USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1112 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 MET CE :methyl -118:sc= -1.35 (180deg=-1.16) USER MOD Set 1.2: A 118 CYS SG : rot -132:sc= 0.443 USER MOD Set 2.1: A 83 HIS : no HD1:sc= -0.416 X(o=-0.44,f=-0.33) USER MOD Set 2.2: A 86 THR OG1 : rot 180:sc= -0.0223 USER MOD Set 3.1: A 79 ASN : amide:sc= 0.635 K(o=-0.27,f=-1.2) USER MOD Set 3.2: A 81 HIS : +bothHN:sc= -0.902! C(o=-0.27!,f=-6.6!) USER MOD Set 4.1: A 71 LYS NZ :NH3+ 167:sc= -1.02! (180deg=-2.68!) USER MOD Set 4.2: A 72 ASN : amide:sc= 1.93 K(o=0.91,f=-11!) USER MOD Set 5.1: A 25 CYS SG : rot -169:sc= 0.287 USER MOD Set 5.2: A 57 MET CE :methyl 138:sc= -4.58! (180deg=-1.91) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.64 (180deg=1.64) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -3.07! USER MOD Single : A 6 LYS NZ :NH3+ -151:sc= 1.19 (180deg=0.93) USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0684) USER MOD Single : A 8 GLN :FLIP amide:sc= -1.02 F(o=-4!,f=-1) USER MOD Single : A 12 MET CE :methyl -172:sc= -1.36 (180deg=-1.5) USER MOD Single : A 15 HIS : no HD1:sc= -2.02 K(o=-2,f=-5.6!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.927 K(o=0.93,f=-0.27) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.6!) USER MOD Single : A 47 ASN : amide:sc= -5.17! C(o=-5.2!,f=-11!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 80:sc= 0.468 USER MOD Single : A 54 HIS : no HD1:sc= -0.848 K(o=-0.85,f=-4.9!) USER MOD Single : A 56 SER OG : rot 118:sc= 1.25 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 64 THR OG1 : rot 78:sc= 1.29 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -140:sc= 0 (180deg=-0.889) USER MOD Single : A 76 MET CE :methyl 157:sc= -0.164 (180deg=-0.847) USER MOD Single : A 82 SER OG : rot 130:sc= -0.758 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 127:sc= 0.00307 (180deg=-0.211) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 2:sc= 0.386 USER MOD Single : A 109 SER OG : rot -125:sc= -0.337 USER MOD Single : A 114 GLN : amide:sc= -0.369 K(o=-0.37,f=-1.2) USER MOD Single : A 115 LYS NZ :NH3+ 162:sc= -0.0632 (180deg=-0.416) USER MOD Single : A 119 LYS NZ :NH3+ -162:sc= -0.132 (180deg=-0.605) USER MOD Single : A 120 SER OG : rot 32:sc= -1.37! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -140:sc= 1.12 (180deg=0.553) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.018 -3.268 5.030 1.00 0.00 N ATOM 2 CA MET A 1 -12.491 -3.468 3.656 1.00 0.00 C ATOM 3 C MET A 1 -11.648 -2.270 3.239 1.00 0.00 C ATOM 4 O MET A 1 -11.754 -1.197 3.826 1.00 0.00 O ATOM 5 CB MET A 1 -13.648 -3.668 2.665 1.00 0.00 C ATOM 6 CG MET A 1 -14.525 -2.435 2.509 1.00 0.00 C ATOM 7 SD MET A 1 -15.937 -2.691 1.419 1.00 0.00 S ATOM 8 CE MET A 1 -16.670 -1.056 1.483 1.00 0.00 C ATOM 0 H1 MET A 1 -13.592 -4.091 5.305 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.225 -3.162 5.694 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.607 -2.411 5.055 1.00 0.00 H new ATOM 0 HA MET A 1 -11.865 -4.361 3.649 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.241 -3.941 1.692 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.263 -4.503 2.999 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.885 -2.128 3.491 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.920 -1.615 2.121 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.563 -1.033 0.859 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.940 -0.818 2.512 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.953 -0.321 1.117 1.00 0.00 H new ATOM 20 N ILE A 2 -10.795 -2.447 2.243 1.00 0.00 N ATOM 21 CA ILE A 2 -10.002 -1.342 1.730 1.00 0.00 C ATOM 22 C ILE A 2 -10.518 -0.923 0.359 1.00 0.00 C ATOM 23 O ILE A 2 -10.839 -1.765 -0.479 1.00 0.00 O ATOM 24 CB ILE A 2 -8.494 -1.688 1.661 1.00 0.00 C ATOM 25 CG1 ILE A 2 -7.697 -0.504 1.106 1.00 0.00 C ATOM 26 CG2 ILE A 2 -8.259 -2.944 0.832 1.00 0.00 C ATOM 27 CD1 ILE A 2 -6.202 -0.731 1.091 1.00 0.00 C ATOM 0 H ILE A 2 -10.635 -3.340 1.776 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.107 -0.509 2.425 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.143 -1.890 2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.034 -0.295 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.915 0.381 1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.192 -3.164 0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.789 -3.782 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -8.627 -2.785 -0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.704 0.150 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.851 -0.910 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.972 -1.596 0.470 1.00 0.00 H new ATOM 39 N THR A 3 -10.640 0.375 0.148 1.00 0.00 N ATOM 40 CA THR A 3 -11.191 0.892 -1.086 1.00 0.00 C ATOM 41 C THR A 3 -10.242 1.890 -1.745 1.00 0.00 C ATOM 42 O THR A 3 -9.685 2.770 -1.079 1.00 0.00 O ATOM 43 CB THR A 3 -12.550 1.566 -0.831 1.00 0.00 C ATOM 44 OG1 THR A 3 -13.392 0.689 -0.070 1.00 0.00 O ATOM 45 CG2 THR A 3 -13.238 1.911 -2.140 1.00 0.00 C ATOM 0 H THR A 3 -10.363 1.091 0.820 1.00 0.00 H new ATOM 0 HA THR A 3 -11.328 0.047 -1.761 1.00 0.00 H new ATOM 0 HB THR A 3 -12.375 2.487 -0.274 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.256 1.123 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 3 -14.197 2.386 -1.933 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.610 2.594 -2.712 1.00 0.00 H new ATOM 0 HG23 THR A 3 -13.402 1.000 -2.716 1.00 0.00 H new ATOM 53 N LEU A 4 -10.054 1.735 -3.048 1.00 0.00 N ATOM 54 CA LEU A 4 -9.249 2.657 -3.832 1.00 0.00 C ATOM 55 C LEU A 4 -9.780 2.739 -5.256 1.00 0.00 C ATOM 56 O LEU A 4 -10.570 1.899 -5.680 1.00 0.00 O ATOM 57 CB LEU A 4 -7.765 2.257 -3.804 1.00 0.00 C ATOM 58 CG LEU A 4 -7.451 0.770 -4.029 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.495 0.413 -5.507 1.00 0.00 C ATOM 60 CD2 LEU A 4 -6.092 0.423 -3.438 1.00 0.00 C ATOM 0 H LEU A 4 -10.454 0.968 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.323 3.649 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.242 2.835 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.351 2.551 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.217 0.183 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.268 -0.646 -5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.489 0.621 -5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.759 1.008 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.882 -0.634 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.322 1.026 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.098 0.628 -2.367 1.00 0.00 H new ATOM 72 N THR A 5 -9.358 3.756 -5.987 1.00 0.00 N ATOM 73 CA THR A 5 -9.854 3.982 -7.337 1.00 0.00 C ATOM 74 C THR A 5 -8.930 3.341 -8.371 1.00 0.00 C ATOM 75 O THR A 5 -7.875 2.800 -8.023 1.00 0.00 O ATOM 76 CB THR A 5 -9.970 5.490 -7.626 1.00 0.00 C ATOM 77 OG1 THR A 5 -8.669 6.093 -7.624 1.00 0.00 O ATOM 78 CG2 THR A 5 -10.834 6.167 -6.577 1.00 0.00 C ATOM 0 H THR A 5 -8.672 4.441 -5.669 1.00 0.00 H new ATOM 0 HA THR A 5 -10.840 3.524 -7.408 1.00 0.00 H new ATOM 0 HB THR A 5 -10.431 5.616 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.752 7.052 -7.810 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.905 7.232 -6.797 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.831 5.727 -6.588 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.387 6.029 -5.593 1.00 0.00 H new ATOM 86 N LYS A 6 -9.317 3.407 -9.643 1.00 0.00 N ATOM 87 CA LYS A 6 -8.474 2.905 -10.718 1.00 0.00 C ATOM 88 C LYS A 6 -7.211 3.752 -10.840 1.00 0.00 C ATOM 89 O LYS A 6 -6.133 3.242 -11.121 1.00 0.00 O ATOM 90 CB LYS A 6 -9.226 2.902 -12.049 1.00 0.00 C ATOM 91 CG LYS A 6 -10.353 1.882 -12.116 1.00 0.00 C ATOM 92 CD LYS A 6 -10.693 1.511 -13.555 1.00 0.00 C ATOM 93 CE LYS A 6 -11.171 2.707 -14.369 1.00 0.00 C ATOM 94 NZ LYS A 6 -12.526 3.166 -13.962 1.00 0.00 N ATOM 0 H LYS A 6 -10.206 3.802 -9.951 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.196 1.879 -10.476 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.637 3.896 -12.225 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.519 2.702 -12.854 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.065 0.985 -11.567 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.239 2.286 -11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.814 1.079 -14.033 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.466 0.743 -13.556 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.463 3.528 -14.254 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.183 2.442 -15.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.006 3.598 -14.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.081 2.354 -13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.440 3.868 -13.200 1.00 0.00 H new ATOM 108 N LYS A 7 -7.373 5.048 -10.619 1.00 0.00 N ATOM 109 CA LYS A 7 -6.268 5.994 -10.585 1.00 0.00 C ATOM 110 C LYS A 7 -5.225 5.556 -9.558 1.00 0.00 C ATOM 111 O LYS A 7 -4.024 5.609 -9.817 1.00 0.00 O ATOM 112 CB LYS A 7 -6.844 7.371 -10.230 1.00 0.00 C ATOM 113 CG LYS A 7 -5.972 8.564 -10.580 1.00 0.00 C ATOM 114 CD LYS A 7 -4.820 8.747 -9.607 1.00 0.00 C ATOM 115 CE LYS A 7 -4.247 10.154 -9.686 1.00 0.00 C ATOM 116 NZ LYS A 7 -3.819 10.518 -11.063 1.00 0.00 N ATOM 0 H LYS A 7 -8.284 5.477 -10.457 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.770 6.037 -11.554 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.802 7.484 -10.737 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.045 7.394 -9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.576 8.437 -11.588 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.583 9.467 -10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.164 8.549 -8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.037 8.021 -9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.995 10.868 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.395 10.234 -9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.300 11.419 -11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.201 9.772 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.656 10.618 -11.672 1.00 0.00 H new ATOM 130 N GLN A 8 -5.696 5.105 -8.402 1.00 0.00 N ATOM 131 CA GLN A 8 -4.804 4.624 -7.349 1.00 0.00 C ATOM 132 C GLN A 8 -4.122 3.335 -7.787 1.00 0.00 C ATOM 133 O GLN A 8 -2.938 3.124 -7.517 1.00 0.00 O ATOM 134 CB GLN A 8 -5.581 4.388 -6.050 1.00 0.00 C ATOM 135 CG GLN A 8 -6.445 5.565 -5.632 1.00 0.00 C ATOM 136 CD GLN A 8 -5.651 6.833 -5.398 1.00 0.00 C ATOM 137 OE1 GLN A 8 -5.257 7.052 -4.159 1.00 0.00 O flip ATOM 138 NE2 GLN A 8 -5.405 7.611 -6.317 1.00 0.00 N flip ATOM 0 H GLN A 8 -6.688 5.061 -8.168 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.045 5.385 -7.167 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.214 3.509 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.875 4.165 -5.250 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.194 5.750 -6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.983 5.307 -4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.729 7.403 -7.262 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.877 8.465 -6.135 1.00 0.00 H new ATOM 147 N MET A 9 -4.876 2.473 -8.466 1.00 0.00 N ATOM 148 CA MET A 9 -4.319 1.251 -9.028 1.00 0.00 C ATOM 149 C MET A 9 -3.220 1.602 -10.023 1.00 0.00 C ATOM 150 O MET A 9 -2.127 1.048 -9.974 1.00 0.00 O ATOM 151 CB MET A 9 -5.414 0.432 -9.722 1.00 0.00 C ATOM 152 CG MET A 9 -4.942 -0.923 -10.226 1.00 0.00 C ATOM 153 SD MET A 9 -4.556 -2.071 -8.886 1.00 0.00 S ATOM 154 CE MET A 9 -6.149 -2.168 -8.070 1.00 0.00 C ATOM 0 H MET A 9 -5.873 2.601 -8.639 1.00 0.00 H new ATOM 0 HA MET A 9 -3.898 0.651 -8.221 1.00 0.00 H new ATOM 0 HB2 MET A 9 -6.239 0.283 -9.026 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.806 1.005 -10.562 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.714 -1.359 -10.861 1.00 0.00 H new ATOM 0 HG3 MET A 9 -4.057 -0.786 -10.848 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.058 -1.796 -7.049 1.00 0.00 H new ATOM 0 HE2 MET A 9 -6.874 -1.562 -8.614 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.485 -3.205 -8.050 1.00 0.00 H new ATOM 164 N GLU A 10 -3.523 2.549 -10.903 1.00 0.00 N ATOM 165 CA GLU A 10 -2.588 3.038 -11.893 1.00 0.00 C ATOM 166 C GLU A 10 -1.334 3.621 -11.240 1.00 0.00 C ATOM 167 O GLU A 10 -0.219 3.402 -11.717 1.00 0.00 O ATOM 168 CB GLU A 10 -3.293 4.089 -12.742 1.00 0.00 C ATOM 169 CG GLU A 10 -4.261 3.502 -13.758 1.00 0.00 C ATOM 170 CD GLU A 10 -3.604 2.488 -14.675 1.00 0.00 C ATOM 171 OE1 GLU A 10 -2.632 2.850 -15.372 1.00 0.00 O ATOM 172 OE2 GLU A 10 -4.060 1.327 -14.708 1.00 0.00 O ATOM 0 H GLU A 10 -4.437 3.000 -10.945 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.261 2.209 -12.520 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.836 4.769 -12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.544 4.682 -13.267 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.089 3.027 -13.232 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.684 4.308 -14.358 1.00 0.00 H new ATOM 179 N GLU A 11 -1.528 4.362 -10.155 1.00 0.00 N ATOM 180 CA GLU A 11 -0.426 4.907 -9.377 1.00 0.00 C ATOM 181 C GLU A 11 0.490 3.798 -8.869 1.00 0.00 C ATOM 182 O GLU A 11 1.715 3.877 -9.000 1.00 0.00 O ATOM 183 CB GLU A 11 -0.992 5.705 -8.202 1.00 0.00 C ATOM 184 CG GLU A 11 -1.349 7.146 -8.536 1.00 0.00 C ATOM 185 CD GLU A 11 -0.152 7.964 -8.974 1.00 0.00 C ATOM 186 OE1 GLU A 11 0.675 8.328 -8.113 1.00 0.00 O ATOM 187 OE2 GLU A 11 -0.037 8.260 -10.185 1.00 0.00 O ATOM 0 H GLU A 11 -2.451 4.600 -9.792 1.00 0.00 H new ATOM 0 HA GLU A 11 0.168 5.560 -10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.883 5.199 -7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.263 5.702 -7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.098 7.155 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.803 7.614 -7.663 1.00 0.00 H new ATOM 194 N MET A 12 -0.108 2.760 -8.303 1.00 0.00 N ATOM 195 CA MET A 12 0.653 1.623 -7.799 1.00 0.00 C ATOM 196 C MET A 12 1.300 0.857 -8.949 1.00 0.00 C ATOM 197 O MET A 12 2.463 0.468 -8.870 1.00 0.00 O ATOM 198 CB MET A 12 -0.246 0.689 -6.986 1.00 0.00 C ATOM 199 CG MET A 12 -0.757 1.296 -5.689 1.00 0.00 C ATOM 200 SD MET A 12 -1.755 0.144 -4.724 1.00 0.00 S ATOM 201 CE MET A 12 -3.080 -0.208 -5.877 1.00 0.00 C ATOM 0 H MET A 12 -1.117 2.680 -8.181 1.00 0.00 H new ATOM 0 HA MET A 12 1.439 2.005 -7.147 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.099 0.397 -7.599 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.307 -0.222 -6.756 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.091 1.626 -5.089 1.00 0.00 H new ATOM 0 HG3 MET A 12 -1.350 2.181 -5.917 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.852 -0.793 -5.377 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.509 0.728 -6.235 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.687 -0.773 -6.722 1.00 0.00 H new ATOM 211 N LEU A 13 0.541 0.665 -10.022 1.00 0.00 N ATOM 212 CA LEU A 13 1.016 -0.058 -11.196 1.00 0.00 C ATOM 213 C LEU A 13 2.228 0.623 -11.825 1.00 0.00 C ATOM 214 O LEU A 13 3.217 -0.035 -12.151 1.00 0.00 O ATOM 215 CB LEU A 13 -0.104 -0.186 -12.235 1.00 0.00 C ATOM 216 CG LEU A 13 -1.239 -1.138 -11.856 1.00 0.00 C ATOM 217 CD1 LEU A 13 -2.265 -1.219 -12.976 1.00 0.00 C ATOM 218 CD2 LEU A 13 -0.687 -2.517 -11.539 1.00 0.00 C ATOM 0 H LEU A 13 -0.417 1.005 -10.103 1.00 0.00 H new ATOM 0 HA LEU A 13 1.319 -1.052 -10.866 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.526 0.803 -12.415 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.332 -0.522 -13.176 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.734 -0.749 -10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.065 -1.901 -12.688 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.681 -0.229 -13.160 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.785 -1.585 -13.883 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.506 -3.184 -11.271 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.169 -2.911 -12.413 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.011 -2.447 -10.705 1.00 0.00 H new ATOM 230 N ALA A 14 2.151 1.937 -11.990 1.00 0.00 N ATOM 231 CA ALA A 14 3.250 2.698 -12.570 1.00 0.00 C ATOM 232 C ALA A 14 4.507 2.545 -11.727 1.00 0.00 C ATOM 233 O ALA A 14 5.599 2.333 -12.255 1.00 0.00 O ATOM 234 CB ALA A 14 2.871 4.164 -12.709 1.00 0.00 C ATOM 0 H ALA A 14 1.340 2.498 -11.731 1.00 0.00 H new ATOM 0 HA ALA A 14 3.455 2.303 -13.565 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.704 4.716 -13.144 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.999 4.255 -13.356 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.638 4.574 -11.726 1.00 0.00 H new ATOM 240 N HIS A 15 4.338 2.637 -10.414 1.00 0.00 N ATOM 241 CA HIS A 15 5.453 2.454 -9.490 1.00 0.00 C ATOM 242 C HIS A 15 5.990 1.030 -9.564 1.00 0.00 C ATOM 243 O HIS A 15 7.200 0.813 -9.558 1.00 0.00 O ATOM 244 CB HIS A 15 5.031 