM 1169 CA VAL A 77 -6.046 9.959 -2.660 1.00 0.00 C ATOM 1170 C VAL A 77 -6.993 10.479 -3.740 1.00 0.00 C ATOM 1171 O VAL A 77 -8.001 11.093 -3.456 1.00 0.00 O ATOM 1172 CB VAL A 77 -4.858 10.909 -2.523 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -5.365 12.342 -2.414 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -4.063 10.554 -1.266 1.00 0.00 C ATOM 0 H VAL A 77 -4.536 8.539 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.580 9.898 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.215 10.815 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.518 13.021 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.932 12.596 -3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.008 12.435 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.215 11.232 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.706 10.648 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.701 9.529 -1.342 1.00 0.00 H new ATOM 1184 N GLY A 78 -6.670 10.241 -4.979 1.00 0.00 N ATOM 1185 CA GLY A 78 -7.541 10.724 -6.083 1.00 0.00 C ATOM 1186 C GLY A 78 -8.955 10.160 -5.925 1.00 0.00 C ATOM 1187 O GLY A 78 -9.924 10.799 -6.285 1.00 0.00 O ATOM 0 H GLY A 78 -5.838 9.731 -5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.574 11.814 -6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.125 10.420 -7.044 1.00 0.00 H new ATOM 1191 N ALA A 79 -9.088 8.966 -5.403 1.00 0.00 N ATOM 1192 CA ALA A 79 -10.451 8.378 -5.247 1.00 0.00 C ATOM 1193 C ALA A 79 -10.898 8.433 -3.784 1.00 0.00 C ATOM 1194 O ALA A 79 -11.989 8.871 -3.477 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.428 6.921 -5.713 1.00 0.00 C ATOM 0 H ALA A 79 -8.319 8.379 -5.081 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.153 8.954 -5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.422 6.487 -5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.130 6.879 -6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.716 6.357 -5.110 1.00 0.00 H new ATOM 1201 N THR A 80 -10.071 7.992 -2.880 1.00 0.00 N ATOM 1202 CA THR A 80 -10.461 8.021 -1.441 1.00 0.00 C ATOM 1203 C THR A 80 -9.212 7.927 -0.561 1.00 0.00 C ATOM 1204 O THR A 80 -8.212 7.360 -0.947 1.00 0.00 O ATOM 1205 CB THR A 80 -11.387 6.839 -1.145 1.00 0.00 C ATOM 1206 OG1 THR A 80 -11.985 7.016 0.131 1.00 0.00 O ATOM 1207 CG2 THR A 80 -10.581 5.539 -1.161 1.00 0.00 C ATOM 0 H THR A 80 -9.144 7.613 -3.073 1.00 0.00 H new ATOM 0 HA THR A 80 -10.979 8.956 -1.225 1.00 0.00 H new ATOM 0 HB THR A 80 -12.166 6.787 -1.906 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.161 6.140 0.534 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.242 4.698 -0.950 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.126 5.405 -2.142 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.800 5.586 -0.402 1.00 0.00 H new ATOM 1215 N THR A 81 -9.267 8.470 0.624 1.00 0.00 N ATOM 1216 CA THR A 81 -8.089 8.407 1.533 1.00 0.00 C ATOM 1217 C THR A 81 -8.546 7.936 2.921 1.00 0.00 C ATOM 1218 O THR A 81 -8.911 8.733 3.763 1.00 0.00 O ATOM 1219 CB THR A 81 -7.463 9.800 1.635 1.00 0.00 C ATOM 1220 OG1 THR A 81 -6.283 9.732 2.423 1.00 0.00 O ATOM 1221 CG2 THR A 81 -8.458 10.765 2.281 1.00 0.00 C ATOM 0 H THR A 81 -10.080 8.956 1.003 1.00 0.00 H new ATOM 0 HA THR A 81 -7.351 7.706 1.142 1.00 0.00 H new ATOM 0 HB THR A 81 -7.212 10.158 0.637 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.499 9.868 1.851 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.010 11.756 2.352 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.361 10.818 1.673 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.714 10.410 3.279 1.00 0.00 H new ATOM 1229 N PRO A 82 -8.540 6.646 3.153 1.00 0.00 N ATOM 1230 CA PRO A 82 -8.970 6.049 4.446 1.00 0.00 C ATOM 1231 C PRO A 82 -7.807 5.861 5.437 1.00 0.00 C ATOM 1232 O PRO A 82 -6.918 5.069 5.198 1.00 0.00 O ATOM 1233 CB PRO A 82 -9.496 4.686 4.008 1.00 0.00 C ATOM 1234 CG PRO A 82 -8.646 4.299 2.837 1.00 0.00 C ATOM 1235 CD PRO A 82 -8.126 5.599 2.207 1.00 0.00 C ATOM 0 HA PRO A 82 -9.687 6.679 4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.415 3.955 4.813 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.549 4.740 3.731 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.817 3.667 3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.225 