USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 839 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 Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= 0.226 (180deg=-0.194) USER MOD Single : A 9 GLN : amide:sc= -1.03 X(o=-1,f=-0.85) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 11 SER OG : rot -40:sc= 0.613 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 150:sc= -0.542 USER MOD Single : A 21 SER OG : rot -65:sc= 0.796 USER MOD Single : A 24 SER OG : rot -160:sc= -0.862 USER MOD Single : A 26 ASN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc=-0.00815 X(o=-0.0082,f=-0.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.446 K(o=-0.45,f=-0.99) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -46:sc= 0.803 USER MOD Single : A 60 GLN : amide:sc= -0.404 K(o=-0.4,f=-1.8!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 112:sc= 1.15 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 126:sc= 0.585 USER MOD Single : A 74 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-1.9) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= -0.322 (180deg=-1.16) USER MOD Single : A 91 THR OG1 : rot -95:sc= 0.159 USER MOD Single : A 93 GLN : amide:sc= -0.0017 X(o=-0.0017,f=-0.17) USER MOD Single : A 94 HIS : no HD1:sc= -0.961 X(o=-0.96,f=-1) USER MOD Single : A 95 SER OG : rot -53:sc= 0.923 USER MOD Single : A 96 SER OG : rot 100:sc= -1.71 USER MOD Single : A 101 LYS NZ :NH3+ 178:sc= -1.45! (180deg=-1.57!) USER MOD Single : A 104 HIS : no HD1:sc= -0.723 K(o=-0.72,f=-1.7!) USER MOD Single : A 106 ASN :FLIP amide:sc= -5.3! C(o=-8.3!,f=-5.3!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -33.013 -6.209 -12.272 1.00 0.00 N ATOM 2 CA GLU A 1 -34.016 -5.130 -12.045 1.00 0.00 C ATOM 3 C GLU A 1 -33.325 -3.775 -12.148 1.00 0.00 C ATOM 4 O GLU A 1 -33.537 -3.024 -13.100 1.00 0.00 O ATOM 5 CB GLU A 1 -34.666 -5.253 -10.665 1.00 0.00 C ATOM 6 CG GLU A 1 -35.917 -6.128 -10.764 1.00 0.00 C ATOM 7 CD GLU A 1 -36.520 -6.315 -9.377 1.00 0.00 C ATOM 8 OE1 GLU A 1 -35.987 -7.112 -8.623 1.00 0.00 O ATOM 9 OE2 GLU A 1 -37.507 -5.658 -9.087 1.00 0.00 O ATOM 0 H1 GLU A 1 -33.479 -7.136 -12.203 1.00 0.00 H new ATOM 0 H2 GLU A 1 -32.595 -6.101 -13.218 1.00 0.00 H new ATOM 0 H3 GLU A 1 -32.264 -6.144 -11.553 1.00 0.00 H new ATOM 0 HA GLU A 1 -34.795 -5.224 -12.802 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -33.961 -5.688 -9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -34.930 -4.265 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -36.646 -5.665 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -35.663 -7.096 -11.195 1.00 0.00 H new ATOM 18 N THR A 2 -32.494 -3.471 -11.155 1.00 0.00 N ATOM 19 CA THR A 2 -31.772 -2.203 -11.139 1.00 0.00 C ATOM 20 C THR A 2 -30.265 -2.445 -11.027 1.00 0.00 C ATOM 21 O THR A 2 -29.724 -2.524 -9.923 1.00 0.00 O ATOM 22 CB THR A 2 -32.227 -1.341 -9.959 1.00 0.00 C ATOM 23 OG1 THR A 2 -33.634 -1.463 -9.801 1.00 0.00 O ATOM 24 CG2 THR A 2 -31.866 0.121 -10.223 1.00 0.00 C ATOM 0 H THR A 2 -32.305 -4.079 -10.358 1.00 0.00 H new ATOM 0 HA THR A 2 -31.988 -1.683 -12.073 1.00 0.00 H new ATOM 0 HB THR A 2 -31.728 -1.677 -9.050 1.00 0.00 H new ATOM 0 HG1 THR A 2 -33.927 -0.913 -9.045 1.00 0.00 H new ATOM 0 HG21 THR A 2 -32.191 0.734 -9.382 1.00 0.00 H new ATOM 0 HG22 THR A 2 -30.787 0.213 -10.344 1.00 0.00 H