2.770 -8.056 1.00 0.00 C ATOM 245 CG HIS A 15 6.166 2.692 -7.079 1.00 0.00 C ATOM 246 ND1 HIS A 15 7.307 3.450 -7.193 1.00 0.00 N ATOM 247 CD2 HIS A 15 6.335 1.927 -5.979 1.00 0.00 C ATOM 248 CE1 HIS A 15 8.131 3.155 -6.210 1.00 0.00 C ATOM 249 NE2 HIS A 15 7.565 2.234 -5.451 1.00 0.00 N ATOM 0 H HIS A 15 3.444 2.836 -9.965 1.00 0.00 H new ATOM 0 HA HIS A 15 6.242 3.145 -9.785 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.599 3.770 -8.023 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.249 2.074 -7.752 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.632 1.207 -5.587 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.106 3.592 -6.051 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.973 1.820 -4.613 1.00 0.00 H new ATOM 258 N ALA A 16 5.079 0.070 -9.616 1.00 0.00 N ATOM 259 CA ALA A 16 5.445 -1.338 -9.667 1.00 0.00 C ATOM 260 C ALA A 16 6.287 -1.648 -10.898 1.00 0.00 C ATOM 261 O ALA A 16 7.371 -2.216 -10.784 1.00 0.00 O ATOM 262 CB ALA A 16 4.199 -2.208 -9.648 1.00 0.00 C ATOM 0 H ALA A 16 4.074 0.242 -9.624 1.00 0.00 H new ATOM 0 HA ALA A 16 6.046 -1.560 -8.785 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.488 -3.258 -9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.638 -2.020 -8.733 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.577 -1.971 -10.511 1.00 0.00 H new ATOM 268 N ARG A 17 5.792 -1.252 -12.067 1.00 0.00 N ATOM 269 CA ARG A 17 6.472 -1.533 -13.329 1.00 0.00 C ATOM 270 C ARG A 17 7.834 -0.851 -13.377 1.00 0.00 C ATOM 271 O ARG A 17 8.795 -1.398 -13.919 1.00 0.00 O ATOM 272 CB ARG A 17 5.623 -1.079 -14.518 1.00 0.00 C ATOM 273 CG ARG A 17 4.250 -1.727 -14.574 1.00 0.00 C ATOM 274 CD ARG A 17 3.530 -1.380 -15.864 1.00 0.00 C ATOM 275 NE ARG A 17 4.236 -1.907 -17.026 1.00 0.00 N ATOM 276 CZ ARG A 17 3.968 -1.574 -18.286 1.00 0.00 C ATOM 277 NH1 ARG A 17 3.034 -0.675 -18.571 1.00 0.00 N ATOM 278 NH2 ARG A 17 4.653 -2.137 -19.266 1.00 0.00 N ATOM 0 H ARG A 17 4.919 -0.734 -12.167 1.00 0.00 H new ATOM 0 HA ARG A 17 6.618 -2.611 -13.393 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.502 0.003 -14.474 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.158 -1.303 -15.441 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.352 -2.809 -14.492 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.655 -1.397 -13.722 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.518 -1.784 -15.837 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.439 -0.297 -15.952 1.00 0.00 H new ATOM 0 HE ARG A 17 4.987 -2.577 -16.862 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.510 -0.228 -17.819 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.841 -0.431 -19.542 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.380 -2.820 -19.053 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.455 -1.888 -20.235 1.00 0.00 H new ATOM 292 N GLN A 18 7.905 0.342 -12.798 1.00 0.00 N ATOM 293 CA GLN A 18 9.145 1.107 -12.733 1.00 0.00 C ATOM 294 C GLN A 18 10.252 0.308 -12.053 1.00 0.00 C ATOM 295 O GLN A 18 11.403 0.313 -12.493 1.00 0.00 O ATOM 296 CB GLN A 18 8.902 2.410 -11.968 1.00 0.00 C ATOM 297 CG GLN A 18 10.148 3.260 -11.776 1.00 0.00 C ATOM 298 CD GLN A 18 9.856 4.558 -11.049 1.00 0.00 C ATOM 299 OE1 GLN A 18 9.881 4.618 -9.819 1.00 0.00 O ATOM 300 NE2 GLN A 18 9.585 5.607 -11.806 1.00 0.00 N ATOM 0 H GLN A 18 7.108 0.805 -12.362 1.00 0.00 H new ATOM 0 HA GLN A 18 9.465 1.330 -13.751 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.154 2.997 -12.500 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.484 2.172 -10.990 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.889 2.691 -11.215 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.586 3.482 -12.749 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.575 5.514 -12.822 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.386 6.510 -11.375 1.00 0.00 H new ATOM 309 N ALA A 19 9.888 -0.385 -10.987 1.00 0.00 N ATOM 310 CA ALA A 19 10.864 -1.095 -10.170 1.00 0.00 C ATOM 311 C ALA A 19 10.966 -2.576 -10.532 1.00 0.00 C ATOM 312 O ALA A 19 11.721 -3.319 -9.908 1.00 0.00 O ATOM 313 CB ALA A 19 10.524 -0.932 -8.700 1.00 0.00 C ATOM 0 H ALA A 19 8.924 -0.472 -10.665 1.00 0.00 H new ATOM 0 HA ALA A 19 11.840 -0.653 -10.372 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.258 -1.465 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.538 0.126 -8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.531 -1.340 -8.509 1.00 0.00 H new ATOM 319 N LEU A 20 10.213 -3.014 -11.530 1.00 0.00 N ATOM 320 CA LEU A 20 10.292 -4.398 -11.978 1.00 0.00 C ATOM 321 C LEU A 20 11.622 -4.654 -12.680 1.00 0.00 C ATOM 322 O LEU A 20 12.104 -3.803 -13.427 1.00 0.00 O ATOM 323 CB LEU A 20 9.136 -4.731 -12.923 1.00 0.00 C ATOM 324 CG LEU A 20 7.757 -4.833 -12.268 1.00 0.00 C ATOM 325 CD1 LEU A 20 6.699 -5.161 -13.309 1.00 0.00 C ATOM 326 CD2 LEU A 20 7.767 -5.882 -11.167 1.00 0.00 C ATOM 0 H LEU A 20 9.545 -2.437 -12.042 1.00 0.00 H new ATOM 0 HA LEU A 20 10.221 -5.041 -11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.094 -3.968 -13.700 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.355 -5.678 -13.417 1.00 0.00 H new ATOM 0 HG LEU A 20 7.514 -3.869 -11.821 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.724 -5.230 -12.827 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.676 -4.375 -14.064 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.938 -6.113 -13.783 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.778 -5.941 -10.712 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.030 -6.851 -11.590 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.500 -5.606 -10.408 1.00 0.00 H new ATOM 338 N PRO A 21 12.232 -5.833 -12.459 1.00 0.00 N ATOM 339 CA PRO A 21 11.716 -6.876 -11.584 1.00 0.00 C ATOM 340 C PRO A 21 12.418 -6.920 -10.223 1.00 0.00 C ATOM 341 O PRO A 21 12.522 -7.979 -9.606 1.00 0.00 O ATOM 342 CB PRO A 21 12.053 -8.129 -12.390 1.00 0.00 C ATOM 343 CG PRO A 21 13.312 -7.788 -13.140 1.00 0.00 C ATOM 344 CD PRO A 21 13.472 -6.281 -13.097 1.00 0.00 C ATOM 0 HA PRO A 21 10.663 -6.741 -11.339 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.204 -8.989 -11.737 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.244 -8.387 -13.074 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.173 -8.278 -12.687 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.252 -8.138 -14.170 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.350 -5.985 -12.523 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.587 -5.859 -14.096 1.00 0.00 H new ATOM 352 N ASN A 22 12.877 -5.767 -9.754 1.00 0.00 N ATOM 353 CA ASN A 22 13.617 -5.676 -8.492 1.00 0.00 C ATOM 354 C ASN A 22 12.648 -5.426 -7.338 1.00 0.00 C ATOM 355 O ASN A 22 13.053 -5.202 -6.200 1.00 0.00 O ATOM 356 CB ASN A 22 14.655 -4.551 -8.585 1.00 0.00 C ATOM 357 CG ASN A 22 15.876 -4.764 -7.695 1.00 0.00 C ATOM 358 OD1 ASN A 22 16.999 -4.429 -8.082 1.00 0.00 O ATOM 359 ND2 ASN A 22 15.673 -5.288 -6.498 1.00 0.00 N ATOM 0 H ASN A 22 12.751 -4.873 -10.229 1.00 0.00 H new ATOM 0 HA ASN A 22 14.137 -6.616 -8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.984 -4.457 -9.620 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.180 -3.608 -8.315 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.458 -5.426 -5.862 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.731 -5.554 -6.211 1.00 0.00 H new ATOM 366 N GLU A 23 11.364 -5.461 -7.677 1.00 0.00 N ATOM 367 CA GLU A 23 10.261 -5.292 -6.725 1.00 0.00 C ATOM 368 C GLU A 23 10.098 -3.831 -6.315 1.00 0.00 C ATOM 369 O GLU A 23 11.039 -3.041 -6.366 1.00 0.00 O ATOM 370 CB GLU A 23 10.419 -6.187 -5.486 1.00 0.00 C ATOM 371 CG GLU A 23 10.530 -7.663 -5.823 1.00 0.00 C ATOM 372 CD GLU A 23 10.207 -8.567 -4.648 1.00 0.00 C ATOM 373 OE1 GLU A 23 10.207 -8.086 -3.492 1.00 0.00 O ATOM 374 OE2 GLU A 23 9.918 -9.761 -4.887 1.00 0.00 O ATOM 0 H GLU A 23 11.050 -5.610 -8.636 1.00 0.00 H new ATOM 0 HA GLU A 23 9.354 -5.607 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.308 -5.879 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.565 -6.035 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.855 -7.893 -6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.541 -7.875 -6.170 1.00 0.00 H new ATOM 381 N ALA A 24 8.884 -3.475 -5.928 1.00 0.00 N ATOM 382 CA ALA A 24 8.564 -2.097 -5.596 1.00 0.00 C ATOM 383 C ALA A 24 7.865 -2.012 -4.248 1.00 0.00 C ATOM 384 O ALA A 24 7.158 -2.937 -3.848 1.00 0.00 O ATOM 385 CB ALA A 24 7.690 -1.488 -6.681 1.00 0.00 C ATOM 0 H ALA A 24 8.102 -4.124 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 24 9.495 -1.534 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.456 -0.455 -6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.221 -1.513 -7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.766 -2.059 -6.767 1.00 0.00 H new ATOM 391 N CYS A 25 8.062 -0.899 -3.556 1.00 0.00 N ATOM 392 CA CYS A 25 7.450 -0.685 -2.255 1.00 0.00 C ATOM 393 C CYS A 25 6.934 0.750 -2.150 1.00 0.00 C ATOM 394 O CYS A 25 7.426 1.644 -2.846 1.00 0.00 O ATOM 395 CB CYS A 25 8.472 -0.972 -1.152 1.00 0.00 C ATOM 396 SG CYS A 25 7.803 -0.939 0.526 1.00 0.00 S ATOM 0 H CYS A 25 8.645 -0.126 -3.878 1.00 0.00 H new ATOM 0 HA CYS A 25 6.606 -1.364 -2.136 1.00 0.00 H new ATOM 0 HB2 CYS A 25 8.915 -1.951 -1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.277 -0.240 -1.222 1.00 0.00 H new ATOM 0 HG CYS A 25 8.780 -0.962 1.383 1.00 0.00 H new ATOM 402 N GLY A 26 5.930 0.963 -1.312 1.00 0.00 N ATOM 403 CA GLY A 26 5.380 2.289 -1.128 1.00 0.00 C ATOM 404 C GLY A 26 4.392 2.348 0.019 1.00 0.00 C ATOM 405 O GLY A 26 4.164 1.345 0.695 1.00 0.00 O ATOM 0 H GLY A 26 5.484 0.235 -0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.191 2.994 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.886 2.606 -2.047 1.00 0.00 H new ATOM 409 N LEU A 27 3.790 3.512 0.223 1.00 0.00 N ATOM 410 CA LEU A 27 2.846 3.712 1.317 1.00 0.00 C ATOM 411 C LEU A 27 1.510 4.213 0.782 1.00 0.00 C ATOM 412 O LEU A 27 1.422 4.701 -0.347 1.00 0.00 O ATOM 413 CB LEU A 27 3.400 4.723 2.330 1.00 0.00 C ATOM 414 CG LEU A 27 4.679 4.305 3.057 1.00 0.00 C ATOM 415 CD1 LEU A 27 5.189 5.446 3.923 1.00 0.00 C ATOM 416 CD2 LEU A 27 4.435 3.069 3.907 1.00 0.00 C ATOM 0 H LEU A 27 3.939 4.337 -0.358 1.00 0.00 H new ATOM 0 HA LEU A 27 2.698 2.753 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.590 5.662 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.630 4.921 3.075 1.00 0.00 H new ATOM 0 HG LEU A 27 5.435 4.064 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.100 5.135 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.403 6.311 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.431 5.710 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.358 2.789 4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.664 3.283 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.108 2.248 3.269 1.00 0.00 H new ATOM 428 N LEU A 28 0.475 4.086 1.598 1.00 0.00 N ATOM 429 CA LEU A 28 -0.853 4.556 1.233 1.00 0.00 C ATOM 430 C LEU A 28 -1.328 5.609 2.223 1.00 0.00 C ATOM 431 O LEU A 28 -1.193 5.430 3.437 1.00 0.00 O ATOM 432 CB LEU A 28 -1.844 3.390 1.204 1.00 0.00 C ATOM 433 CG LEU A 28 -1.542 2.302 0.173 1.00 0.00 C ATOM 434 CD1 LEU A 28 -2.531 1.155 0.307 1.00 0.00 C ATOM 435 CD2 LEU A 28 -1.580 2.878 -1.237 1.00 0.00 C ATOM 0 H LEU A 28 0.530 3.659 2.523 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.800 4.999 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.871 2.933 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.840 3.786 1.009 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.540 1.917 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.302 0.389 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.458 0.726 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.543 1.526 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.363 2.090 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.570 3.289 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.834 3.668 -1.328 1.00 0.00 H new ATOM 447 N GLY A 29 -1.881 6.698 1.707 1.00 0.00 N ATOM 448 CA GLY A 29 -2.368 7.760 2.561 1.00 0.00 C ATOM 449 C GLY A 29 -3.830 8.062 2.314 1.00 0.00 C ATOM 450 O GLY A 29 -4.329 7.888 1.196 1.00 0.00 O ATOM 0 H GLY A 29 -2.001 6.864 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.227 7.479 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.778 8.661 2.391 1.00 0.00 H new ATOM 454 N GLY A 30 -4.525 8.487 3.359 1.00 0.00 N ATOM 455 CA GLY A 30 -5.921 8.843 3.227 1.00 0.00 C ATOM 456 C GLY A 30 -6.668 8.740 4.538 1.00 0.00 C ATOM 457 O GLY A 30 -6.165 9.146 5.586 1.00 0.00 O ATOM 0 H GLY A 30 -4.144 8.592 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.999 9.861 2.846 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.392 8.191 2.491 1.00 0.00 H new ATOM 461 N ARG A 31 -7.865 8.182 4.481 1.00 0.00 N ATOM 462 CA ARG A 31 -8.701 8.040 5.662 1.00 0.00 C ATOM 463 C ARG A 31 -8.799 6.570 6.033 1.00 0.00 C ATOM 464 O ARG A 31 -9.032 5.727 5.169 1.00 0.00 O ATOM 465 CB ARG A 31 -10.106 8.586 5.391 1.00 0.00 C ATOM 466 CG ARG A 31 -10.125 9.965 4.755 1.00 0.00 C ATOM 467 CD ARG A 31 -11.541 10.403 4.415 1.00 0.00 C ATOM 468 NE ARG A 31 -12.311 10.782 5.600 1.00 0.00 N ATOM 469 CZ ARG A 31 -13.632 10.972 5.602 1.00 0.00 C ATOM 470 NH1 ARG A 31 -14.341 10.773 4.493 1.00 0.00 N ATOM 471 NH2 ARG A 31 -14.241 11.366 6.715 1.00 0.00 N ATOM 0 H ARG A 31 -8.282 7.818 3.624 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.254 8.604 6.481 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.635 7.890 4.740 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.657 8.624 6.331 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.673 10.687 5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.518 9.958 3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.501 11.247 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.054 9.593 3.897 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.808 10.909 6.478 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.875 10.474 3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.350 10.920 4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.699 11.522 7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.250 11.512 6.720 1.00 0.00 H new ATOM 485 N ARG A 32 -8.609 6.244 7.300 1.00 0.00 N ATOM 486 CA ARG A 32 -8.736 4.865 7.726 1.00 0.00 C ATOM 487 C ARG A 32 -9.622 4.761 8.955 1.00 0.00 C ATOM 488 O ARG A 32 -9.687 5.680 9.774 1.00 0.00 O ATOM 489 CB ARG A 32 -7.357 4.235 7.978 1.00 0.00 C ATOM 490 CG ARG A 32 -6.661 4.675 9.258 1.00 0.00 C ATOM 491 CD ARG A 32 -6.916 3.689 10.386 1.00 0.00 C ATOM 492 NE ARG A 32 -6.119 3.979 11.573 1.00 0.00 N ATOM 493 CZ ARG A 32 -6.371 3.466 12.775 1.00 0.00 C ATOM 494 NH1 ARG A 32 -7.415 2.658 12.949 1.00 0.00 N ATOM 495 NH2 ARG A 32 -5.580 3.753 13.800 1.00 0.00 N ATOM 0 H ARG A 32 -8.370 6.905 8.040 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.212 4.304 6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.470 3.151 8.001 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.709 4.470 7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.589 4.761 9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.017 5.664 9.548 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.974 3.708 10.649 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.692 2.680 10.040 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.324 4.610 11.476 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.022 2.432 12.161 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.608 2.265 13.870 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.777 4.368 13.668 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.775 3.359 14.720 1.00 0.00 H new ATOM 509 N ASP A 33 -10.317 3.648 9.056 1.00 0.00 N ATOM 510 CA ASP A 33 -11.178 3.374 10.189 1.00 0.00 C ATOM 511 C ASP A 33 -10.626 2.160 10.933 1.00 0.00 C ATOM 512 O ASP A 33 -9.432 1.868 10.842 1.00 0.00 O ATOM 513 CB ASP A 33 -12.610 3.117 9.697 1.00 0.00 C ATOM 514 CG ASP A 33 -13.655 3.350 10.769 1.00 0.00 C ATOM 515 OD1 ASP A 33 -13.937 2.420 11.550 1.00 0.00 O ATOM 516 OD2 ASP A 33 -14.203 4.467 10.830 1.00 0.00 O ATOM 0 H ASP A 33 -10.302 2.907 8.355 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.204 4.227 10.867 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.818 3.767 8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.687 2.090 9.340 1.00 0.00 H new ATOM 521 N GLY A 34 -11.472 1.464 11.667 1.00 0.00 N ATOM 522 CA GLY A 34 -11.041 0.262 12.343 1.00 0.00 C ATOM 523 C GLY A 34 -11.121 -0.948 11.443 1.00 0.00 C ATOM 524 O GLY A 34 -10.359 -1.902 11.597 1.00 0.00 O ATOM 0 H GLY A 34 -12.452 1.709 11.808 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.016 0.389 12.691 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.660 0.100 13.226 1.00 0.00 H new ATOM 528 N ASP A 35 -12.040 -0.899 10.493 1.00 0.00 N ATOM 529 CA ASP A 35 -12.249 -2.012 9.573 1.00 0.00 C ATOM 530 C ASP A 35 -11.926 -1.606 8.137 1.00 0.00 C ATOM 531 O ASP A 35 -11.426 -2.415 7.350 1.00 0.00 O ATOM 532 CB ASP A 35 -13.700 -2.502 9.659 1.00 0.00 C ATOM 533 CG ASP A 35 -13.935 -3.831 8.950 1.00 0.00 C ATOM 534 OD1 ASP A 35 -13.948 -3.858 7.701 1.00 0.00 O ATOM 535 OD2 ASP A 35 -14.138 -4.850 9.650 1.00 0.00 O ATOM 0 H ASP A 35 -12.655 -0.101 10.336 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.576 -2.819 9.862 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.979 -2.604 10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.357 -1.747 9.226 1.00 0.00 H new ATOM 540 N ASP A 36 -12.185 -0.349 7.792 1.00 0.00 N ATOM 541 CA ASP A 36 -12.051 0.084 6.404 1.00 0.00 C ATOM 542 C ASP A 36 -10.883 1.035 6.201 1.00 0.00 C ATOM 543 O ASP A 36 -10.437 1.720 7.121 1.00 0.00 O ATOM 544 CB ASP A 36 -13.325 0.748 5.892 1.00 0.00 C ATOM 545 CG ASP A 36 -14.546 -0.140 6.020 1.00 0.00 C ATOM 546 OD1 ASP A 36 -14.631 -1.146 5.284 1.00 0.00 O ATOM 547 OD2 ASP A 36 -15.430 0.164 6.847 1.00 0.00 O ATOM 0 H ASP A 36 -12.484 0.378 8.442 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.863 -0.825 5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.494 1.672 6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.190 1.023 4.846 1.00 0.00 H new ATOM 552 N ARG A 37 -10.388 1.035 4.977 1.00 0.00 N ATOM 553 CA ARG A 37 -9.300 1.912 4.558 1.00 0.00 C ATOM 554 C ARG A 37 -9.683 2.620 3.258 1.00 0.00 C ATOM 555 O ARG A 37 -10.137 1.974 2.314 1.00 0.00 O ATOM 556 CB ARG A 37 -7.995 1.128 4.344 1.00 0.00 C ATOM 557 CG ARG A 37 -7.319 0.633 5.621 1.00 0.00 C ATOM 558 CD ARG A 37 -7.976 -0.616 6.188 1.00 0.00 C ATOM 559 NE ARG A 37 -7.251 -1.132 7.354 1.00 0.00 N ATOM 560 CZ ARG A 37 -7.593 -2.233 8.030 1.00 0.00 C ATOM 561 NH1 ARG A 37 -8.648 -2.945 7.654 1.00 0.00 N ATOM 562 NH2 ARG A 37 -6.874 -2.623 9.078 1.00 0.00 N ATOM 0 H ARG A 37 -10.730 0.423 4.236 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.134 2.643 5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.206 0.269 3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.293 1.762 3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.269 0.424 5.414 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.345 1.424 6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.004 -0.389 6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.019 -1.386 5.417 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.430 -0.616 7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.200 -2.652 6.848 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.907 -3.785 8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.060 -2.082 9.368 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.137 -3.464 9.592 1.00 0.00 H new ATOM 576 N TRP A 38 -9.504 3.935 3.206 1.00 0.00 N ATOM 577 CA TRP A 38 -9.816 4.701 2.002 1.00 0.00 C ATOM 578 C TRP A 38 -8.580 5.455 1.517 1.00 0.00 C ATOM 579 O TRP A 38 -8.105 6.375 2.184 1.00 0.00 O ATOM 580 CB TRP A 38 -10.955 5.691 2.273 1.00 0.00 C ATOM 581 CG TRP A 38 -12.217 5.041 2.750 1.00 0.00 C ATOM 582 CD1 TRP A 38 -13.143 4.393 1.987 1.00 0.00 C ATOM 583 CD2 TRP A 38 -12.699 4.986 4.099 1.00 0.00 C ATOM 584 NE1 TRP A 38 -14.166 3.931 2.778 1.00 0.00 N ATOM 585 CE2 TRP A 38 -13.916 4.281 4.078 1.00 0.00 C ATOM 586 CE3 TRP A 38 -12.216 5.457 5.323 1.00 0.00 C ATOM 587 CZ2 TRP A 38 -14.659 4.040 5.233 1.00 0.00 C ATOM 588 CZ3 TRP A 38 -12.954 5.219 6.468 1.00 0.00 C ATOM 589 CH2 TRP A 38 -14.161 4.514 6.416 1.00 0.00 C ATOM 0 H TRP A 38 -9.145 4.493 3.981 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.134 4.003 1.227 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -10.626 6.415 3.018 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.166 6.247 1.360 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -13.081 4.262 0.917 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -14.980 3.411 2.450 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -11.282 5.998 5.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -15.593 3.499 5.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -12.592 5.584 7.418 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -14.711 4.340 7.329 1.00 0.00 H new ATOM 600 N VAL A 39 -8.059 5.061 0.359 1.00 0.00 N ATOM 601 CA VAL A 39 -6.846 5.671 -0.183 1.00 0.00 C ATOM 602 C VAL A 39 -7.176 6.922 -0.996 1.00 0.00 C ATOM 603 O VAL A 39 -7.898 6.844 -1.990 1.00 0.00 O ATOM 604 CB VAL A 39 -6.084 4.684 -1.097 1.00 0.00 C ATOM 605 CG1 VAL A 39 -4.679 5.189 -1.383 1.00 0.00 C ATOM 606 CG2 VAL A 39 -6.045 3.290 -0.485 1.00 0.00 C ATOM 0 H VAL A 39 -8.456 4.323 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.220 5.939 0.668 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.621 4.619 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.161 4.479 -2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.735 6.157 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.132 5.294 -0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.503 2.616 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.541 3.331 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.063 2.924 -0.348 1.00 0.00 H new ATOM 616 N GLU A 40 -6.643 8.071 -0.583 1.00 0.00 N ATOM 617 CA GLU A 40 -6.841 9.309 -1.334 1.00 0.00 C ATOM 618 C GLU A 40 -5.651 9.562 -2.255 1.00 0.00 C ATOM 619 O GLU A 40 -5.796 10.152 -3.326 1.00 0.00 O ATOM 620 CB GLU A 40 -7.079 10.502 -0.389 1.00 0.00 C ATOM 621 CG GLU A 40 -5.912 10.854 0.526 1.00 0.00 C ATOM 622 CD GLU A 40 -4.915 11.801 -0.115 1.00 0.00 C ATOM 623 OE1 GLU A 40 -5.336 12.653 -0.929 1.00 0.00 O ATOM 624 OE2 GLU A 40 -3.710 11.700 0.188 1.00 0.00 O ATOM 0 H GLU A 40 -6.076 8.170 0.259 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.734 9.200 -1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.324 11.377 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.951 10.286 0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.298 11.307 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.398 9.938 0.817 1.00 0.00 H new ATOM 631 N ARG A 41 -4.477 9.098 -1.839 1.00 0.00 N ATOM 632 CA ARG A 41 -3.281 9.208 -2.659 1.00 0.00 C ATOM 633 C ARG A 41 -2.343 8.034 -2.414 1.00 0.00 C ATOM 634 O ARG A 41 -2.140 7.602 -1.277 1.00 0.00 O ATOM 635 CB ARG A 41 -2.537 10.520 -2.388 1.00 0.00 C ATOM 636 CG ARG A 41 -1.297 10.702 -3.250 1.00 0.00 C ATOM 637 CD ARG A 41 -1.661 10.795 -4.722 1.00 0.00 C ATOM 638 NE ARG A 41 -0.524 10.507 -5.595 1.00 0.00 N ATOM 639 CZ ARG A 41 -0.062 11.349 -6.517 1.00 0.00 C ATOM 640 NH1 ARG A 41 -0.525 12.593 -6.585 1.00 0.00 N ATOM 641 NH2 ARG A 41 0.882 10.947 -7.358 1.00 0.00 N ATOM 0 H ARG A 41 -4.331 8.642 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.603 9.197 -3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.215 11.356 -2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.248 10.555 -1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.768 11.605 -2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.616 9.866 -3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.469 10.096 -4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.038 11.795 -4.938 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.056 9.606 -5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.239 12.908 -5.928 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.166 13.233 -7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.250 9.998 -7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.240 11.587 -8.067 1.00 0.00 H new ATOM 655 N VAL A 42 -1.794 7.512 -3.497 1.00 0.00 N ATOM 656 CA VAL A 42 -0.758 6.498 -3.421 1.00 0.00 C ATOM 657 C VAL A 42 0.603 7.177 -3.336 1.00 0.00 C ATOM 658 O VAL A 42 0.883 8.106 -4.093 1.00 0.00 O ATOM 659 CB VAL A 42 -0.800 5.564 -4.648 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.342 4.559 -4.616 1.00 0.00 C ATOM 661 CG2 VAL A 42 -2.137 4.844 -4.713 1.00 0.00 C ATOM 0 H VAL A 42 -2.052 7.777 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.929 5.893 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.682 6.175 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.285 3.915 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.294 5.090 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.266 3.951 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.155 4.188 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.276 4.252 -3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.941 5.576 -4.794 1.00 0.00 H new ATOM 671 N TYR A 43 1.425 6.727 -2.401 1.00 0.00 N ATOM 672 CA TYR A 43 2.739 7.313 -2.174 1.00 0.00 C ATOM 673 C TYR A 43 3.849 6.347 -2.574 1.00 0.00 C ATOM 674 O TYR A 43 4.262 5.505 -1.775 1.00 0.00 O ATOM 675 CB TYR A 43 2.902 7.739 -0.712 1.00 0.00 C ATOM 676 CG TYR A 43 2.211 9.043 -0.382 1.00 0.00 C ATOM 677 CD1 TYR A 43 0.843 9.094 -0.135 1.00 0.00 C ATOM 678 CD2 TYR A 43 2.934 10.226 -0.313 1.00 0.00 C ATOM 679 CE1 TYR A 43 0.217 10.288 0.167 1.00 0.00 C ATOM 680 CE2 TYR A 43 2.317 11.424 -0.011 1.00 0.00 C ATOM 681 CZ TYR A 43 0.958 11.451 0.228 1.00 0.00 C ATOM 682 OH TYR A 43 0.339 12.645 0.530 1.00 0.00 O ATOM 0 H TYR A 43 1.203 5.949 -1.780 1.00 0.00 H new ATOM 0 HA TYR A 43 2.818 8.200 -2.802 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.506 6.954 -0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.964 7.833 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.261 8.185 -0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.998 10.209 -0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.846 10.311 0.354 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.895 12.335 0.038 1.00 0.00 H new ATOM 0 HH TYR A 43 1.003 13.366 0.534 1.00 0.00 H new ATOM 692 N PRO A 44 4.289 6.397 -3.842 1.00 0.00 N ATOM 693 CA PRO A 44 5.400 5.576 -4.327 1.00 0.00 C ATOM 694 C PRO A 44 6.720 5.936 -3.646 1.00 0.00 C ATOM 695 O PRO A 44 7.295 6.993 -3.904 1.00 0.00 O ATOM 696 CB PRO A 44 5.469 5.899 -5.829 1.00 0.00 C ATOM 697 CG PRO A 44 4.169 6.553 -6.154 1.00 0.00 C ATOM 698 CD PRO A 44 3.752 7.266 -4.903 1.00 0.00 C ATOM 0 HA PRO A 44 5.243 4.518 -4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.307 6.560 -6.051 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.612 4.994 -6.419 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.278 7.250 -6.985 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.423 5.816 -6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.168 8.272 -4.852 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.669 7.366 -4.835 1.00 0.00 H new ATOM 706 N LEU A 45 7.185 5.057 -2.766 1.00 0.00 N ATOM 707 CA LEU A 45 8.435 5.277 -2.045 1.00 0.00 C ATOM 708 C LEU A 45 9.637 4.833 -2.879 1.00 0.00 C ATOM 709 O LEU A 45 9.521 4.608 -4.086 1.00 0.00 O ATOM 710 CB LEU A 45 8.405 4.561 -0.683 1.00 0.00 C ATOM 711 CG LEU A 45 7.886 5.403 0.489 1.00 0.00 C ATOM 712 CD1 LEU A 45 8.678 6.692 0.610 1.00 0.00 C ATOM 713 CD2 LEU A 45 6.409 5.708 0.329 1.00 0.00 C ATOM 0 H LEU A 45 6.714 4.183 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 45 8.541 6.346 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.783 3.671 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.414 4.222 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 45 8.017 4.823 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.296 7.277 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.729 6.459 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.579 7.268 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.067 6.306 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.250 6.262 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.847 4.775 0.294 1.00 0.00 H new ATOM 725 N ASN A 46 10.787 4.719 -2.238 1.00 0.00 N ATOM 726 CA ASN A 46 12.036 4.446 -2.923 1.00 0.00 C ATOM 727 C ASN A 46 12.444 2.983 -2.706 1.00 0.00 C ATOM 728 O ASN A 46 11.594 2.108 -2.529 1.00 0.00 O ATOM 729 CB ASN A 46 13.111 5.401 -2.382 1.00 0.00 C ATOM 730 CG ASN A 46 14.354 5.467 -3.249 1.00 0.00 C ATOM 731 OD1 ASN A 46 14.285 5.371 -4.472 1.00 0.00 O ATOM 732 ND2 ASN A 46 15.509 5.608 -2.619 1.00 0.00 N ATOM 0 H ASN A 46 10.880 4.813 -1.227 1.00 0.00 H new ATOM 0 HA ASN A 46 11.920 4.606 -3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.686 6.401 -2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.394 5.085 -1.378 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.379 5.640 -3.150 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.529 5.685 -1.602 1.00 0.00 H new ATOM 739 N ASN A 47 13.740 2.726 -2.776 1.00 0.00 N ATOM 740 CA ASN A 47 14.304 1.422 -2.486 1.00 0.00 C ATOM 741 C ASN A 47 15.676 1.601 -1.839 1.00 0.00 C ATOM 742 O ASN A 47 16.672 1.827 -2.528 1.00 0.00 O ATOM 743 CB ASN A 47 14.400 0.594 -3.776 1.00 0.00 C ATOM 744 CG ASN A 47 15.302 -0.623 -3.653 1.00 0.00 C ATOM 745 OD1 ASN A 47 16.488 -0.553 -3.963 1.00 0.00 O ATOM 746 ND2 ASN A 47 14.751 -1.745 -3.209 1.00 0.00 N ATOM 0 H ASN A 47 14.435 3.425 -3.038 1.00 0.00 H new ATOM 0 HA ASN A 47 13.659 0.884 -1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.401 0.267 -4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.770 1.231 -4.580 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.317 -2.589 -3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.762 -1.764 -2.961 1.00 0.00 H new ATOM 753 N LEU A 48 15.713 1.585 -0.511 1.00 0.00 N ATOM 754 CA LEU A 48 16.980 1.684 0.208 1.00 0.00 C ATOM 755 C LEU A 48 17.746 0.373 0.125 1.00 0.00 C ATOM 756 O LEU A 48 18.885 0.342 -0.340 1.00 0.00 O ATOM 757 CB LEU A 48 16.767 2.080 1.674 1.00 0.00 C ATOM 758 CG LEU A 48 16.276 3.501 1.902 1.00 0.00 C ATOM 759 CD1 LEU A 48 16.226 3.819 3.388 1.00 0.00 C ATOM 760 CD2 LEU A 48 17.155 4.505 1.170 1.00 0.00 C ATOM 0 H LEU A 48 14.889 1.505 0.086 1.00 0.00 H new ATOM 0 HA LEU A 48 17.567 2.468 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.049 1.390 2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 48 17.708 1.949 2.208 1.00 0.00 H new ATOM 0 HG LEU A 48 15.266 3.577 1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.872 4.840 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.546 3.127 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.224 3.718 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.782 5.514 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 48 18.179 4.426 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.134 4.295 0.101 1.00 0.00 H new ATOM 772 N ASP A 49 17.122 -0.711 0.569 1.00 0.00 N ATOM 773 CA ASP A 49 17.739 -2.023 0.467 1.00 0.00 C ATOM 774 C ASP A 49 17.301 -2.659 -0.830 1.00 0.00 C ATOM 775 O ASP A 49 16.201 -3.211 -0.912 1.00 0.00 O ATOM 776 CB ASP A 49 17.356 -2.934 1.637 1.00 0.00 C ATOM 777 CG ASP A 49 17.646 -2.318 2.992 1.00 0.00 C ATOM 778 OD1 ASP A 49 18.805 -2.404 3.455 1.00 0.00 O ATOM 779 OD2 ASP A 49 16.718 -1.742 3.605 1.00 0.00 O ATOM 0 H ASP A 49 16.197 -0.706 0.999 1.00 0.00 H new ATOM 0 HA ASP A 49 18.821 -1.896 0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.294 -3.171 1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 49 17.899 -3.875 1.549 1.00 0.00 H new ATOM 784 N GLN A 50 18.150 -2.552 -1.843 1.00 0.00 N ATOM 785 CA GLN A 50 17.822 -3.027 -3.180 1.00 0.00 C ATOM 786 C GLN A 50 17.346 -4.470 -3.137 1.00 0.00 C ATOM 787 O GLN A 50 16.281 -4.790 -3.657 1.00 0.00 O ATOM 788 CB GLN A 50 19.030 -2.879 -4.108 1.00 0.00 C ATOM 789 CG GLN A 50 19.488 -1.435 -4.263 1.00 0.00 C ATOM 790 CD GLN A 50 20.614 -1.271 -5.263 1.00 0.00 C ATOM 791 OE1 GLN A 50 21.792 -1.335 -4.909 1.00 0.00 O ATOM 792 NE2 GLN A 50 20.258 -1.050 -6.517 1.00 0.00 N ATOM 0 H GLN A 50 19.078 -2.137 -1.763 1.00 0.00 H new ATOM 0 HA GLN A 50 17.009 -2.417 -3.574 1.00 0.00 H new ATOM 0 HB2 GLN A 50 19.855 -3.476 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 50 18.779 -3.282 -5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 50 18.641 -0.823 -4.575 1.00 0.00 H new ATOM 0 HG3 GLN A 50 19.814 -1.058 -3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 50 19.270 -1.005 -6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.971 -0.925 -7.235 1.00 0.00 H new ATOM 801 N SER A 51 18.124 -5.303 -2.459 1.00 0.00 N ATOM 802 CA SER A 51 17.816 -6.719 -2.274 1.00 0.00 C ATOM 803 C SER A 51 17.630 -7.480 -3.598 1.00 0.00 C ATOM 804 O SER A 51 17.479 -6.891 -4.670 1.00 0.00 O ATOM 805 CB SER A 51 16.565 -6.851 -1.408 1.00 0.00 C ATOM 806 OG SER A 51 16.691 -6.093 -0.215 1.00 0.00 O ATOM 0 H SER A 51 18.996 -5.014 -2.016 1.00 0.00 H new ATOM 0 HA SER A 51 18.674 -7.176 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 51 15.693 -6.513 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 51 16.398 -7.899 -1.161 1.00 0.00 H new ATOM 0 HG SER A 51 16.506 -5.150 -0.406 1.00 0.00 H new ATOM 812 N PRO A 52 17.722 -8.816 -3.549 1.00 0.00 N ATOM 813 CA PRO A 52 17.360 -9.674 -4.668 1.00 0.00 C ATOM 814 C PRO A 52 15.877 -10.054 -4.654 1.00 0.00 C ATOM 815 O PRO A 52 15.180 -9.905 -5.657 1.00 0.00 O ATOM 816 CB PRO A 52 18.235 -10.921 -4.458 1.00 0.00 C ATOM 817 CG PRO A 52 18.996 -10.690 -3.184 1.00 0.00 C ATOM 818 CD PRO A 52 18.274 -9.599 -2.447 1.00 