3.725 2.114 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.043 5.578 2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.555 5.762 1.218 1.00 0.00 H new ATOM 1243 N PRO A 83 -7.809 6.564 6.548 1.00 0.00 N ATOM 1244 CA PRO A 83 -6.732 6.432 7.567 1.00 0.00 C ATOM 1245 C PRO A 83 -6.913 5.177 8.428 1.00 0.00 C ATOM 1246 O PRO A 83 -7.996 4.892 8.900 1.00 0.00 O ATOM 1247 CB PRO A 83 -6.878 7.693 8.417 1.00 0.00 C ATOM 1248 CG PRO A 83 -8.310 8.099 8.292 1.00 0.00 C ATOM 1249 CD PRO A 83 -8.824 7.552 6.956 1.00 0.00 C ATOM 0 HA PRO A 83 -5.747 6.332 7.111 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.616 7.497 9.457 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.215 8.483 8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.896 7.702 9.121 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.406 9.184 8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.805 7.091 7.067 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.927 8.345 6.215 1.00 0.00 H new ATOM 1257 N VAL A 84 -5.863 4.426 8.634 1.00 0.00 N ATOM 1258 CA VAL A 84 -5.975 3.190 9.463 1.00 0.00 C ATOM 1259 C VAL A 84 -4.933 3.226 10.584 1.00 0.00 C ATOM 1260 O VAL A 84 -3.777 3.525 10.360 1.00 0.00 O ATOM 1261 CB VAL A 84 -5.731 1.964 8.581 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -5.980 0.691 9.392 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -6.685 2.000 7.385 1.00 0.00 C ATOM 0 H VAL A 84 -4.932 4.616 8.263 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.973 3.135 9.899 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.700 1.972 8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.806 -0.181 8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.302 0.664 10.245 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.010 0.682 9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.512 1.127 6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.715 1.993 7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.508 2.906 6.805 1.00 0.00 H new ATOM 1273 N GLU A 85 -5.332 2.919 11.789 1.00 0.00 N ATOM 1274 CA GLU A 85 -4.362 2.932 12.921 1.00 0.00 C ATOM 1275 C GLU A 85 -3.302 1.851 12.696 1.00 0.00 C ATOM 1276 O GLU A 85 -2.144 2.027 13.019 1.00 0.00 O ATOM 1277 CB GLU A 85 -5.103 2.654 14.231 1.00 0.00 C ATOM 1278 CG GLU A 85 -6.086 3.792 14.514 1.00 0.00 C ATOM 1279 CD GLU A 85 -6.779 3.546 15.855 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -7.471 4.439 16.314 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -6.605 2.468 16.401 1.00 0.00 O ATOM 0 H GLU A 85 -6.287 2.660 12.038 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.880 3.908 12.976 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.637 1.706 14.165 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.391 2.562 15.051 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.559 4.746 14.535 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.826 3.854 13.716 1.00 0.00 H new ATOM 1288 N ALA A 86 -3.690 0.734 12.143 1.00 0.00 N ATOM 1289 CA ALA A 86 -2.707 -0.359 11.895 1.00 0.00 C ATOM 1290 C ALA A 86 -3.145 -1.166 10.672 1.00 0.00 C ATOM 1291 O ALA A 86 -4.317 -1.256 10.365 1.00 0.00 O ATOM 1292 CB ALA A 86 -2.644 -1.277 13.118 1.00 0.00 C ATOM 0 H ALA A 86 -4.646 0.531 11.852 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.722 0.071 11.714 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.925 -2.076 12.936 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.334 -0.701 13.990 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.628 -1.709 13.300 1.00 0.00 H new ATOM 1298 N LYS A 87 -2.216 -1.754 9.969 1.00 0.00 N ATOM 1299 CA LYS A 87 -2.590 -2.551 8.767 1.00 0.00 C ATOM 1300 C LYS A 87 -3.531 -3.686 9.175 1.00 0.00 C ATOM 1301 O LYS A 87 -4.452 -4.028 8.460 1.00 0.00 O ATOM 1302 CB LYS A 87 -1.333 -3.137 8.122 1.00 0.00 C ATOM 1303 CG LYS A 87 -1.710 -3.791 6.792 1.00 0.00 C ATOM 1304 CD LYS A 87 -0.468 -4.404 6.144 1.00 0.00 C ATOM 1305 CE LYS A 87 -0.785 -4.764 4.691 1.00 0.00 C ATOM 1306 NZ LYS A 87 -2.261 -4.752 4.488 1.00 0.00 N ATOM 0 H LYS A 87 -1.218 -1.717 10.174 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.093 -1.902 8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.594 -2.353 7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.877 -3.871 8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.463 -4.562 6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.151 -3.051 6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.363 -3.700 6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.158 -5.294 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.308 -4.053 4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.382 -5.748 4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.493 -5.234 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.724 -5.245 5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.598 -3.769 4.448 1.00 0.00 H new ATOM 1320 N LEU A 88 -3.307 -4.275 10.318 1.00 0.00 N ATOM 1321 CA LEU A 88 -4.190 -5.389 10.766 1.00 0.00 C ATOM 1322 C LEU A 88 -5.641 -4.905 10.805 1.00 0.00 C ATOM 1323 O LEU A 88 -6.557 -5.631 10.473 1.00 0.00 O ATOM 1324 CB LEU A 88 -3.766 -5.847 12.164 1.00 0.00 C ATOM 1325 CG LEU A 88 -4.594 -7.067 12.577 1.00 0.00 C ATOM 1326 CD1 LEU A 88 -4.215 -8.272 11.711 1.00 0.00 C ATOM 1327 CD2 LEU A 88 -4.317 -7.393 14.047 1.00 0.00 C ATOM 0 H LEU A 88 -2.552 -4.033 10.960 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.104 -6.223 10.070 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.705 -6.096 12.170 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.908 -5.039 12.881 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.652 -6.845 12.440 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.808 -9.136 12.010 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.411 -8.043 10.663 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.156 -8.496 11.842 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.905 -8.261 14.344 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.257 -7.611 14.178 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.591 -6.539 14.667 1.00 0.00 H new ATOM 1339 N GLN A 89 -5.858 -3.683 11.208 1.00 0.00 N ATOM 1340 CA GLN A 89 -7.250 -3.155 11.267 1.00 0.00 C ATOM 1341 C GLN A 89 -7.583 -2.448 9.952 1.00 0.00 C ATOM 1342 O GLN A 89 -7.149 -2.928 8.918 1.00 0.00 O ATOM 1343 CB GLN A 89 -7.371 -2.163 12.425 1.00 0.00 C ATOM 1344 CG GLN A 89 -7.145 -2.893 13.750 1.00 0.00 C ATOM 1345 CD GLN A 89 -7.216 -1.892 14.905 1.00 0.00 C ATOM 1346 OE1 GLN A 89 -7.121 -0.699 14.696 1.00 0.00 O ATOM 1347 NE2 GLN A 89 -7.380 -2.330 16.123 1.00 0.00 N ATOM 1348 OXT GLN A 89 -8.267 -1.439 10.002 1.00 0.00 O ATOM 0 H GLN A 89 -5.132 -3.028 11.499 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.945 -3.980 11.422 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.640 -1.363 12.310 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.357 -1.698 12.418 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.898 -3.670 13.882 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.174 -3.388 13.743 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.460 -3.332 16.298 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.428 -1.671 16.900 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 1.522 -10.117 -12.207 1.00 0.00 O HETATM 1359 O4 PN7 A 101 3.844 -8.540 -12.923 1.00 0.00 O HETATM 1360 C2 PN7 A 101 2.049 -8.438 -10.565 1.00 0.00 C HETATM 1361 C1 PN7 A 101 3.134 -9.436 -10.147 1.00 0.00 C HETATM 1362 P PN7 A 101 3.501 -10.849 -8.174 1.00 0.00 P HETATM 1363 O1P PN7 A 101 3.580 -9.645 -7.317 1.00 0.00 O HETATM 1364 O2P PN7 A 101 4.740 -11.462 -8.701 1.00 0.00 O HETATM 1365 O3P PN7 A 101 2.536 -10.514 -9.420 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 2.595 -7.013 -10.453 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 0.832 -8.590 -9.650 1.00 0.00 C HETATM 1368 C3 PN7 A 101 1.636 -8.713 -12.010 1.00 0.00 C HETATM 1369 C4 PN7 A 101 2.693 -8.155 -12.963 1.00 0.00 C HETATM 1370 N5 PN7 A 101 2.320 -7.222 -13.796 1.00 0.00 N HETATM 1371 C6 PN7 A 101 2.102 -7.553 -15.233 1.00 0.00 C HETATM 1372 C7 PN7 A 101 0.746 -8.243 -15.397 1.00 0.00 C HETATM 1373 C8 PN7 A 101 0.914 -9.752 -15.206 1.00 0.00 C HETATM 1374 O8 PN7 A 101 1.948 -10.313 -15.507 1.00 0.00 O HETATM 1375 N9 PN7 A 101 -0.124 -10.424 -14.788 1.00 0.00 N HETATM 1376 C10 PN7 A 101 0.051 -11.799 -14.240 1.00 0.00 C HETATM 1377 C11 PN7 A 101 -0.851 -12.770 -15.004 1.00 0.00 C HETATM 1378 S12 PN7 A 101 -0.278 -12.906 -16.715 1.00 0.00 S