new ATOM 0 HG23 THR A 2 -32.363 0.460 -11.132 1.00 0.00 H new ATOM 32 N PRO A 3 -29.568 -2.562 -12.165 1.00 0.00 N ATOM 33 CA PRO A 3 -28.116 -2.795 -12.176 1.00 0.00 C ATOM 34 C PRO A 3 -27.328 -1.555 -11.759 1.00 0.00 C ATOM 35 O PRO A 3 -27.366 -0.524 -12.430 1.00 0.00 O ATOM 36 CB PRO A 3 -27.811 -3.158 -13.627 1.00 0.00 C ATOM 37 CG PRO A 3 -28.904 -2.529 -14.422 1.00 0.00 C ATOM 38 CD PRO A 3 -30.115 -2.482 -13.533 1.00 0.00 C ATOM 0 HA PRO A 3 -27.828 -3.571 -11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -26.835 -2.780 -13.931 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -27.793 -4.239 -13.768 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -28.621 -1.527 -14.743 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -29.108 -3.107 -15.323 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -30.682 -1.563 -13.681 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -30.792 -3.311 -13.739 1.00 0.00 H new ATOM 46 N ARG A 4 -26.614 -1.669 -10.643 1.00 0.00 N ATOM 47 CA ARG A 4 -25.819 -0.551 -10.142 1.00 0.00 C ATOM 48 C ARG A 4 -24.340 -0.769 -10.450 1.00 0.00 C ATOM 49 O ARG A 4 -23.465 -0.376 -9.679 1.00 0.00 O ATOM 50 CB ARG A 4 -25.998 -0.400 -8.630 1.00 0.00 C ATOM 51 CG ARG A 4 -25.737 1.053 -8.227 1.00 0.00 C ATOM 52 CD ARG A 4 -26.357 1.322 -6.855 1.00 0.00 C ATOM 53 NE ARG A 4 -26.542 2.756 -6.646 1.00 0.00 N ATOM 54 CZ ARG A 4 -27.737 3.258 -6.351 1.00 0.00 C ATOM 55 NH1 ARG A 4 -28.527 2.621 -5.529 1.00 0.00 N ATOM 56 NH2 ARG A 4 -28.121 4.386 -6.881 1.00 0.00 N ATOM 0 H ARG A 4 -26.569 -2.514 -10.073 1.00 0.00 H new ATOM 0 HA ARG A 4 -26.164 0.356 -10.639 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -27.008 -0.693 -8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -25.311 -1.063 -8.104 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -24.665 1.246 -8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -26.162 1.729 -8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -27.317 0.811 -6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -25.715 0.915 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 4 -25.741 3.382 -6.728 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -28.227 1.739 -5.114 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -29.444 3.006 -5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -27.504 4.884 -7.523 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -29.038 4.770 -6.654 1.00 0.00 H new ATOM 70 N GLU A 5 -24.073 -1.403 -11.589 1.00 0.00 N ATOM 71 CA GLU A 5 -22.697 -1.670 -11.995 1.00 0.00 C ATOM 72 C GLU A 5 -22.527 -1.429 -13.492 1.00 0.00 C ATOM 73 O GLU A 5 -22.615 -2.354 -14.299 1.00 0.00 O ATOM 74 CB GLU A 5 -22.315 -3.117 -11.678 1.00 0.00 C ATOM 75 CG GLU A 5 -22.066 -3.262 -10.175 1.00 0.00 C ATOM 76 CD GLU A 5 -20.617 -2.907 -9.862 1.00 0.00 C ATOM 77 OE1 GLU A 5 -19.738 -3.578 -10.380 1.00 0.00 O ATOM 78 OE2 GLU A 5 -20.406 -1.971 -9.109 1.00 0.00 O ATOM 0 H GLU A 5 -24.783 -1.738 -12.240 1.00 0.00 H new ATOM 0 HA GLU A 5 -22.046 -0.994 -11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -23.111 -3.792 -11.992 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.421 -3.398 -12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -22.739 -2.609 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.278 -4.283 -9.858 1.00 0.00 H new ATOM 85 N LYS A 6 -22.282 -0.173 -13.853 1.00 0.00 N ATOM 86 CA LYS A 6 -22.102 0.185 -15.257 1.00 0.00 C ATOM 87 C LYS A 6 -21.156 1.378 -15.380 1.00 0.00 C ATOM 88 O LYS A 6 -21.328 2.394 -14.708 1.00 0.00 O ATOM 89 CB LYS A 6 -23.456 0.534 -15.898 1.00 0.00 C ATOM 90 CG LYS A 6 -23.709 -0.368 -17.112 1.00 0.00 C ATOM 91 CD LYS A 6 -24.600 -1.543 -16.702 1.00 0.00 C ATOM 92 CE LYS A 6 -24.488 -2.657 -17.743 1.00 0.00 C ATOM 93 NZ LYS A 6 -25.656 -3.580 -17.679 1.00 0.00 N ATOM 0 H LYS A 6 -22.204 0.607 -13.201 1.00 0.00 H new ATOM 0 HA LYS A 6 -21.671 -0.670 -15.778 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -24.256 0.409 -15.168 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -23.464 1.580 -16.204 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -24.186 0.203 -17.909 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -22.763 -0.737 -17.507 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -24.301 -1.915 -15.722 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -25.636 -1.215 -16.616 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -24.421 -2.220 -18.740 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -23.569 -3.219 -17.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -25.550 -4.324 -18.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -25.704 -4.014 -16.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -26.530 -3.047 -17.860 1.00 0.00 H new ATOM 107 N LEU A 7 -20.157 1.237 -16.254 1.00 0.00 N ATOM 108 CA LEU A 7 -19.171 2.299 -16.480 1.00 0.00 C ATOM 109 C LEU A 7 -18.289 2.492 -15.247 1.00 0.00 C ATOM 110 O LEU A 7 -17.097 2.185 -15.269 1.00 0.00 O ATOM 111 CB LEU A 7 -19.855 3.626 -16.827 1.00 0.00 C ATOM 112 CG LEU A 7 -20.848 3.566 -17.991 1.00 0.00 C ATOM 113 CD1 LEU A 7 -21.777 4.780 -17.933 1.00 0.00 C ATOM 114 CD2 LEU A 7 -20.082 3.574 -19.315 1.00 0.00 C ATOM 0 H LEU A 7 -20.009 0.399 -16.817 1.00 0.00 H new ATOM 0 HA LEU A 7 -18.550 1.992 -17.322 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -20.379 3.988 -15.942 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -19.086 4.361 -17.065 1.00 0.00 H new ATOM 0 HG LEU A 7 -21.439 2.653 -17.917 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -22.484 4.737 -18.762 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -22.323 4.776 -16.990 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -21.187 5.694 -18.006 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -20.788 3.531 -20.144 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.491 4.487 -19.388 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -19.420 2.709 -19.357 1.00 0.00 H new ATOM 126 N LYS A 8 -18.885 3.003 -14.172 1.00 0.00 N ATOM 127 CA LYS A 8 -18.142 3.232 -12.934 1.00 0.00 C ATOM 128 C LYS A 8 -16.994 4.210 -13.171 1.00 0.00 C ATOM 129 O LYS A 8 -15.901 3.821 -13.582 1.00 0.00 O ATOM 130 CB LYS A 8 -17.573 1.916 -12.399 1.00 0.00 C ATOM 131 CG LYS A 8 -17.508 1.969 -10.871 1.00 0.00 C ATOM 132 CD LYS A 8 -16.335 1.118 -10.379 1.00 0.00 C ATOM 133 CE LYS A 8 -15.102 2.004 -10.194 1.00 0.00 C ATOM 134 NZ LYS A 8 -14.322 2.122 -11.458 1.00 0.00 N ATOM 0 H LYS A 8 -19.870 3.264 -14.132 1.00 0.00 H new ATOM 0 HA LYS A 8 -18.832 3.653 -12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.198 1.082 -12.718 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -16.578 1.744 -12.810 