0.00 C ATOM 0 HA PRO A 52 17.518 -9.181 -5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 52 17.622 -11.819 -4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 52 18.916 -11.065 -5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.037 -11.601 -2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 52 20.026 -10.400 -3.394 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.495 -9.992 -1.793 1.00 0.00 H new ATOM 0 HD3 PRO A 52 18.947 -9.011 -1.823 1.00 0.00 H new ATOM 826 N GLU A 53 15.403 -10.536 -3.505 1.00 0.00 N ATOM 827 CA GLU A 53 14.032 -11.026 -3.374 1.00 0.00 C ATOM 828 C GLU A 53 13.204 -10.135 -2.453 1.00 0.00 C ATOM 829 O GLU A 53 12.048 -10.441 -2.164 1.00 0.00 O ATOM 830 CB GLU A 53 14.034 -12.432 -2.769 1.00 0.00 C ATOM 831 CG GLU A 53 14.951 -13.421 -3.463 1.00 0.00 C ATOM 832 CD GLU A 53 15.060 -14.722 -2.696 1.00 0.00 C ATOM 833 OE1 GLU A 53 15.822 -14.770 -1.707 1.00 0.00 O ATOM 834 OE2 GLU A 53 14.385 -15.698 -3.073 1.00 0.00 O ATOM 0 H GLU A 53 15.952 -10.597 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 53 13.596 -11.027 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.325 -12.361 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.017 -12.823 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.576 -13.621 -4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.942 -12.981 -3.575 1.00 0.00 H new ATOM 841 N HIS A 54 13.799 -9.062 -1.959 1.00 0.00 N ATOM 842 CA HIS A 54 13.166 -8.277 -0.904 1.00 0.00 C ATOM 843 C HIS A 54 13.172 -6.790 -1.235 1.00 0.00 C ATOM 844 O HIS A 54 13.601 -6.382 -2.309 1.00 0.00 O ATOM 845 CB HIS A 54 13.873 -8.505 0.443 1.00 0.00 C ATOM 846 CG HIS A 54 13.785 -9.911 0.973 1.00 0.00 C ATOM 847 ND1 HIS A 54 14.601 -10.381 1.978 1.00 0.00 N ATOM 848 CD2 HIS A 54 12.965 -10.942 0.652 1.00 0.00 C ATOM 849 CE1 HIS A 54 14.287 -11.634 2.251 1.00 0.00 C ATOM 850 NE2 HIS A 54 13.294 -11.998 1.460 1.00 0.00 N ATOM 0 H HIS A 54 14.708 -8.715 -2.265 1.00 0.00 H new ATOM 0 HA HIS A 54 12.131 -8.611 -0.830 1.00 0.00 H new ATOM 0 HB2 HIS A 54 14.924 -8.238 0.335 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.446 -7.826 1.181 1.00 0.00 H new ATOM 0 HD2 HIS A 54 12.193 -10.932 -0.103 1.00 0.00 H new ATOM 0 HE1 HIS A 54 14.762 -12.256 2.995 1.00 0.00 H new ATOM 0 HE2 HIS A 54 12.846 -12.914 1.452 1.00 0.00 H new ATOM 859 N PHE A 55 12.718 -5.995 -0.280 1.00 0.00 N ATOM 860 CA PHE A 55 12.595 -4.556 -0.452 1.00 0.00 C ATOM 861 C PHE A 55 12.832 -3.861 0.882 1.00 0.00 C ATOM 862 O PHE A 55 13.185 -4.508 1.867 1.00 0.00 O ATOM 863 CB PHE A 55 11.196 -4.214 -0.986 1.00 0.00 C ATOM 864 CG PHE A 55 10.079 -4.774 -0.141 1.00 0.00 C ATOM 865 CD1 PHE A 55 9.584 -6.048 -0.380 1.00 0.00 C ATOM 866 CD2 PHE A 55 9.535 -4.034 0.895 1.00 0.00 C ATOM 867 CE1 PHE A 55 8.570 -6.570 0.401 1.00 0.00 C ATOM 868 CE2 PHE A 55 8.519 -4.549 1.677 1.00 0.00 C ATOM 869 CZ PHE A 55 8.037 -5.819 1.431 1.00 0.00 C ATOM 0 H PHE A 55 12.424 -6.329 0.638 1.00 0.00 H new ATOM 0 HA PHE A 55 13.339 -4.212 -1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.091 -3.130 -1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.100 -4.596 -2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.996 -6.638 -1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.910 -3.041 1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.195 -7.564 0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.102 -3.959 2.480 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.245 -6.225 2.043 1.00 0.00 H new ATOM 879 N SER A 56 12.630 -2.555 0.915 1.00 0.00 N ATOM 880 CA SER A 56 12.792 -1.798 2.138 1.00 0.00 C ATOM 881 C SER A 56 11.541 -0.968 2.406 1.00 0.00 C ATOM 882 O SER A 56 10.669 -0.853 1.544 1.00 0.00 O ATOM 883 CB SER A 56 14.023 -0.896 2.032 1.00 0.00 C ATOM 884 OG SER A 56 14.387 -0.374 3.296 1.00 0.00 O ATOM 0 H SER A 56 12.353 -1.999 0.106 1.00 0.00 H new ATOM 0 HA SER A 56 12.936 -2.487 2.971 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.857 -1.462 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.818 -0.077 1.343 1.00 0.00 H new ATOM 0 HG SER A 56 15.287 -0.683 3.531 1.00 0.00 H new ATOM 890 N MET A 57 11.449 -0.413 3.603 1.00 0.00 N ATOM 891 CA MET A 57 10.348 0.477 3.951 1.00 0.00 C ATOM 892 C MET A 57 10.808 1.922 3.883 1.00 0.00 C ATOM 893 O MET A 57 10.014 2.844 4.067 1.00 0.00 O ATOM 894 CB MET A 57 9.815 0.157 5.352 1.00 0.00 C ATOM 895 CG MET A 57 8.901 -1.059 5.406 1.00 0.00 C ATOM 896 SD MET A 57 7.147 -0.635 5.278 1.00 0.00 S ATOM 897 CE MET A 57 7.090 0.228 3.708 1.00 0.00 C ATOM 0 H MET A 57 12.124 -0.562 4.353 1.00 0.00 H new ATOM 0 HA MET A 57 9.541 0.326 3.234 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.659 -0.006 6.022 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.272 1.024 5.729 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.164 -1.740 4.597 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.072 -1.593 6.340 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.207 -0.086 3.152 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.044 1.303 3.885 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.984 -0.007 3.131 1.00 0.00 H new ATOM 907 N ASP A 58 12.099 2.090 3.593 1.00 0.00 N ATOM 908 CA ASP A 58 12.751 3.392 3.547 1.00 0.00 C ATOM 909 C ASP A 58 12.354 4.242 4.748 1.00 0.00 C ATOM 910 O ASP A 58 11.618 5.215 4.601 1.00 0.00 O ATOM 911 CB ASP A 58 12.414 4.141 2.258 1.00 0.00 C ATOM 912 CG ASP A 58 12.556 3.291 1.015 1.00 0.00 C ATOM 913 OD1 ASP A 58 13.521 2.496 0.930 1.00 0.00 O ATOM 914 OD2 ASP A 58 11.700 3.421 0.122 1.00 0.00 O ATOM 0 H ASP A 58 12.726 1.314 3.381 1.00 0.00 H new ATOM 0 HA ASP A 58 13.826 3.214 3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.391 4.513 2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.065 5.011 2.171 1.00 0.00 H new ATOM 919 N PRO A 59 12.839 3.886 5.953 1.00 0.00 N ATOM 920 CA PRO A 59 12.436 4.544 7.208 1.00 0.00 C ATOM 921 C PRO A 59 12.524 6.067 7.144 1.00 0.00 C ATOM 922 O PRO A 59 11.670 6.771 7.685 1.00 0.00 O ATOM 923 CB PRO A 59 13.433 3.993 8.228 1.00 0.00 C ATOM 924 CG PRO A 59 13.816 2.659 7.688 1.00 0.00 C ATOM 925 CD PRO A 59 13.813 2.804 6.191 1.00 0.00 C ATOM 0 HA PRO A 59 11.392 4.342 7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.301 4.645 8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.983 3.907 9.217 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.800 2.359 8.049 1.00 0.00 H new ATOM 0 HG3 PRO A 59 13.111 1.891 8.007 1.00 0.00 H new ATOM 0 HD2 PRO A 59 14.801 3.062 5.811 1.00 0.00 H new ATOM 0 HD3 PRO A 59 13.514 1.879 5.698 1.00 0.00 H new ATOM 933 N ARG A 60 13.543 6.571 6.460 1.00 0.00 N ATOM 934 CA ARG A 60 13.751 8.011 6.363 1.00 0.00 C ATOM 935 C ARG A 60 12.669 8.640 5.492 1.00 0.00 C ATOM 936 O ARG A 60 12.082 9.665 5.845 1.00 0.00 O ATOM 937 CB ARG A 60 15.127 8.329 5.762 1.00 0.00 C ATOM 938 CG ARG A 60 16.237 7.361 6.147 1.00 0.00 C ATOM 939 CD ARG A 60 16.601 7.439 7.623 1.00 0.00 C ATOM 940 NE ARG A 60 17.678 6.503 7.951 1.00 0.00 N ATOM 941 CZ ARG A 60 18.290 6.435 9.133 1.00 0.00 C ATOM 942 NH1 ARG A 60 17.960 7.271 10.114 1.00 0.00 N ATOM 943 NH2 ARG A 60 19.248 5.536 9.326 1.00 0.00 N ATOM 0 H ARG A 60 14.236 6.008 5.966 1.00 0.00 H new ATOM 0 HA ARG A 60 13.701 8.424 7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 60 15.038 8.342 4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 60 15.418 9.333 6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 60 15.926 6.344 5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 60 17.122 7.573 5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 60 16.910 8.454 7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.723 7.215 8.229 1.00 0.00 H new ATOM 0 HE ARG A 60 17.982 5.857 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.233 7.971 9.965 1.00 0.00 H new ATOM 0 HH12 ARG A 60 18.434 7.212 11.015 1.00 0.00 H new ATOM 0 HH21 ARG A 60 19.512 4.902 8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 60 19.720 5.479 10.228 1.00 0.00 H new ATOM 957 N GLU A 61 12.399 8.009 4.359 1.00 0.00 N ATOM 958 CA GLU A 61 11.387 8.493 3.434 1.00 0.00 C ATOM 959 C GLU A 61 10.002 8.301 4.043 1.00 0.00 C ATOM 960 O GLU A 61 9.115 9.139 3.885 1.00 0.00 O ATOM 961 CB GLU A 61 11.483 7.743 2.103 1.00 0.00 C ATOM 962 CG GLU A 61 12.854 7.807 1.449 1.00 0.00 C ATOM 963 CD GLU A 61 13.263 9.215 1.077 1.00 0.00 C ATOM 964 OE1 GLU A 61 13.861 9.909 1.925 1.00 0.00 O ATOM 965 OE2 GLU A 61 12.999 9.630 -0.071 1.00 0.00 O ATOM 0 H GLU A 61 12.870 7.156 4.058 1.00 0.00 H new ATOM 0 HA GLU A 61 11.554 9.554 3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.220 6.698 2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.745 8.153 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.595 7.386 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.853 7.186 0.554 1.00 0.00 H new ATOM 972 N GLN A 62 9.846 7.195 4.759 1.00 0.00 N ATOM 973 CA GLN A 62 8.603 6.858 5.422 1.00 0.00 C ATOM 974 C GLN A 62 8.210 7.934 6.430 1.00 0.00 C ATOM 975 O GLN A 62 7.079 8.419 6.419 1.00 0.00 O ATOM 976 CB GLN A 62 8.753 5.508 6.120 1.00 0.00 C ATOM 977 CG GLN A 62 7.505 5.055 6.845 1.00 0.00 C ATOM 978 CD GLN A 62 7.672 3.700 7.504 1.00 0.00 C ATOM 979 OE1 GLN A 62 8.768 3.324 7.916 1.00 0.00 O ATOM 980 NE2 GLN A 62 6.581 2.956 7.612 1.00 0.00 N ATOM 0 H GLN A 62 10.586 6.506 4.894 1.00 0.00 H new ATOM 0 HA GLN A 62 7.812 6.797 4.675 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.026 4.755 5.380 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.575 5.567 6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.241 5.793 7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.675 5.012 6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.690 3.303 7.258 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.632 2.036 8.049 1.00 0.00 H new ATOM 989 N LEU A 63 9.156 8.329 7.279 1.00 0.00 N ATOM 990 CA LEU A 63 8.875 9.319 8.311 1.00 0.00 C ATOM 991 C LEU A 63 8.585 10.676 7.678 1.00 0.00 C ATOM 992 O LEU A 63 7.786 11.460 8.192 1.00 0.00 O ATOM 993 CB LEU A 63 10.052 9.419 9.287 1.00 0.00 C ATOM 994 CG LEU A 63 9.823 10.322 10.503 1.00 0.00 C ATOM 995 CD1 LEU A 63 8.651 9.819 11.333 1.00 0.00 C ATOM 996 CD2 LEU A 63 11.083 10.398 11.355 1.00 0.00 C ATOM 0 H LEU A 63 10.115 7.981 7.272 1.00 0.00 H new ATOM 0 HA LEU A 63 7.993 9.003 8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.295 8.417 9.641 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.923 9.785 8.743 1.00 0.00 H new ATOM 0 HG LEU A 63 9.585 11.324 10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.505 10.474 12.192 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.748 9.815 10.722 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.859 8.807 11.680 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.903 11.044 12.215 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.349 9.399 11.701 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.900 10.806 10.760 1.00 0.00 H new ATOM 1008 N THR A 64 9.219 10.933 6.543 1.00 0.00 N ATOM 1009 CA THR A 64 9.008 12.172 5.812 1.00 0.00 C ATOM 1010 C THR A 64 7.601 12.220 5.206 1.00 0.00 C ATOM 1011 O THR A 64 6.919 13.246 5.269 1.00 0.00 O ATOM 1012 CB THR A 64 10.064 12.331 4.698 1.00 0.00 C ATOM 1013 OG1 THR A 64 11.384 12.230 5.259 1.00 0.00 O ATOM 1014 CG2 THR A 64 9.922 13.670 3.990 1.00 0.00 C ATOM 0 H THR A 64 9.886 10.296 6.108 1.00 0.00 H new ATOM 0 HA THR A 64 9.110 12.996 6.518 1.00 0.00 H new ATOM 0 HB THR A 64 9.906 11.535 3.970 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.598 11.288 5.423 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.680 13.752 3.211 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.931 13.741 3.541 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.053 14.478 4.710 1.00 0.00 H new ATOM 1022 N ALA A 65 7.164 11.095 4.648 1.00 0.00 N ATOM 1023 CA ALA A 65 5.868 11.021 3.986 1.00 0.00 C ATOM 1024 C ALA A 65 4.723 11.139 4.985 1.00 0.00 C ATOM 1025 O ALA A 65 3.777 11.897 4.764 1.00 0.00 O ATOM 1026 CB ALA A 65 5.755 9.726 3.191 1.00 0.00 C ATOM 0 H ALA A 65 7.690 10.221 4.642 1.00 0.00 H new ATOM 0 HA ALA A 65 5.793 11.864 3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.782 9.683 2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.542 9.692 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.860 8.875 3.864 1.00 0.00 H new ATOM 1032 N VAL A 66 4.822 10.412 6.094 1.00 0.00 N ATOM 1033 CA VAL A 66 3.773 10.426 7.111 1.00 0.00 C ATOM 1034 C VAL A 66 3.612 11.824 7.705 1.00 0.00 C ATOM 1035 O VAL A 66 2.501 12.258 8.023 1.00 0.00 O ATOM 1036 CB VAL A 66 4.063 9.409 8.239 1.00 0.00 C ATOM 1037 CG1 VAL A 66 2.979 9.442 9.305 1.00 0.00 C ATOM 1038 CG2 VAL A 66 4.192 8.007 7.670 1.00 0.00 C ATOM 0 H VAL A 66 5.614 9.808 6.312 1.00 0.00 H new ATOM 0 HA VAL A 66 2.843 10.138 6.620 1.00 0.00 H new ATOM 0 HB VAL A 66 5.007 9.691 8.706 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.212 8.716 10.084 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.929 10.439 9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.018 9.195 8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.396 7.304 8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.263 7.729 7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.010 7.980 6.950 1.00 0.00 H new ATOM 1048 N LYS A 67 4.729 12.532 7.823 1.00 0.00 N ATOM 1049 CA LYS A 67 4.732 13.886 8.356 1.00 0.00 C ATOM 1050 C LYS A 67 3.856 14.801 7.511 1.00 0.00 C ATOM 1051 O LYS A 67 3.091 15.614 8.032 1.00 0.00 O ATOM 1052 CB LYS A 67 6.160 14.426 8.382 1.00 0.00 C ATOM 1053 CG LYS A 67 6.296 15.777 9.063 1.00 0.00 C ATOM 1054 CD LYS A 67 7.728 16.288 9.019 1.00 0.00 C ATOM 1055 CE LYS A 67 8.685 15.326 9.707 1.00 0.00 C ATOM 1056 NZ LYS A 67 10.095 15.786 9.634 1.00 0.00 N ATOM 0 H LYS A 67 5.650 12.186 7.554 1.00 0.00 H new ATOM 0 HA LYS A 67 4.331 13.859 9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.800 13.707 8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.526 14.508 7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.638 16.497 8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.970 15.696 10.100 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.034 16.428 7.982 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.782 17.264 9.501 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.395 15.214 10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.602 14.342 9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.710 15.099 10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.382 15.868 8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.182 16.713 10.097 1.00 0.00 H new ATOM 1070 N ASP A 68 3.966 14.655 6.201 1.00 0.00 N ATOM 1071 CA ASP A 68 3.202 15.487 5.287 1.00 0.00 C ATOM 1072 C ASP A 68 1.732 15.113 5.339 1.00 0.00 C ATOM 1073 O ASP A 68 0.857 15.980 5.303 1.00 0.00 O ATOM 1074 CB ASP A 68 3.715 15.337 3.859 1.00 0.00 C ATOM 1075 CG ASP A 68 3.118 16.373 2.927 1.00 0.00 C ATOM 1076 OD1 ASP A 68 3.521 17.555 3.007 1.00 0.00 O ATOM 1077 OD2 ASP A 68 2.241 16.018 2.115 1.00 0.00 O ATOM 0 H ASP A 68 4.574 13.972 5.749 1.00 0.00 H new ATOM 0 HA ASP A 68 3.322 16.525 5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.801 15.428 3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.476 14.339 3.491 1.00 0.00 H new ATOM 1082 N MET A 69 1.478 13.815 5.446 1.00 0.00 N ATOM 1083 CA MET A 69 0.114 13.287 5.476 1.00 0.00 C ATOM 1084 C MET A 69 -0.706 13.916 6.600 1.00 0.00 C ATOM 1085 O MET A 69 -1.821 14.391 6.371 1.00 0.00 O ATOM 1086 CB MET A 69 0.127 11.766 5.654 1.00 0.00 C ATOM 1087 CG MET A 69 0.815 11.019 4.525 1.00 0.00 C ATOM 1088 SD MET A 69 0.951 9.251 4.851 1.00 0.00 S ATOM 1089 CE MET A 69 1.984 8.746 3.480 1.00 0.00 C ATOM 0 H MET A 69 2.203 13.101 5.514 1.00 0.00 H new ATOM 0 HA MET A 69 -0.349 13.540 4.522 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.625 11.524 6.593 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.900 11.411 5.738 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.260 11.173 3.600 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.811 11.435 4.372 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.631 7.791 3.091 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.936 9.498 2.692 1.00 0.00 H new ATOM 0 HE3 MET A 69 3.014 8.641 3.820 1.00 0.00 H new ATOM 1099 N ARG A 70 -0.143 13.956 7.806 1.00 0.00 N ATOM 1100 CA ARG A 70 -0.875 14.479 8.958 1.00 0.00 C ATOM 1101 C ARG A 70 -1.028 15.995 8.867 1.00 0.00 C ATOM 1102 O ARG A 70 -1.944 16.573 9.450 1.00 0.00 O ATOM 1103 CB ARG A 70 -0.226 14.044 10.284 1.00 0.00 C ATOM 1104 CG ARG A 70 1.245 14.406 10.450 1.00 0.00 C ATOM 1105 CD ARG A 70 1.437 15.839 10.928 1.00 0.00 C ATOM 1106 NE ARG A 70 2.834 16.112 11.260 1.00 0.00 N ATOM 1107 CZ ARG A 70 3.444 17.282 11.075 1.00 0.00 C ATOM 1108 NH1 ARG A 70 2.774 18.326 10.600 1.00 0.00 N ATOM 1109 NH2 ARG A 70 4.725 17.410 11.400 1.00 0.00 N ATOM 0 H ARG A 70 0.804 13.637 8.010 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.877 14.049 8.941 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.786 14.491 11.105 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.328 12.963 10.380 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.707 13.723 11.163 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.760 14.271 9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.105 16.529 10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.813 16.018 11.803 1.00 0.00 H new ATOM 0 HE ARG A 70 3.382 15.352 11.663 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.784 18.236 10.373 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.250 19.218 10.462 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.234 16.616 11.788 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.200 18.302 11.262 1.00 0.00 H new ATOM 1123 N LYS A 71 -0.132 16.631 8.122 1.00 0.00 N ATOM 1124 CA LYS A 71 -0.210 18.068 7.889 1.00 0.00 C ATOM 1125 C LYS A 71 -1.389 18.376 6.968 1.00 0.00 C ATOM 1126 O LYS A 71 -2.054 19.403 7.102 1.00 0.00 O ATOM 1127 CB LYS A 71 1.110 18.566 7.278 1.00 0.00 C ATOM 1128 CG LYS A 71 1.260 20.085 7.230 1.00 0.00 C ATOM 1129 CD LYS A 71 0.674 20.700 5.959 1.00 0.00 C ATOM 1130 CE LYS A 71 1.598 20.545 4.753 1.00 0.00 C ATOM 1131 NZ LYS A 71 1.725 19.134 4.302 1.00 0.00 N ATOM 0 H LYS A 71 0.658 16.173 7.668 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.368 18.586 8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.939 18.151 7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.196 18.174 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.768 20.521 8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.317 20.343 7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.285 20.230 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.478 21.759 6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.219 21.152 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.585 20.931 5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.175 19.108 3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.308 18.604 4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.781 18.702 4.244 1.00 0.00 H new ATOM 1145 N ASN A 72 -1.650 17.460 6.044 1.00 0.00 N ATOM 1146 CA ASN A 72 -2.727 17.633 5.069 1.00 0.00 C ATOM 1147 C ASN A 72 -4.070 17.201 5.652 1.00 0.00 C ATOM 1148 O ASN A 72 -5.126 17.518 5.101 1.00 0.00 O ATOM 1149 CB ASN A 72 -2.438 16.829 3.797 1.00 0.00 C ATOM 1150 CG ASN A 72 -1.110 17.187 3.163 1.00 0.00 C ATOM 1151 OD1 ASN A 72 -0.633 18.316 3.277 1.00 0.00 O ATOM 1152 ND2 ASN A 72 -0.498 16.221 2.493 1.00 0.00 N ATOM 0 H ASN A 72 -1.131 16.587 5.947 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.778 18.693 4.819 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.446 15.765 4.036 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.237 17.000 3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.402 16.400 2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.927 15.298 2.422 1.00 0.00 H new ATOM 1159 N GLY A 73 -4.020 16.472 6.760 1.00 0.00 N ATOM 1160 CA GLY A 73 -5.235 16.034 7.420 1.00 0.00 C ATOM 1161 C GLY A 73 -5.582 14.589 7.108 1.00 0.00 C ATOM 1162 O GLY A 73 -6.746 14.189 7.203 1.00 0.00 O ATOM 0 H GLY A 73 -3.156 16.175 7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.121 16.152 8.498 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.061 16.676 7.115 1.00 0.00 H new ATOM 1166 N TRP A 74 -4.578 13.809 6.731 1.00 0.00 N ATOM 1167 CA TRP A 74 -4.773 12.402 6.409 1.00 0.00 C ATOM 1168 C TRP A 74 -3.825 11.532 7.222 1.00 0.00 C ATOM 1169 O TRP A 74 -2.939 12.042 7.907 1.00 0.00 O ATOM 1170 CB TRP A 74 -4.558 12.161 4.915 1.00 0.00 C ATOM 1171 CG TRP A 74 -5.673 12.693 4.072 1.00 0.00 C ATOM 1172 CD1 TRP A 74 -6.984 12.335 4.150 1.00 0.00 C ATOM 1173 CD2 TRP A 74 -5.581 13.663 3.022 1.00 0.00 C ATOM 1174 NE1 TRP A 74 -7.717 13.020 3.215 1.00 0.00 N ATOM 1175 CE2 TRP A 74 -6.880 13.841 2.507 1.00 0.00 C ATOM 1176 CE3 TRP A 74 -4.532 14.396 2.465 1.00 0.00 C ATOM 1177 CZ2 TRP A 74 -7.153 14.720 1.466 1.00 0.00 C ATOM 1178 CZ3 TRP A 74 -4.805 15.271 1.431 1.00 0.00 C ATOM 1179 CH2 TRP A 74 -6.107 15.426 0.938 1.00 0.00 C ATOM 0 H TRP A 74 -3.614 14.130 6.640 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.798 12.132 6.663 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.622 12.629 4.608 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.453 11.091 4.736 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -7.388 11.616 4.847 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.723 12.932 3.070 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -3.524 14.281 2.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -8.157 14.842 1.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -4.001 15.845 0.995 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -6.288 16.115 0.127 1.00 0.00 H new ATOM 1190 N VAL A 75 -4.016 10.224 7.147 1.00 0.00 N ATOM 1191 CA VAL A 75 -3.184 9.288 7.891 1.00 0.00 C ATOM 1192 C VAL A 75 -2.677 8.169 6.987 1.00 0.00 C ATOM 1193 O VAL A 75 -3.164 7.994 5.867 1.00 0.00 O ATOM 1194 CB VAL A 75 -3.944 8.668 9.088 1.00 0.00 C ATOM 1195 CG1 VAL A 75 -4.266 9.732 10.128 1.00 0.00 C ATOM 1196 CG2 VAL A 75 -5.216 7.970 8.622 1.00 0.00 C ATOM 0 H VAL A 75 -4.740 9.785 6.578 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.338 9.858 8.274 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.298 7.921 9.549 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.800 9.276 10.962 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.340 10.178 10.491 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.889 10.505 9.677 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.732 7.542 9.482 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.868 8.692 8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.959 7.176 7.921 1.00 0.00 H new ATOM 1206 N MET A 76 -1.701 7.419 7.482 1.00 0.00 N ATOM 1207 CA MET A 76 -1.137 6.300 6.742 1.00 0.00 C ATOM 1208 C MET A 76 -2.018 5.065 6.904 1.00 0.00 C ATOM 1209 O MET A 76 -2.349 4.667 8.021 1.00 0.00 O ATOM 1210 CB MET A 76 0.288 6.006 7.226 1.00 0.00 C ATOM 1211 CG MET A 76 0.971 4.876 6.471 1.00 0.00 C ATOM 1212 SD MET A 76 2.617 4.499 7.109 1.00 0.00 S ATOM 1213 CE MET A 76 2.240 4.072 8.806 1.00 0.00 C ATOM 0 H MET A 76 -1.282 7.568 8.400 1.00 0.00 H new ATOM 0 HA MET A 76 -1.096 6.564 5.685 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.889 6.910 7.129 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.257 5.756 8.286 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.351 3.981 6.528 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.048 5.144 5.417 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.035 3.444 9.208 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.160 4.982 9.401 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.295 3.530 8.843 1.00 0.00 H new ATOM 1223 N LEU A 77 -2.400 4.474 5.784 1.00 0.00 N ATOM 1224 CA LEU A 77 -3.286 3.315 5.783 1.00 0.00 C ATOM 1225 C LEU A 77 -2.478 2.030 5.902 1.00 0.00 C ATOM 1226 O LEU A 77 -2.962 1.008 6.398 1.00 0.00 O ATOM 1227 CB LEU A 77 -4.095 3.286 4.487 1.00 0.00 C ATOM 1228 CG LEU A 77 -4.664 4.635 4.051 1.00 0.00 C ATOM 1229 CD1 LEU A 77 -5.362 4.498 2.715 1.00 0.00 C ATOM 1230 CD2 LEU A 77 -5.620 5.185 5.093 1.00 0.00 C ATOM 0 H LEU A 77 -2.109 4.779 4.855 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.961 3.391 6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.460 2.901 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.919 2.582 4.606 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.837 5.338 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.764 5.465 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.650 4.152 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.176 3.778 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.010 6.146 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.445 4.487 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.092 5.318 6.037 1.00 0.00 H new ATOM 1242 N GLY A 78 -1.244 2.101 5.439 1.00 0.00 N ATOM 1243 CA GLY A 78 -0.377 0.949 5.423 1.00 0.00 C ATOM 1244 C GLY A 78 0.632 1.054 4.306 1.00 0.00 C ATOM 1245 O GLY A 78 1.002 2.162 3.911 1.00 0.00 O ATOM 0 H GLY A 78 -0.822 2.952 5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.140 0.864 6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.970 0.043 5.299 1.00 0.00 H new ATOM 1249 N ASN A 79 1.060 -0.076 3.772 1.00 0.00 N ATOM 1250 CA ASN A 79 2.041 -0.078 2.700 1.00 0.00 C ATOM 1251 C ASN A 79 1.633 -1.033 1.600 1.00 0.00 C ATOM 1252 O ASN A 79 0.753 -1.876 1.782 1.00 0.00 O ATOM 1253 CB ASN A 79 3.432 -0.473 3.208 1.00 0.00 C ATOM 1254 CG ASN A 79 3.483 -1.894 3.751 1.00 0.00 C ATOM 1255 OD1 ASN A 79 3.724 -2.850 3.007 1.00 0.00 O ATOM 1256 ND2 ASN A 79 3.274 -2.042 5.051 1.00 0.00 N ATOM 0 H ASN A 79 0.745 -1.002 4.062 1.00 0.00 H new ATOM 0 HA ASN A 79 2.084 0.938 2.308 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.152 -0.374 2.395 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.738 0.221 3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.309 -2.971 5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.078 -1.227 5.632 1.00 0.00 H new ATOM 1263 N PHE A 80 2.296 -0.904 0.472 1.00 0.00 N ATOM 1264 CA PHE A 80 2.086 -1.805 -0.641 1.00 0.00 C ATOM 1265 C PHE A 80 3.430 -2.220 -1.215 1.00 0.00 C ATOM 1266 O PHE A 80 4.366 -1.423 -1.269 1.00 0.00 O ATOM 1267 CB PHE A 80 1.200 -1.173 -1.728 1.00 0.00 C ATOM 1268 CG PHE A 80 1.817 0.000 -2.448 1.00 0.00 C ATOM 1269 CD1 PHE A 80 1.647 1.290 -1.976 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.556 -0.190 -3.609 1.00 0.00 C ATOM 1271 CE1 PHE A 80 2.205 2.366 -2.640 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.113 0.884 -4.279 1.00 0.00 C ATOM 1273 CZ PHE A 80 2.939 2.164 -3.791 1.00 0.00 C ATOM 0 H PHE A 80 2.991 -0.177 0.300 1.00 0.00 H new ATOM 0 HA PHE A 80 1.560 -2.687 -0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.948 -1.939 -2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.265 -0.849 -1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.071 1.458 -1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.697 -1.189 -3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.066 3.366 -2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.683 0.722 -5.182 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.376 3.005 -4.309 1.00 0.00 H new ATOM 1283 N HIS A 81 3.535 -3.476 -1.596 1.00 0.00 N ATOM 1284 CA HIS A 81 4.758 -3.991 -2.184 1.00 0.00 C ATOM 1285 C HIS A 81 4.441 -4.975 -3.300 1.00 0.00 C ATOM 1286 O HIS A 81 3.531 -5.797 -3.178 1.00 0.00 O ATOM 1287 CB HIS A 81 5.663 -4.621 -1.115 1.00 0.00 C ATOM 1288 CG HIS A 81 4.968 -5.528 -0.137 1.00 0.00 C ATOM 1289 ND1 HIS A 81 4.366 -5.075 1.018 1.00 0.00 N ATOM 1290 CD2 HIS A 81 4.830 -6.874 -0.123 1.00 0.00 C ATOM 1291 CE1 HIS A 81 3.893 -6.102 1.697 1.00 0.00 C ATOM 1292 NE2 HIS A 81 4.161 -7.209 1.031 1.00 0.00 N ATOM 0 H HIS A 81 2.786 -4.163 -1.509 1.00 0.00 H new ATOM 0 HA HIS A 81 5.307 -3.157 -2.621 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.448 -5.187 -1.615 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.152 -3.821 -0.559 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.297 -4.098 1.303 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.181 -7.560 -0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.373 -6.046 2.642 1.00 0.00 H new ATOM 0 HE2 HIS A 81 3.914 -8.154 1.323 1.00 0.00 H new ATOM 1301 N SER A 82 5.196 -4.890 -4.381 1.00 0.00 N ATOM 1302 CA SER A 82 4.892 -5.642 -5.588 1.00 0.00 C ATOM 1303 C SER A 82 5.963 -6.690 -5.873 1.00 0.00 C ATOM 1304 O SER A 82 7.152 -6.423 -5.727 1.00 0.00 O ATOM 1305 CB SER A 82 4.787 -4.684 -6.774 1.00 0.00 C ATOM 1306 OG SER A 82 3.924 -3.598 -6.478 1.00 0.00 O ATOM 0 H SER A 82 6.029 -4.305 -4.449 1.00 0.00 H new ATOM 0 HA SER A 82 3.943 -6.157 -5.438 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.777 -4.307 -7.029 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.415 -5.220 -7.647 1.00 0.00 H new ATOM 0 HG SER A 82 4.371 -2.755 -6.700 1.00 0.00 H new ATOM 1312 N HIS A 83 5.526 -7.874 -6.281 1.00 0.00 N ATOM 1313 CA HIS A 83 6.434 -8.968 -6.599 1.00 0.00 C ATOM 1314 C HIS A 83 6.327 -9.332 -8.078 1.00 0.00 C ATOM 1315 O HIS A 83 5.241 -9.257 -8.660 1.00 0.00 O ATOM 1316 CB HIS A 83 6.144 -10.178 -5.701 1.00 0.00 C ATOM 1317 CG HIS A 83 6.810 -10.081 -4.359 1.00 0.00 C ATOM 1318 ND1 HIS A 83 7.246 -11.175 -3.651 1.00 0.00 N ATOM 1319 CD2 HIS A 83 7.152 -9.000 -3.621 1.00 0.00 C ATOM 1320 CE1 HIS A 83 7.833 -10.769 -2.541 1.00 0.00 C ATOM 1321 NE2 HIS A 83 7.796 -9.450 -2.494 1.00 0.00 N ATOM 0 H HIS A 83 4.539 -8.102 -6.400 1.00 0.00 H new ATOM 0 HA HIS A 83 7.458 -8.648 -6.407 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.067 -10.271 -5.561 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.479 -11.086 -6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.954 -7.969 -3.873 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.272 -11.412 -1.792 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.179 -8.867 -1.750 1.00 0.00 H new ATOM 1330 N PRO A 84 7.459 -9.720 -8.699 1.00 0.00 N ATOM 1331 CA PRO A 84 7.556 -9.932 -10.151 1.00 0.00 C ATOM 1332 C PRO A 84 6.542 -10.932 -10.694 1.00 0.00 C ATOM 1333 O PRO A 84 5.770 -10.606 -11.588 1.00 0.00 O ATOM 1334 CB PRO A 84 8.987 -10.455 -10.355 1.00 0.00 C ATOM 1335 CG PRO A 84 9.453 -10.872 -9.002 1.00 0.00 C ATOM 1336 CD PRO A 84 8.742 -9.979 -8.028 1.00 0.00 C ATOM 0 HA PRO A 84 7.340 -9.010 -10.690 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.003 -11.293 -11.052 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.632 -9.682 -10.772 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.219 -11.920 -8.814 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.534 -10.766 -8.912 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.602 -10.464 -7.062 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.296 -9.058 -7.845 1.00 0.00 H new ATOM 1344 N ALA A 85 6.535 -12.137 -10.156 1.00 0.00 N ATOM 1345 CA ALA A 85 5.634 -13.164 -10.652 1.00 0.00 C ATOM 1346 C ALA A 85 5.425 -14.259 -9.619 1.00 0.00 C ATOM 1347 O ALA A 85 5.921 -15.374 -9.763 1.00 0.00 O ATOM 1348 CB ALA A 85 6.152 -13.755 -11.958 1.00 0.00 C ATOM 0 H ALA A 85 7.135 -12.428 -9.384 1.00 0.00 H new ATOM 0 HA ALA A 85 4.670 -12.693 -10.844 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.461 -14.521 -12.310 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.232 -12.967 -12.707 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.133 -14.200 -11.792 1.00 0.00 H new ATOM 1354 N THR A 86 4.720 -13.916 -8.563 1.00 0.00 N ATOM 1355 CA THR A 86 4.361 -14.876 -7.534 1.00 0.00 C ATOM 1356 C THR A 86 2.924 -14.638 -7.076 1.00 0.00 C ATOM 1357 O THR A 86 2.357 -13.586 -7.368 1.00 0.00 O ATOM 1358 CB THR A 86 5.319 -14.789 -6.325 1.00 0.00 C ATOM 1359 OG1 THR A 86 5.556 -13.423 -5.969 1.00 0.00 O ATOM 1360 CG2 THR A 86 6.645 -15.477 -6.615 1.00 0.00 C ATOM 0 H THR A 86 4.380 -12.970 -8.391 1.00 0.00 H new ATOM 0 HA THR A 86 4.446 -15.875 -7.962 1.00 0.00 H new ATOM 0 HB THR A 86 4.839 -15.302 -5.491 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.163 -13.386 -5.201 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.295 -15.397 -5.744 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.468 -16.529 -6.840 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.124 -14.999 -7.470 1.00 0.00 H new ATOM 1368 N PRO A 87 2.305 -15.611 -6.382 1.00 0.00 N ATOM 1369 CA PRO A 87 0.946 -15.456 -5.839 1.00 0.00 C ATOM 1370 C PRO A 87 0.862 -14.322 -4.818 1.00 0.00 C ATOM 1371 O PRO A 87 1.810 -14.084 -4.061 1.00 0.00 O ATOM 1372 CB PRO A 87 0.662 -16.807 -5.166 1.00 0.00 C ATOM 1373 CG PRO A 87 1.641 -17.754 -5.768 1.00 0.00 C ATOM 1374 CD PRO A 87 2.862 -16.940 -6.088 1.00 0.00 C ATOM 0 HA PRO A 87 0.226 -15.200 -6.616 1.00 0.00 H new ATOM 0 HB2 PRO A 87 0.789 -16.743 -4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.363 -17.131 -5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.880 -18.560 -5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.234 -18.217 -6.667 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.558 -16.910 -5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 87 3.407 -17.347 -6.940 1.00 0.00 H new ATOM 1382 N ALA A 88 -0.278 -13.634 -4.794 1.00 0.00 N ATOM 1383 CA ALA A 88 -0.480 -12.500 -3.897 1.00 0.00 C ATOM 1384 C ALA A 88 -0.828 -12.970 -2.493 1.00 0.00 C ATOM 1385 O ALA A 88 -1.952 -12.791 -2.031 1.00 0.00 O ATOM 1386 CB ALA A 88 -1.567 -11.578 -4.428 1.00 0.00 C ATOM 0 H ALA A 88 -1.079 -13.844 -5.389 1.00 0.00 H new ATOM 0 HA ALA A 88 0.456 -11.943 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.700 -10.740 -3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.278 -11.202 -5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.503 -12.130 -4.512 1.00 0.00 H new ATOM 1392 N ARG A 89 0.133 -13.598 -1.837 1.00 0.00 N ATOM 1393 CA ARG A 89 -0.045 -14.072 -0.473 1.00 0.00 C ATOM 1394 C ARG A 89 1.240 -13.860 0.321 1.00 0.00 C ATOM 1395 O ARG A 89 2.340 -13.980 -0.225 1.00 0.00 O ATOM 1396 CB ARG A 89 -0.467 -15.547 -0.460 1.00 0.00 C ATOM 1397 CG ARG A 89 -1.872 -15.765 -0.996 1.00 0.00 C ATOM 1398 CD ARG A 89 -2.227 -17.237 -1.089 1.00 0.00 C ATOM 1399 NE ARG A 89 -3.582 -17.428 -1.607 1.00 0.00 N ATOM 1400 CZ ARG A 89 -3.929 -18.399 -2.446 1.00 0.00 C ATOM 1401 NH1 ARG A 89 -3.018 -19.272 -2.863 1.00 0.00 N ATOM 1402 NH2 ARG A 89 -5.183 -18.489 -2.874 1.00 0.00 N ATOM 0 H ARG A 89 1.053 -13.793 -2.231 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.842 -13.498 -0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.238 -16.127 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.410 -15.927 0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.589 -15.260 -0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.958 -15.309 -1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.513 -17.745 -1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.145 -17.696 -0.104 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.306 -16.775 -1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.054 -19.197 -2.539 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.283 -20.017 -3.507 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.879 -17.813 -2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.450 -19.234 -3.518 1.00 0.00 H new ATOM 1416 N PRO A 90 1.115 -13.538 1.620 1.00 0.00 N ATOM 1417 CA PRO A 90 2.258 -13.163 2.464 1.00 0.00 C ATOM 1418 C PRO A 90 3.237 -14.310 2.693 1.00 0.00 C ATOM 1419 O PRO A 90 2.848 -15.482 2.737 1.00 0.00 O ATOM 1420 CB PRO A 90 1.609 -12.749 3.791 1.00 0.00 C ATOM 1421 CG PRO A 90 0.294 -13.448 3.806 1.00 0.00 C ATOM 1422 CD PRO A 90 -0.152 -13.523 2.375 1.00 0.00 C ATOM 0 HA PRO A 90 2.853 -12.379 1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.224 -13.045 4.641 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.483 -11.668 3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.387 -14.444 4.238 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -0.430 -12.904 4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -0.743 -14.419 2.185 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -0.772 -12.669 2.102 1.00 0.00 H new ATOM 1430 N SER A 91 4.507 -13.961 2.815 1.00 0.00 N ATOM 1431 CA SER A 91 5.551 -14.921 3.127 1.00 0.00 C ATOM 1432 C SER A 91 6.031 -14.708 4.563 1.00 0.00 C ATOM 1433 O SER A 91 5.479 -13.874 5.289 1.00 0.00 O ATOM 1434 CB SER A 91 6.709 -14.754 2.141 1.00 0.00 C ATOM 1435 OG SER A 91 6.227 -14.720 0.805 1.00 0.00 O ATOM 0 H SER A 91 4.842 -13.005 2.700 1.00 0.00 H new ATOM 0 HA SER A 91 5.159 -15.934 3.038 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.251 -13.835 2.361 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.415 -15.576 2.258 1.00 0.00 H new ATOM 0 HG SER A 91 6.981 -14.611 0.188 1.00 0.00 H new ATOM 1441 N ALA A 92 7.053 -15.452 4.971 1.00 0.00 N ATOM 1442 CA ALA A 92 7.606 -15.320 6.314 1.00 0.00 C ATOM 1443 C ALA A 92 8.147 -13.913 6.548 1.00 0.00 C ATOM 1444 O ALA A 92 7.996 -13.351 7.635 1.00 0.00 O ATOM 1445 CB ALA A 92 8.700 -16.352 6.535 1.00 0.00 C ATOM 0 H ALA A 92 7.515 -16.153 4.391 1.00 0.00 H new ATOM 0 HA ALA A 92 6.804 -15.496 7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.105 -16.243 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.285 -17.353 6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.496 -16.201 5.805 1.00 0.00 H new ATOM 1451 N GLU A 93 8.772 -13.347 5.521 1.00 0.00 N ATOM 1452 CA GLU A 93 9.312 -11.995 5.601 1.00 0.00 C ATOM 1453 C GLU A 93 8.197 -10.976 5.815 1.00 0.00 C ATOM 1454 O GLU A 93 8.359 -10.033 6.588 1.00 0.00 O ATOM 1455 CB GLU A 93 10.106 -11.640 4.342 1.00 0.00 C ATOM 1456 CG GLU A 93 11.224 -12.623 4.025 1.00 0.00 C ATOM 1457 CD GLU A 93 10.793 -13.715 3.068 1.00 0.00 C ATOM 1458 OE1 GLU A 93 9.924 -14.533 3.437 1.00 0.00 O ATOM 1459 OE2 GLU A 93 11.333 -13.764 1.943 1.00 0.00 O ATOM 0 H GLU A 93 8.917 -13.805 4.621 1.00 0.00 H new ATOM 0 HA GLU A 93 9.987 -11.963 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.423 -11.594 3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.533 -10.644 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.066 -12.081 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.576 -13.077 4.952 1.00 0.00 H new ATOM 1466 N ASP A 94 7.065 -11.177 5.142 1.00 0.00 N ATOM 1467 CA ASP A 94 5.919 -10.282 5.293 1.00 0.00 C ATOM 1468 C ASP A 94 5.437 -10.291 6.737 1.00 0.00 C ATOM 1469 O ASP A 94 5.121 -9.246 7.304 1.00 0.00 O ATOM 1470 CB ASP A 94 4.759 -10.686 4.372 1.00 0.00 C ATOM 1471 CG ASP A 94 5.068 -10.532 2.894 1.00 0.00 C ATOM 1472 OD1 ASP A 94 4.846 -9.430 2.337 1.00 0.00 O ATOM 1473 OD2 ASP A 94 5.507 -11.523 2.271 1.00 0.00 O ATOM 0 H ASP A 94 6.917 -11.947 4.490 1.00 0.00 H new ATOM 0 HA ASP A 94 6.247 -9.280 5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.493 -11.724 4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.886 -10.081 4.616 1.00 0.00 H new ATOM 1478 N LYS A 95 5.401 -11.479 7.336 1.00 0.00 N ATOM 1479 CA LYS A 95 4.947 -11.626 8.716 1.00 0.00 C ATOM 1480 C LYS A 95 5.953 -11.004 9.682 1.00 0.00 C ATOM 1481 O LYS A 95 5.580 -10.506 10.742 1.00 0.00 O ATOM 1482 CB LYS A 95 4.719 -13.108 9.055 1.00 0.00 C ATOM 1483 CG LYS A 95 4.063 -13.340 10.411 1.00 0.00 C ATOM 1484 CD LYS A 95 3.812 -14.819 10.667 1.00 0.00 C ATOM 1485 CE LYS A 95 3.081 -15.047 11.985 1.00 0.00 C ATOM 1486 NZ LYS A 95 1.716 -14.445 11.988 1.00 0.00 N ATOM 0 H LYS A 95 5.680 -12.352 6.888 1.00 0.00 H new ATOM 0 HA LYS A 95 3.999 -11.099 8.822 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.096 -13.556 8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.677 -13.627 9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.701 -12.937 11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 95 3.119 -12.797 10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.225 -15.235 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.763 -15.352 10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.004 -16.118 12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.665 -14.621 12.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.019 -15.167 12.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.685 -13.659 12.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.492 -14.088 11.037 1.00 0.00 H new ATOM 1500 N ARG A 96 7.227 -11.027 9.307 1.00 0.00 N ATOM 1501 CA ARG A 96 8.275 -10.415 10.119 1.00 0.00 C ATOM 1502 C ARG A 96 8.188 -8.894 10.075 1.00 0.00 C ATOM 1503 O ARG A 96 8.513 -8.216 11.050 1.00 0.00 O ATOM 1504 CB ARG A 96 9.654 -10.863 9.642 1.00 0.00 C ATOM 1505 CG ARG A 96 10.022 -12.267 10.076 1.00 0.00 C ATOM 1506 CD ARG A 96 11.359 -12.686 9.491 1.00 0.00 C ATOM 1507 NE ARG A 96 11.835 -13.941 10.068 1.00 0.00 N ATOM 1508 CZ ARG A 96 12.285 -14.972 9.357 1.00 0.00 C ATOM 1509 NH1 ARG A 96 12.296 -14.915 8.031 1.00 0.00 N ATOM 1510 NH2 ARG A 96 12.712 -16.063 9.976 1.00 0.00 N ATOM 0 H ARG A 96 7.560 -11.462 8.447 1.00 0.00 H new ATOM 0 HA ARG A 96 8.127 -10.742 11.148 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.688 -10.808 8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.403 -10.167 10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.066 -12.315 11.164 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.247 -12.964 9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.265 -12.796 8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.095 -11.902 9.669 1.00 0.00 H new ATOM 0 HE ARG A 96 11.822 -14.033 11.084 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.959 -14.079 7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.642 -15.707 7.489 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.695 -16.111 10.995 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.057 -16.855 9.434 1.00 0.00 H new ATOM 1524 N LEU A 97 7.741 -8.368 8.941 1.00 0.00 N ATOM 1525 CA LEU A 97 7.627 -6.927 8.758 1.00 0.00 C ATOM 1526 C LEU A 97 6.350 -6.393 9.397 1.00 0.00 C ATOM 1527 O LEU A 97 6.109 -5.186 9.417 1.00 0.00 O ATOM 1528 CB LEU A 97 7.655 -6.583 7.267 1.00 0.00 C ATOM 1529 CG LEU A 97 8.960 -6.929 6.548 1.00 0.00 C ATOM 1530 CD1 LEU A 97 8.862 -6.581 5.072 1.00 0.00 C ATOM 1531 CD2 LEU A 97 10.138 -6.206 7.189 1.00 0.00 C ATOM 0 H LEU A 97 7.451 -8.919 8.133 1.00 0.00 H new ATOM 0 HA LEU A 97 8.476 -6.453 9.250 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.836 -7.106 6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.466 -5.516 7.152 1.00 0.00 H new ATOM 0 HG LEU A 97 9.127 -8.002 6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.799 -6.834 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.047 -7.146 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.669 -5.514 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.056 -6.467 6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.979 -5.129 7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.223 -6.504 8.234 1.00 0.00 H new ATOM 1543 N ALA A 98 5.534 -7.299 9.917 1.00 0.00 N ATOM 1544 CA ALA A 98 4.310 -6.920 10.597 1.00 0.00 C ATOM 1545 C ALA A 98 4.603 -6.558 12.045 1.00 0.00 C ATOM 1546 O ALA A 98 4.688 -7.427 12.916 1.00 0.00 O ATOM 1547 CB ALA A 98 3.284 -8.041 10.518 1.00 0.00 C ATOM 0 H ALA A 98 5.701 -8.305 9.879 1.00 0.00 H new ATOM 0 HA ALA A 98 3.893 -6.044 10.100 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.373 -7.737 11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.056 -8.253 9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.687 -8.937 10.990 1.00 0.00 H new ATOM 1553 N PHE A 99 4.798 -5.274 12.286 1.00 0.00 N ATOM 1554 CA PHE A 99 5.102 -4.792 13.624 1.00 0.00 C ATOM 1555 C PHE A 99 3.824 -4.531 14.411 1.00 0.00 C ATOM 1556 O PHE A 99 3.791 -4.693 15.632 1.00 0.00 O ATOM 1557 CB PHE A 99 5.960 -3.529 13.558 1.00 0.00 C ATOM 1558 CG PHE A 99 7.295 -3.754 12.900 1.00 0.00 C ATOM 1559 CD1 PHE A 99 8.266 -4.519 13.527 1.00 0.00 C ATOM 1560 CD2 PHE A 99 7.574 -3.216 11.654 1.00 0.00 C ATOM 1561 CE1 PHE A 99 9.492 -4.740 12.925 1.00 0.00 C ATOM 1562 CE2 PHE A 99 8.797 -3.435 11.046 1.00 0.00 C ATOM 1563 CZ PHE A 99 9.756 -4.199 11.683 1.00 0.00 C ATOM 0 H PHE A 99 4.752 -4.545 11.574 1.00 0.00 H new ATOM 0 HA PHE A 99 5.667 -5.566 14.143 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.418 -2.757 13.011 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.119 -3.152 14.568 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.063 -4.948 14.497 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.828 -2.619 11.152 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.241 -5.335 13.426 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.002 -3.009 10.075 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.711 -4.373 11.210 1.00 0.00 H new ATOM 1573 N ASP A 100 2.775 -4.114 13.718 1.00 0.00 N ATOM 1574 CA ASP A 100 1.477 -3.944 14.338 1.00 0.00 C ATOM 1575 C ASP A 100 0.406 -4.622 13.492 1.00 0.00 C ATOM 1576 O ASP A 100 0.594 -4.834 12.291 1.00 0.00 O ATOM 1577 CB ASP A 100 1.150 -2.462 14.537 1.00 0.00 C ATOM 1578 CG ASP A 100 0.847 -1.732 13.250 1.00 0.00 C ATOM 1579 OD1 ASP A 100 -0.339 -1.709 12.843 1.00 0.00 O ATOM 1580 OD2 ASP A 100 1.782 -1.158 12.661 1.00 0.00 O ATOM 0 H ASP A 100 2.801 -3.888 12.724 1.00 0.00 H new ATOM 0 HA ASP A 100 1.500 -4.412 15.322 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.293 -2.374 15.205 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.991 -1.976 15.031 1.00 0.00 H new ATOM 1585 N PRO A 101 -0.716 -5.003 14.116 1.00 0.00 N ATOM 1586 CA PRO A 101 -1.793 -5.727 13.448 1.00 0.00 C ATOM 1587 C PRO A 101 -2.843 -4.819 12.802 1.00 0.00 C ATOM 1588 O PRO A 101 -3.787 -5.305 12.181 1.00 0.00 O ATOM 1589 CB PRO A 101 -2.409 -6.513 14.601 1.00 0.00 C ATOM 1590 CG PRO A 101 -2.244 -5.629 15.793 1.00 0.00 C ATOM 1591 CD PRO A 101 -1.012 -4.791 15.548 1.00 0.00 C ATOM 0 HA PRO A 101 -1.424 -6.329 12.618 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -3.460 -6.733 14.413 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -1.904 -7.468 14.743 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.121 -4.996 15.929 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.134 -6.221 16.701 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.195 -3.739 15.767 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -0.181 -5.108 16.179 1.00 0.00 H new ATOM 1599 N SER A 102 -2.694 -3.509 12.964 1.00 0.00 N ATOM 1600 CA SER A 102 -3.726 -2.575 12.531 1.00 0.00 C ATOM 1601 C SER A 102 -3.475 -2.064 11.111 1.00 0.00 C ATOM 1602 O SER A 102 -4.423 -1.843 10.347 1.00 0.00 O ATOM 1603 CB SER A 102 -3.818 -1.409 13.514 1.00 0.00 C ATOM 1604 OG SER A 102 -4.103 -1.879 14.823 1.00 0.00 O ATOM 0 H SER A 102 -1.876 -3.073 13.388 1.00 0.00 H new ATOM 0 HA SER A 102 -4.676 -3.109 12.517 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.880 -0.855 13.517 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.596 -0.717 13.193 1.00 0.00 H new ATOM 0 HG SER A 102 -4.157 -1.119 15.439 1.00 0.00 H new ATOM 1610 N LEU A 103 -2.210 -1.873 10.761 1.00 0.00 N ATOM 1611 CA LEU A 103 -1.852 -1.407 9.427 1.00 0.00 C ATOM 1612 C LEU A 103 -2.150 -2.466 8.374 1.00 0.00 C ATOM 1613 O LEU A 103 -2.177 -3.661 8.666 1.00 0.00 O ATOM 1614 CB LEU A 103 -0.375 -1.015 9.370 1.00 0.00 C ATOM 1615 CG LEU A 103 -0.006 0.254 10.140 1.00 0.00 C ATOM 1616 CD1 LEU A 103 1.474 0.563 9.974 1.00 0.00 C ATOM 1617 CD2 LEU A 103 -0.854 1.430 9.672 1.00 0.00 C ATOM 0 H LEU A 103 -1.416 -2.033 11.381 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.460 -0.528 9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.219 -1.842 9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.091 -0.882 8.326 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.208 0.087 11.198 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.721 1.469 10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.065 -0.269 10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.699 0.711 8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.577 2.324 10.231 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.685 1.600 8.609 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.908 1.209 9.841 1.00 0.00 H new ATOM 1629 N SER A 104 -2.380 -2.020 7.148 1.00 0.00 N ATOM 1630 CA SER A 104 -2.679 -2.930 6.060 1.00 0.00 C ATOM 1631 C SER A 104 -1.439 -3.152 5.199 1.00 0.00 C ATOM 1632 O SER A 104 -0.737 -2.201 4.838 1.00 0.00 O ATOM 1633 CB SER A 104 -3.835 -2.380 5.217 1.00 0.00 C ATOM 1634 OG SER A 104 -4.346 -3.367 4.336 1.00 0.00 O ATOM 0 H SER A 104 -2.365 -1.035 6.885 1.00 0.00 H new ATOM 0 HA SER A 104 -2.982 -3.891 6.476 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.631 -2.028 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.492 -1.520 4.643 1.00 0.00 H new ATOM 0 HG SER A 104 -5.083 -2.988 3.813 1.00 0.00 H new ATOM 1640 N TYR A 105 -1.160 -4.410 4.896 1.00 0.00 N ATOM 1641 CA TYR A 105 -0.008 -4.766 4.085 1.00 0.00 C ATOM 1642 C TYR A 105 -0.477 -5.283 2.727 1.00 0.00 C ATOM 1643 O TYR A 105 -0.966 -6.407 2.622 1.00 0.00 O ATOM 1644 CB TYR A 105 0.838 -5.832 4.801 1.00 0.00 C ATOM 1645 CG TYR A 105 1.229 -5.460 6.222 1.00 0.00 C ATOM 1646 CD1 TYR A 105 0.337 -5.634 7.276 1.00 0.00 C ATOM 1647 CD2 TYR A 105 2.483 -4.936 6.510 1.00 0.00 C ATOM 1648 CE1 TYR A 105 0.681 -5.294 8.571 1.00 0.00 C ATOM 1649 CE2 TYR A 105 2.836 -4.596 7.805 1.00 0.00 C ATOM 1650 CZ TYR A 105 1.930 -4.776 8.831 1.00 0.00 C ATOM 1651 OH TYR A 105 2.277 -4.441 10.121 1.00 0.00 O ATOM 0 H TYR A 105 -1.720 -5.206 5.202 1.00 0.00 H new ATOM 0 HA TYR A 105 0.610 -3.881 3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 105 0.281 -6.769 4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 105 1.743 -6.012 4.221 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -0.643 -6.043 7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 105 3.194 -4.791 5.710 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.026 -5.434 9.375 1.00 0.00 H new ATOM 0 HE2 TYR A 105 3.816 -4.192 8.012 1.00 0.00 H new ATOM 0 HH TYR A 105 1.539 -4.663 10.726 1.00 0.00 H new ATOM 1661 N LEU A 106 -0.358 -4.450 1.701 1.00 0.00 N ATOM 1662 CA LEU A 106 -0.826 -4.813 0.368 1.00 0.00 C ATOM 1663 C LEU A 106 0.280 -5.466 -0.453 1.00 0.00 C ATOM 1664 O LEU A 106 1.427 -5.011 -0.458 1.00 0.00 O ATOM 1665 CB LEU A 106 -1.373 -3.590 -0.387 1.00 0.00 C ATOM 1666 CG LEU A 106 -2.745 -3.073 0.070 1.00 0.00 C ATOM 1667 CD1 LEU A 106 -2.656 -2.408 1.433 1.00 0.00 C ATOM 1668 CD2 LEU A 106 -3.323 -2.109 -0.960 1.00 0.00 C ATOM 0 H LEU A 106 0.057 -3.521 1.765 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.633 -5.533 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.652 -2.778 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.436 -3.840 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.414 -3.929 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.643 -2.052 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.295 -3.129 2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.967 -1.565 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.295 -1.753 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.649 -1.261 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.439 -2.623 -1.914 1.00 0.00 H new ATOM 1680 N ILE A 107 -0.077 -6.537 -1.140 1.00 0.00 N ATOM 1681 CA ILE A 107 0.849 -7.250 -2.007 1.00 0.00 C ATOM 1682 C ILE A 107 0.344 -7.218 -3.444 1.00 0.00 C ATOM 1683 O ILE A 107 -0.765 -7.666 -3.730 1.00 0.00 O ATOM 1684 CB ILE A 107 1.030 -8.720 -1.565 1.00 0.00 C ATOM 1685 CG1 ILE A 107 1.467 -8.788 -0.101 1.00 0.00 C ATOM 1686 CG2 ILE A 107 2.045 -9.427 -2.455 1.00 0.00 C ATOM 1687 CD1 ILE A 107 1.613 -10.198 0.428 1.00 0.00 C ATOM 0 H ILE A 107 -1.015 -6.937 -1.114 1.00 0.00 H new ATOM 0 HA ILE A 107 1.815 -6.750 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 107 0.071 -9.228 -1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.419 -8.268 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.740 -8.254 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.158 -10.461 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.698 -9.410 -3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.006 -8.917 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.925 -10.164 1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.657 -10.716 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.362 -10.731 -0.158 1.00 0.00 H new ATOM 1699 N ILE A 108 1.151 -6.670 -4.340 1.00 0.00 N ATOM 1700 CA ILE A 108 0.790 -6.590 -5.744 1.00 0.00 C ATOM 1701 C ILE A 108 1.574 -7.624 -6.543 1.00 0.00 C ATOM 1702 O ILE A 108 2.802 -7.655 -6.495 1.00 0.00 O ATOM 1703 CB ILE A 108 1.068 -5.185 -6.316 1.00 0.00 C ATOM 1704 CG1 ILE A 108 0.358 -4.117 -5.479 1.00 0.00 C ATOM 1705 CG2 ILE A 108 0.620 -5.106 -7.769 1.00 0.00 C ATOM 1706 CD1 ILE A 108 0.667 -2.697 -5.906 1.00 0.00 C ATOM 0 H ILE A 108 2.064 -6.273 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.278 -6.791 -5.825 1.00 0.00 H new ATOM 0 HB ILE A 108 2.141 -5.000 -6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.718 -4.278 -5.540 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.641 -4.241 -4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.823 -4.108 -8.159 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.165 -5.843 -8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.449 -5.310 -7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.127 -1.999 -5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.738 -2.516 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.358 -2.553 -6.941 1.00 0.00 H new ATOM 1718 N SER A 109 0.871 -8.476 -7.264 1.00 0.00 N ATOM 1719 CA SER A 109 1.512 -9.519 -8.039 1.00 0.00 C ATOM 1720 C SER A 109 1.422 -9.228 -9.534 1.00 0.00 C ATOM 1721 O SER A 109 0.330 -9.063 -10.081 1.00 0.00 O ATOM 1722 CB SER A 109 0.857 -10.856 -7.718 1.00 0.00 C ATOM 1723 OG SER A 109 0.898 -11.099 -6.326 1.00 0.00 O ATOM 0 H SER A 109 -0.147 -8.466 -7.329 1.00 0.00 H new ATOM 0 HA SER A 109 2.568 -9.556 -7.773 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.177 -10.855 -8.064 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.370 -11.657 -8.250 1.00 0.00 H new ATOM 0 HG SER A 109 1.330 -11.962 -6.157 1.00 0.00 H new ATOM 1729 N LEU A 110 2.578 -9.170 -10.186 1.00 0.00 N ATOM 1730 CA LEU A 110 2.637 -8.930 -11.619 1.00 0.00 C ATOM 1731 C LEU A 110 2.725 -10.251 -12.377 1.00 0.00 C ATOM 1732 O LEU A 110 3.130 -10.286 -13.538 1.00 0.00 O ATOM 1733 CB LEU A 110 3.825 -8.021 -11.976 1.00 0.00 C ATOM 1734 CG LEU A 110 3.683 -6.545 -11.572 1.00 0.00 C ATOM 1735 CD1 LEU A 110 2.347 -5.984 -12.046 1.00 0.00 C ATOM 1736 CD2 LEU A 110 3.851 -6.360 -10.066 1.00 0.00 C ATOM 0 H LEU A 110 3.488 -9.287 -9.741 1.00 0.00 H new ATOM 0 HA LEU A 110 1.721 -8.420 -11.917 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.721 -8.423 -11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.984 -8.070 -13.053 1.00 0.00 H new ATOM 0 HG LEU A 110 4.481 -5.987 -12.061 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.266 -4.938 -11.750 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.285 -6.060 -13.132 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.533 -6.553 -11.596 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.745 -5.305 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.089 -6.936 -9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.840 -6.707 -9.765 1.00 0.00 H new ATOM 1748 N ALA A 111 2.321 -11.333 -11.712 1.00 0.00 N ATOM 1749 CA ALA A 111 2.293 -12.656 -12.329 1.00 0.00 C ATOM 1750 C ALA A 111 1.387 -12.652 -13.563 1.00 0.00 C ATOM 1751 O ALA A 111 1.609 -13.385 -14.528 1.00 0.00 O ATOM 1752 CB ALA A 111 1.814 -13.690 -11.320 1.00 0.00 C ATOM 0 H ALA A 111 2.008 -11.317 -10.741 1.00 0.00 H new ATOM 0 HA ALA A 111 3.302 -12.917 -12.647 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.796 -14.674 -11.788 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.492 -13.707 -10.466 1.00 0.00 H new ATOM 0 HB3 ALA A 111 0.811 -13.431 -10.982 1.00 0.00 H new ATOM 1758 N GLU A 112 0.370 -11.809 -13.515 1.00 0.00 N ATOM 1759 CA GLU A 112 -0.552 -11.630 -14.621 1.00 0.00 C ATOM 1760 C GLU A 112 -0.596 -10.154 -15.007 1.00 0.00 C ATOM 1761 O GLU A 112 -1.388 -9.391 -14.469 1.00 0.00 O ATOM 1762 CB GLU A 112 -1.946 -12.143 -14.244 1.00 0.00 C ATOM 1763 CG GLU A 112 -2.940 -12.102 -15.390 1.00 0.00 C ATOM 1764 CD GLU A 112 -2.420 -12.807 -16.621 1.00 0.00 C ATOM 1765 OE1 GLU A 112 -2.343 -14.056 -16.611 1.00 0.00 O ATOM 1766 OE2 GLU A 112 -2.069 -12.119 -17.600 1.00 0.00 O ATOM 0 H GLU A 112 0.160 -11.227 -12.704 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.208 -12.208 -15.479 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.861 -13.168 -13.884 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.332 -11.546 -13.418 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.875 -12.566 -15.075 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.166 -11.064 -15.636 1.00 0.00 H new ATOM 1773 N PRO A 113 0.307 -9.721 -15.902 1.00 0.00 N ATOM 1774 CA PRO A 113 0.453 -8.303 -16.267 1.00 0.00 C ATOM 1775 C PRO A 113 -0.792 -7.703 -16.912 1.00 0.00 C ATOM 1776 O PRO A 113 -0.960 -6.485 -16.938 1.00 0.00 O ATOM 1777 CB PRO A 113 1.628 -8.296 -17.255 1.00 0.00 C ATOM 1778 CG PRO A 113 2.328 -9.595 -17.043 1.00 0.00 C ATOM 1779 CD PRO A 113 1.270 -10.569 -16.619 1.00 0.00 C ATOM 0 HA PRO A 113 0.616 -7.690 -15.380 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.277 -8.201 -18.283 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.295 -7.455 -17.067 1.00 0.00 H new ATOM 0 HG2 PRO A 113 2.820 -9.927 -17.957 1.00 0.00 H new ATOM 0 HG3 PRO A 113 3.101 -9.502 -16.280 1.00 0.00 H new ATOM 0 HD2 PRO A 113 0.812 -11.065 -17.475 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.675 -11.351 -15.977 1.00 0.00 H new ATOM 1787 N GLN A 114 -1.659 -8.553 -17.426 1.00 0.00 N ATOM 1788 CA GLN A 114 -2.886 -8.087 -18.053 1.00 0.00 C ATOM 1789 C GLN A 114 -3.994 -7.945 -17.017 1.00 0.00 C ATOM 1790 O GLN A 114 -4.981 -7.239 -17.232 1.00 0.00 O ATOM 1791 CB GLN A 114 -3.320 -9.039 -19.164 1.00 0.00 C ATOM 1792 CG GLN A 114 -2.303 -9.159 -20.286 1.00 0.00 C ATOM 1793 CD GLN A 114 -1.900 -7.813 -20.857 1.00 0.00 C ATOM 1794 OE1 GLN A 114 -2.691 -6.868 -20.877 1.00 0.00 O ATOM 1795 NE2 GLN A 114 -0.666 -7.716 -21.315 1.00 0.00 N ATOM 0 H GLN A 114 -1.540 -9.566 -17.423 1.00 0.00 H new ATOM 0 HA GLN A 114 -2.693 -7.109 -18.493 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -3.498 -10.026 -18.738 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -4.268 -8.695 -19.578 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -1.416 -9.671 -19.914 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -2.718 -9.777 -21.082 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -0.044 -8.523 -21.279 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.335 -6.834 -21.705 1.00 0.00 H new ATOM 1804 N LYS A 115 -3.809 -8.615 -15.889 1.00 0.00 N ATOM 1805 CA LYS A 115 -4.753 -8.570 -14.784 1.00 0.00 C ATOM 1806 C LYS A 115 -3.990 -8.566 -13.465 1.00 0.00 C ATOM 1807 O LYS A 115 -3.929 -9.584 -12.775 1.00 0.00 O ATOM 1808 CB LYS A 115 -5.702 -9.773 -14.825 1.00 0.00 C ATOM 1809 CG LYS A 115 -6.716 -9.741 -15.959 1.00 0.00 C ATOM 1810 CD LYS A 115 -7.717 -8.608 -15.784 1.00 0.00 C ATOM 1811 CE LYS A 115 -8.802 -8.649 -16.849 1.00 0.00 C ATOM 1812 NZ LYS A 115 -9.540 -9.941 -16.842 1.00 0.00 N ATOM 0 H LYS A 115 -2.997 -9.207 -15.715 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.347 -7.660 -14.872 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.109 -10.684 -14.910 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.238 -9.829 -13.877 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.196 -9.624 -16.910 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.246 -10.692 -16.001 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.173 -8.674 -14.796 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.196 -7.651 -15.831 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.503 -7.830 -16.685 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.353 -8.493 -17.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -10.442 -9.829 -17.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.967 -10.670 -17.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.728 -10.228 -15.860 1.00 0.00 H new ATOM 1826 N PRO A 116 -3.368 -7.430 -13.116 1.00 0.00 N ATOM 1827 CA PRO A 116 -2.520 -7.332 -11.926 1.00 0.00 C ATOM 1828 C PRO A 116 -3.303 -7.566 -10.644 1.00 0.00 C ATOM 1829 O PRO A 116 -4.190 -6.785 -10.289 1.00 0.00 O ATOM 1830 CB PRO A 116 -1.976 -5.901 -11.975 1.00 0.00 C ATOM 1831 CG PRO A 116 -2.912 -5.154 -12.862 1.00 0.00 C ATOM 1832 CD PRO A 116 -3.451 -6.154 -13.844 1.00 0.00 C ATOM 0 HA PRO A 116 -1.736 -8.089 -11.925 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -1.941 -5.459 -10.979 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -0.960 -5.880 -12.369 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -3.719 -4.703 -12.284 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -2.396 -4.343 -13.376 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.477 -5.922 -14.131 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -2.861 -6.175 -14.760 1.00 0.00 H new ATOM 1840 N VAL A 117 -2.985 -8.647 -9.956 1.00 0.00 N ATOM 1841 CA VAL A 117 -3.700 -8.990 -8.743 1.00 0.00 C ATOM 1842 C VAL A 117 -3.007 -8.386 -7.534 1.00 0.00 C ATOM 1843 O VAL A 117 -1.839 -8.666 -7.266 1.00 0.00 O ATOM 1844 CB VAL A 117 -3.801 -10.521 -8.560 1.00 0.00 C ATOM 1845 CG1 VAL A 117 -4.586 -10.865 -7.302 1.00 0.00 C ATOM 1846 CG2 VAL A 117 -4.432 -11.166 -9.786 1.00 0.00 C ATOM 0 H VAL A 117 -2.243 -9.297 -10.214 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.708 -8.584 -8.831 1.00 0.00 H new ATOM 0 HB VAL A 117 -2.793 -10.919 -8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -4.644 -11.948 -7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.084 -10.440 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.593 -10.454 -7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -4.495 -12.244 -9.638 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.433 -10.761 -9.935 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -3.821 -10.955 -10.663 1.00 0.00 H new ATOM 1856 N CYS A 118 -3.729 -7.542 -6.828 1.00 0.00 N ATOM 1857 CA CYS A 118 -3.264 -6.998 -5.569 1.00 0.00 C ATOM 1858 C CYS A 118 -4.198 -7.426 -4.449 1.00 0.00 C ATOM 1859 O CYS A 118 -5.415 -7.459 -4.635 1.00 0.00 O ATOM 1860 CB CYS A 118 -3.170 -5.475 -5.650 1.00 0.00 C ATOM 1861 SG CYS A 118 -4.608 -4.687 -6.407 1.00 0.00 S ATOM 0 H CYS A 118 -4.653 -7.214 -7.109 1.00 0.00 H new ATOM 0 HA CYS A 118 -2.267 -7.385 -5.358 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -3.038 -5.076 -4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -2.280 -5.206 -6.219 1.00 0.00 H new ATOM 0 HG CYS A 118 -4.213 -3.831 -7.302 1.00 0.00 H new ATOM 1867 N LYS A 119 -3.643 -7.781 -3.304 1.00 0.00 N ATOM 1868 CA LYS A 119 -4.457 -8.074 -2.134 1.00 0.00 C ATOM 1869 C LYS A 119 -3.879 -7.394 -0.912 1.00 0.00 C ATOM 1870 O LYS A 119 -2.722 -6.980 -0.907 1.00 0.00 O ATOM 1871 CB LYS A 119 -4.573 -9.581 -1.871 1.00 0.00 C ATOM 1872 CG LYS A 119 -5.357 -10.335 -2.932 1.00 0.00 C ATOM 1873 CD LYS A 119 -5.654 -11.764 -2.505 1.00 0.00 C ATOM 1874 CE LYS A 119 -6.628 -12.440 -3.461 1.00 0.00 C ATOM 1875 NZ LYS A 119 -7.922 -11.707 -3.551 1.00 0.00 N ATOM 0 H LYS A 119 -2.638 -7.874 -3.158 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.457 -7.691 -2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.571 -10.006 -1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.050 -9.735 -0.903 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.293 -9.813 -3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.792 -10.344 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.726 -12.334 -2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.071 -11.765 -1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.178 -12.504 -4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.812 -13.461 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.649 -12.334 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.214 -11.401 -2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.807 -10.874 -4.163 1.00 0.00 H new ATOM 1889 N SER A 120 -4.690 -7.293 0.115 1.00 0.00 N ATOM 1890 CA SER A 120 -4.284 -6.667 1.358 1.00 0.00 C ATOM 1891 C SER A 120 -4.373 -7.668 2.492 1.00 0.00 C ATOM 1892 O SER A 120 -5.355 -8.399 2.603 1.00 0.00 O ATOM 1893 CB SER A 120 -5.167 -5.453 1.640 1.00 0.00 C ATOM 1894 OG SER A 120 -6.498 -5.685 1.214 1.00 0.00 O ATOM 0 H SER A 120 -5.649 -7.641 0.116 1.00 0.00 H new ATOM 0 HA SER A 120 -3.250 -6.331 1.273 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.156 -5.231 2.707 1.00 0.00 H new ATOM 0 HB3 SER A 120 -4.764 -4.579 1.128 1.00 0.00 H new ATOM 0 HG SER A 120 -6.709 -6.638 1.304 1.00 0.00 H new ATOM 1900 N PHE A 121 -3.345 -7.727 3.315 1.00 0.00 N ATOM 1901 CA PHE A 121 -3.326 -8.664 4.419 1.00 0.00 C ATOM 1902 C PHE A 121 -3.046 -7.958 5.731 1.00 0.00 C ATOM 1903 O PHE A 121 -2.144 -7.128 5.826 1.00 0.00 O ATOM 1904 CB PHE A 121 -2.283 -9.755 4.178 1.00 0.00 C ATOM 1905 CG PHE A 121 -2.580 -10.606 2.978 1.00 0.00 C ATOM 1906 CD1 PHE A 121 -3.420 -11.703 3.085 1.00 0.00 C ATOM 1907 CD2 PHE A 121 -2.025 -10.309 1.744 1.00 0.00 C ATOM 1908 CE1 PHE A 121 -3.701 -12.487 1.984 1.00 0.00 C ATOM 1909 CE2 PHE A 121 -2.303 -11.090 0.639 1.00 0.00 C ATOM 1910 CZ PHE A 121 -3.141 -12.181 0.760 1.00 0.00 C ATOM 0 H PHE A 121 -2.515 -7.139 3.240 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.312 -9.125 4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -1.305 -9.291 4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.223 -10.392 5.061 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -3.860 -11.947 4.041 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -1.368 -9.458 1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.358 -13.339 2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -1.866 -10.848 -0.318 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.358 -12.794 -0.102 1.00 0.00 H new ATOM 1920 N LEU A 122 -3.848 -8.271 6.730 1.00 0.00 N ATOM 1921 CA LEU A 122 -3.600 -7.803 8.077 1.00 0.00 C ATOM 1922 C LEU A 122 -2.894 -8.910 8.838 1.00 0.00 C ATOM 1923 O LEU A 122 -3.507 -9.918 9.193 1.00 0.00 O ATOM 1924 CB LEU A 122 -4.915 -7.442 8.775 1.00 0.00 C ATOM 1925 CG LEU A 122 -5.812 -6.462 8.014 1.00 0.00 C ATOM 1926 CD1 LEU A 122 -7.100 -6.220 8.785 1.00 0.00 C ATOM 1927 CD2 LEU A 122 -5.082 -5.154 7.758 1.00 0.00 C ATOM 0 H LEU A 122 -4.681 -8.851 6.632 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.981 -6.907 8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -5.476 -8.359 8.953 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.684 -7.015 9.751 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.065 -6.901 7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.729 -5.521 8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.631 -7.164 8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.865 -5.801 9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.737 -4.472 7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.797 -4.704 8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.188 -5.346 7.165 1.00 0.00 H new ATOM 1939 N ILE A 123 -1.613 -8.736 9.074 1.00 0.00 N ATOM 1940 CA ILE A 123 -0.824 -9.786 9.686 1.00 0.00 C ATOM 1941 C ILE A 123 -0.737 -9.580 11.188 1.00 0.00 C ATOM 1942 O ILE A 123 -0.083 -8.655 11.667 1.00 0.00 O ATOM 1943 CB ILE A 123 0.589 -9.864 9.081 1.00 0.00 C ATOM 1944 CG1 ILE A 123 0.502 -9.924 7.552 1.00 0.00 C ATOM 1945 CG2 ILE A 123 1.318 -11.086 9.623 1.00 0.00 C ATOM 1946 CD1 ILE A 123 1.846 -9.914 6.859 1.00 0.00 C ATOM 0 H ILE A 123 -1.096 -7.884 8.854 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.327 -10.731 9.483 1.00 0.00 H new ATOM 0 HB ILE A 123 1.149 -8.972 9.361 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.037 -10.827 7.264 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.084 -9.076 7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.317 -11.135 9.191 1.00 0.00 H new ATOM 0 HG22 ILE A 123 1.395 -11.012 10.708 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.764 -11.987 9.359 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.699 -9.959 5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.381 -8.999 7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.428 -10.777 7.182 1.00 0.00 H new ATOM 1958 N LYS A 124 -1.417 -10.439 11.927 1.00 0.00 N ATOM 1959 CA LYS A 124 -1.463 -10.327 13.367 1.00 0.00 C ATOM 1960 C LYS A 124 -0.641 -11.431 14.014 1.00 0.00 C ATOM 1961 O LYS A 124 -0.044 -12.269 13.326 1.00 0.00 O ATOM 1962 CB LYS A 124 -2.915 -10.386 13.847 1.00 0.00 C ATOM 1963 CG LYS A 124 -3.798 -9.320 13.217 1.00 0.00 C ATOM 1964 CD LYS A 124 -5.235 -9.404 13.707 1.00 0.00 C ATOM 1965 CE LYS A 124 -6.070 -8.257 13.160 1.00 0.00 C ATOM 1966 NZ LYS A 124 -7.470 -8.298 13.658 1.00 0.00 N ATOM 0 H LYS A 124 -1.946 -11.224 11.547 1.00 0.00 H new ATOM 0 HA LYS A 124 -1.034 -9.369 13.660 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -3.326 -11.370 13.620 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -2.937 -10.273 14.931 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -3.394 -8.334 13.446 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -3.778 -9.428 12.133 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -5.672 -10.354 13.400 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -5.252 -9.383 14.797 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -5.613 -7.309 13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.072 -8.298 12.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -8.003 -7.499 13.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -7.916 -9.191 13.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -7.471 -8.233 14.696 1.00 0.00 H new ATOM 1980 N LYS A 125 -0.613 -11.410 15.334 1.00 0.00 N ATOM 1981 CA LYS A 125 0.107 -12.389 16.129 1.00 0.00 C ATOM 1982 C LYS A 125 -0.472 -13.779 15.921 1.00 0.00 C ATOM 1983 O LYS A 125 0.220 -14.704 15.488 1.00 0.00 O ATOM 1984 CB LYS A 125 -0.006 -11.986 17.599 1.00 0.00 C ATOM 1985 CG LYS A 125 0.654 -12.932 18.583 1.00 0.00 C ATOM 1986 CD LYS A 125 0.475 -12.420 20.001 1.00 0.00 C ATOM 1987 CE LYS A 125 0.819 -13.473 21.034 1.00 0.00 C ATOM 1988 NZ LYS A 125 0.577 -12.981 22.413 1.00 0.00 N ATOM 0 H LYS A 125 -1.095 -10.705 15.891 1.00 0.00 H new ATOM 0 HA LYS A 125 1.153 -12.415 15.824 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.433 -10.996 17.722 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.062 -11.900 17.855 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.219 -13.927 18.490 1.00 0.00 H new ATOM 0 HG3 LYS A 125 1.715 -13.025 18.353 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.106 -11.544 20.152 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -0.557 -12.098 20.142 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.222 -14.368 20.856 1.00 0.00 H new ATOM 0 HE3 LYS A 125 1.865 -13.761 20.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 0.823 -13.726 23.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.165 -12.142 22.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.426 -12.730 22.521 1.00 0.00 H new ATOM 2002 N ASP A 126 -1.751 -13.900 16.229 1.00 0.00 N ATOM 2003 CA ASP A 126 -2.466 -15.171 16.116 1.00 0.00 C ATOM 2004 C ASP A 126 -2.495 -15.675 14.681 1.00 0.00 C ATOM 2005 O ASP A 126 -2.302 -16.866 14.427 1.00 0.00 O ATOM 2006 CB ASP A 126 -3.900 -15.035 16.635 1.00 0.00 C ATOM 2007 CG ASP A 126 -3.962 -14.862 18.137 1.00 0.00 C ATOM 2008 OD1 ASP A 126 -3.861 -13.713 18.615 1.00 0.00 O ATOM 2009 OD2 ASP A 126 -4.114 -15.877 18.850 1.00 0.00 O ATOM 0 H ASP A 126 -2.326 -13.127 16.564 1.00 0.00 H new ATOM 0 HA ASP A 126 -1.926 -15.896 16.726 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -4.377 -14.180 16.155 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -4.470 -15.919 16.351 1.00 0.00 H new ATOM 2014 N GLY A 127 -2.741 -14.774 13.743 1.00 0.00 N ATOM 2015 CA GLY A 127 -2.802 -15.160 12.352 1.00 0.00 C ATOM 2016 C GLY A 127 -2.984 -13.977 11.430 1.00 0.00 C ATOM 2017 O GLY A 127 -3.143 -12.845 11.887 1.00 0.00 O ATOM 0 H GLY A 127 -2.899 -13.782 13.921 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -1.886 -15.687 12.084 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -3.626 -15.859 12.208 1.00 0.00 H new ATOM 2021 N VAL A 128 -2.969 -14.243 10.135 1.00 0.00 N ATOM 2022 CA VAL A 128 -3.135 -13.203 9.136 1.00 0.00 C ATOM 2023 C VAL A 128 -4.577 -13.177 8.635 1.00 0.00 C ATOM 2024 O VAL A 128 -5.205 -14.224 8.465 1.00 0.00 O ATOM 2025 CB VAL A 128 -2.157 -13.404 7.948 1.00 0.00 C ATOM 2026 CG1 VAL A 128 -2.367 -14.760 7.287 1.00 0.00 C ATOM 2027 CG2 VAL A 128 -2.298 -12.280 6.930 1.00 0.00 C ATOM 0 H VAL A 128 -2.842 -15.179 9.749 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.904 -12.246 9.604 1.00 0.00 H new ATOM 0 HB VAL A 128 -1.142 -13.377 8.345 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.668 -14.873 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.195 -15.551 8.017 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -3.388 -14.828 6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.602 -12.444 6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.317 -12.264 6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -2.076 -11.326 7.408 1.00 0.00 H new ATOM 2037 N ASP A 129 -5.109 -11.983 8.439 1.00 0.00 N ATOM 2038 CA ASP A 129 -6.464 -11.821 7.939 1.00 0.00 C ATOM 2039 C ASP A 129 -6.437 -11.160 6.567 1.00 0.00 C ATOM 2040 O ASP A 129 -5.756 -10.154 6.369 1.00 0.00 O ATOM 2041 CB ASP A 129 -7.297 -10.986 8.914 1.00 0.00 C ATOM 2042 CG ASP A 129 -8.753 -10.922 8.516 1.00 0.00 C ATOM 2043 OD1 ASP A 129 -9.403 -11.988 8.469 1.00 0.00 O ATOM 2044 OD2 ASP A 129 -9.262 -9.814 8.250 1.00 0.00 O ATOM 0 H ASP A 129 -4.620 -11.106 8.620 1.00 0.00 H new ATOM 0 HA ASP A 129 -6.924 -12.805 7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -7.215 -11.411 9.915 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.891 -9.976 8.962 1.00 0.00 H new ATOM 2049 N GLU A 130 -7.155 -11.740 5.620 1.00 0.00 N ATOM 2050 CA GLU A 130 -7.168 -11.228 4.259 1.00 0.00 C ATOM 2051 C GLU A 130 -8.203 -10.116 4.119 1.00 0.00 C ATOM 2052 O GLU A 130 -9.377 -10.301 4.447 1.00 0.00 O ATOM 2053 CB GLU A 130 -7.459 -12.358 3.269 1.00 0.00 C ATOM 2054 CG GLU A 130 -7.249 -11.968 1.812 1.00 0.00 C ATOM 2055 CD GLU A 130 -7.495 -13.121 0.861 1.00 0.00 C ATOM 2056 OE1 GLU A 130 -6.705 -14.085 0.871 1.00 0.00 O ATOM 2057 OE2 GLU A 130 -8.483 -13.070 0.098 1.00 0.00 O ATOM 0 H GLU A 130 -7.736 -12.565 5.768 1.00 0.00 H new ATOM 0 HA GLU A 130 -6.185 -10.814 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.818 -13.208 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -8.489 -12.689 3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.917 -11.145 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -6.230 -11.604 1.680 1.00 0.00 H new ATOM 2064 N GLU A 131 -7.755 -8.967 3.643 1.00 0.00 N ATOM 2065 CA GLU A 131 -8.625 -7.821 3.444 1.00 0.00 C ATOM 2066 C GLU A 131 -9.045 -7.754 1.980 1.00 0.00 C ATOM 2067 O GLU A 131 -8.225 -7.974 1.083 1.00 0.00 O ATOM 2068 CB GLU A 131 -7.896 -6.531 3.843 1.00 0.00 C ATOM 2069 CG GLU A 131 -8.796 -5.309 3.903 1.00 0.00 C ATOM 2070 CD GLU A 131 -9.934 -5.478 4.886 1.00 0.00 C ATOM 2071 OE1 GLU A 131 -9.729 -5.235 6.091 1.00 0.00 O ATOM 2072 OE2 GLU A 131 -11.039 -5.860 4.453 1.00 0.00 O ATOM 0 H GLU A 131 -6.782 -8.803 3.385 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.511 -7.927 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -7.430 -6.675 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -7.093 -6.344 3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.203 -4.438 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.203 -5.112 2.911 1.00 0.00 H new ATOM 2079 N GLU A 132 -10.315 -7.464 1.743 1.00 0.00 N ATOM 2080 CA GLU A 132 -10.835 -7.369 0.394 1.00 0.00 C ATOM 2081 C GLU A 132 -10.711 -5.942 -0.127 1.00 0.00 C ATOM 2082 O GLU A 132 -10.861 -4.974 0.627 1.00 0.00 O ATOM 2083 CB GLU A 132 -12.290 -7.840 0.360 1.00 0.00 C ATOM 2084 CG GLU A 132 -13.195 -7.125 1.348 1.00 0.00 C ATOM 2085 CD GLU A 132 -14.553 -7.790 1.474 1.00 0.00 C ATOM 2086 OE1 GLU A 132 -14.695 -8.709 2.311 1.00 0.00 O ATOM 2087 OE2 GLU A 132 -15.484 -7.408 0.734 1.00 0.00 O ATOM 0 H GLU A 132 -11.005 -7.290 2.474 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.248 -8.016 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.684 -7.697 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.319 -8.910 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -12.713 -7.100 2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.328 -6.090 1.032 1.00 0.00 H new ATOM 2094 N ILE A 133 -10.432 -5.820 -1.417 1.00 0.00 N ATOM 2095 CA ILE A 133 -10.191 -4.525 -2.034 1.00 0.00 C ATOM 2096 C ILE A 133 -11.350 -4.136 -2.940 1.00 0.00 C ATOM 2097 O ILE A 133 -11.805 -4.932 -3.765 1.00 0.00 O ATOM 2098 CB ILE A 133 -8.879 -4.521 -2.849 1.00 0.00 C ATOM 2099 CG1 ILE A 133 -7.704 -4.938 -1.957 1.00 0.00 C ATOM 2100 CG2 ILE A 133 -8.628 -3.146 -3.458 1.00 0.00 C ATOM 2101 CD1 ILE A 133 -6.368 -4.964 -2.669 1.00 0.00 C ATOM 0 H ILE A 133 -10.367 -6.609 -2.060 1.00 0.00 H new ATOM 0 HA ILE A 133 -10.101 -3.796 -1.228 1.00 0.00 H new ATOM 0 HB ILE A 133 -8.973 -5.240 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -7.641 -4.251 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -7.905 -5.928 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -7.699 -3.165 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -9.454 -2.885 -4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -8.551 -2.404 -2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -5.589 -5.268 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -6.410 -5.673 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -6.142 -3.970 -3.054 1.00 0.00 H new ATOM 2113 N ILE A 134 -11.825 -2.912 -2.774 1.00 0.00 N ATOM 2114 CA ILE A 134 -12.936 -2.404 -3.559 1.00 0.00 C ATOM 2115 C ILE A 134 -12.459 -1.294 -4.487 1.00 0.00 C ATOM 2116 O ILE A 134 -11.748 -0.383 -4.056 1.00 0.00 O ATOM 2117 CB ILE A 134 -14.055 -1.849 -2.652 1.00 0.00 C ATOM 2118 CG1 ILE A 134 -14.397 -2.843 -1.537 1.00 0.00 C ATOM 2119 CG2 ILE A 134 -15.296 -1.516 -3.469 1.00 0.00 C ATOM 2120 CD1 ILE A 134 -14.900 -4.190 -2.027 1.00 0.00 C ATOM 0 H ILE A 134 -11.453 -2.247 -2.096 1.00 0.00 H new ATOM 0 HA ILE A 134 -13.333 -3.234 -4.143 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.691 -0.931 -2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -13.510 -3.002 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -15.155 -2.399 -0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -16.072 -1.127 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -15.047 -0.766 -4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -15.659 -2.417 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -15.118 -4.830 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -15.807 -4.048 -2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -14.137 -4.660 -2.647 1.00 0.00 H new ATOM 2132 N LEU A 135 -12.831 -1.379 -5.756 1.00 0.00 N ATOM 2133 CA LEU A 135 -12.510 -0.334 -6.716 1.00 0.00 C ATOM 2134 C LEU A 135 -13.644 0.680 -6.800 1.00 0.00 C ATOM 2135 O LEU A 135 -14.806 0.314 -6.991 1.00 0.00 O ATOM 2136 CB LEU A 135 -12.240 -0.929 -8.101 1.00 0.00 C ATOM 2137 CG LEU A 135 -11.031 -1.864 -8.187 1.00 0.00 C ATOM 2138 CD1 LEU A 135 -10.803 -2.310 -9.621 1.00 0.00 C ATOM 2139 CD2 LEU A 135 -9.787 -1.184 -7.643 1.00 0.00 C ATOM 0 H LEU A 135 -13.356 -2.162 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 135 -11.607 0.171 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -13.126 -1.477 -8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -12.097 -0.112 -8.808 1.00 0.00 H new ATOM 0 HG LEU A 135 -11.238 -2.744 -7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.940 -2.974 -9.663 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -11.685 -2.839 -9.982 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -10.621 -1.438 -10.249 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.939 -1.866 -7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -9.580 -0.286 -8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -9.948 -0.912 -6.600 1.00 0.00 H new ATOM 2151 N LYS A 136 -13.301 1.950 -6.648 1.00 0.00 N ATOM 2152 CA LYS A 136 -14.280 3.024 -6.722 1.00 0.00 C ATOM 2153 C LYS A 136 -13.920 4.020 -7.816 1.00 0.00 C ATOM 2154 O LYS A 136 -12.793 4.034 -8.311 1.00 0.00 O ATOM 2155 CB LYS A 136 -14.384 3.753 -5.383 1.00 0.00 C ATOM 2156 CG LYS A 136 -15.559 3.301 -4.529 1.00 0.00 C ATOM 2157 CD LYS A 136 -15.653 4.113 -3.247 1.00 0.00 C ATOM 2158 CE LYS A 136 -16.854 3.710 -2.406 1.00 0.00 C ATOM 2159 NZ LYS A 136 -18.146 4.028 -3.071 1.00 0.00 N ATOM 0 H LYS A 136 -12.346 2.263 -6.472 1.00 0.00 H new ATOM 0 HA LYS A 136 -15.243 2.574 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -13.461 3.601 -4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -14.472 4.824 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -16.484 3.403 -5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -15.450 2.244 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -14.741 3.979 -2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -15.721 5.173 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -16.808 2.640 -2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -16.808 4.221 -1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -18.820 4.389 -2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -17.991 4.750 -3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -18.532 3.168 -3.510 1.00 0.00 H new ATOM 2173 N GLU A 137 -14.887 4.847 -8.185 1.00 0.00 N ATOM 2174 CA GLU A 137 -14.673 5.885 -9.183 1.00 0.00 C ATOM 2175 C GLU A 137 -14.608 7.248 -8.515 1.00 0.00 C ATOM 2176 O GLU A 137 -14.227 8.247 -9.130 1.00 0.00 O ATOM 2177 CB GLU A 137 -15.803 5.864 -10.208 1.00 0.00 C ATOM 2178 CG GLU A 137 -15.319 5.764 -11.642 1.00 0.00 C ATOM 2179 CD GLU A 137 -14.457 4.541 -11.877 1.00 0.00 C ATOM 2180 OE1 GLU A 137 -15.016 3.435 -12.028 1.00 0.00 O ATOM 2181 OE2 GLU A 137 -13.216 4.678 -11.924 1.00 0.00 O ATOM 0 H GLU A 137 -15.833 4.819 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 137 -13.727 5.694 -9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -16.460 5.021 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -16.400 6.769 -10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -16.179 5.733 -12.311 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -14.751 6.659 -11.894 1.00 0.00 H new ATOM 2188 N GLU A 138 -14.984 7.270 -7.247 1.00 0.00 N ATOM 2189 CA GLU A 138 -15.014 8.499 -6.467 1.00 0.00 C ATOM 2190 C GLU A 138 -13.728 8.647 -5.663 1.00 0.00 C ATOM 2191 O GLU A 138 -13.145 7.658 -5.219 1.00 0.00 O ATOM 2192 CB GLU A 138 -16.224 8.501 -5.530 1.00 0.00 C ATOM 2193 CG GLU A 138 -16.236 7.333 -4.558 1.00 0.00 C ATOM 2194 CD GLU A 138 -17.541 7.195 -3.808 1.00 0.00 C ATOM 2195 OE1 GLU A 138 -17.718 7.873 -2.778 1.00 0.00 O ATOM 2196 OE2 GLU A 138 -18.385 6.377 -4.237 1.00 0.00 O ATOM 0 H GLU A 138 -15.276 6.441 -6.730 1.00 0.00 H new ATOM 0 HA GLU A 138 -15.098 9.343 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -16.236 9.434 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -17.136 8.477 -6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -16.040 6.411 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -15.424 7.457 -3.841 1.00 0.00 H new ATOM 2203 N LEU A 139 -13.297 9.883 -5.481 1.00 0.00 N ATOM 2204 CA LEU A 139 -12.075 10.173 -4.748 1.00 0.00 C ATOM 2205 C LEU A 139 -12.396 10.738 -3.373 1.00 0.00 C ATOM 2206 O LEU A 139 -13.557 10.791 -2.967 1.00 0.00 O ATOM 2207 CB LEU A 139 -11.216 11.175 -5.527 1.00 0.00 C ATOM 2208 CG LEU A 139 -10.579 10.637 -6.807 1.00 0.00 C ATOM 2209 CD1 LEU A 139 -9.853 11.751 -7.542 1.00 0.00 C ATOM 2210 CD2 LEU A 139 -9.619 9.502 -6.488 1.00 0.00 C ATOM 0 H LEU A 139 -13.780 10.709 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 139 -11.522 9.242 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -11.834 12.036 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -10.424 11.536 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 139 -11.369 10.250 -7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -9.404 11.354 -8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.561 12.538 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -9.072 12.161 -6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -9.175 9.131 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -8.832 9.866 -5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -10.161 8.694 -5.996 1.00 0.00 H new