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -17.388 3.000 -10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -18.441 1.602 -10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.593 0.635 -9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.122 0.325 -11.096 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.411 2.995 -9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.468 1.588 -9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.372 2.490 -11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.240 1.186 -11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.809 2.773 -12.107 1.00 0.00 H new ATOM 148 N GLN A 9 -17.256 5.487 -12.905 1.00 0.00 N ATOM 149 CA GLN A 9 -16.239 6.519 -13.092 1.00 0.00 C ATOM 150 C GLN A 9 -15.732 7.016 -11.742 1.00 0.00 C ATOM 151 O GLN A 9 -16.282 6.678 -10.694 1.00 0.00 O ATOM 152 CB GLN A 9 -16.811 7.703 -13.876 1.00 0.00 C ATOM 153 CG GLN A 9 -18.096 8.192 -13.204 1.00 0.00 C ATOM 154 CD GLN A 9 -19.302 7.536 -13.867 1.00 0.00 C ATOM 155 OE1 GLN A 9 -20.159 6.967 -13.191 1.00 0.00 O ATOM 156 NE2 GLN A 9 -19.423 7.583 -15.166 1.00 0.00 N ATOM 0 H GLN A 9 -18.154 5.830 -12.563 1.00 0.00 H new ATOM 0 HA GLN A 9 -15.414 6.079 -13.653 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -16.081 8.511 -13.918 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -17.017 7.406 -14.904 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -18.077 7.951 -12.141 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.170 9.277 -13.284 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.714 8.054 -15.728 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -20.227 7.149 -15.619 1.00 0.00 H new ATOM 165 N HIS A 10 -14.674 7.823 -11.781 1.00 0.00 N ATOM 166 CA HIS A 10 -14.092 8.367 -10.554 1.00 0.00 C ATOM 167 C HIS A 10 -13.623 7.240 -9.637 1.00 0.00 C ATOM 168 O HIS A 10 -13.766 6.059 -9.957 1.00 0.00 O ATOM 169 CB HIS A 10 -15.115 9.224 -9.807 1.00 0.00 C ATOM 170 CG HIS A 10 -15.292 10.534 -10.525 1.00 0.00 C ATOM 171 ND1 HIS A 10 -16.330 10.754 -11.416 1.00 0.00 N ATOM 172 CD2 HIS A 10 -14.569 11.700 -10.496 1.00 0.00 C ATOM 173 CE1 HIS A 10 -16.206 12.011 -11.881 1.00 0.00 C ATOM 174 NE2 HIS A 10 -15.148 12.632 -11.352 1.00 0.00 N ATOM 0 H HIS A 10 -14.205 8.113 -12.639 1.00 0.00 H new ATOM 0 HA HIS A 10 -13.239 8.984 -10.835 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -16.068 8.699 -9.745 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -14.781 9.400 -8.785 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -13.685 11.869 -9.899 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -16.879 12.462 -12.595 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -14.832 13.584 -11.536 1.00 0.00 H new ATOM 182 N SER A 11 -13.063 7.618 -8.492 1.00 0.00 N ATOM 183 CA SER A 11 -12.576 6.631 -7.532 1.00 0.00 C ATOM 184 C SER A 11 -13.527 6.505 -6.338 1.00 0.00 C ATOM 185 O SER A 11 -13.137 6.017 -5.279 1.00 0.00 O ATOM 186 CB SER A 11 -11.192 7.028 -7.019 1.00 0.00 C ATOM 187 OG SER A 11 -10.647 5.957 -6.260 1.00 0.00 O ATOM 0 H SER A 11 -12.936 8.589 -8.207 1.00 0.00 H new ATOM 0 HA SER A 11 -12.521 5.672 -8.047 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.536 7.266 -7.856 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.263 7.925 -6.404 1.00 0.00 H new ATOM 0 HG SER A 11 -11.351 5.555 -5.710 1.00 0.00 H new ATOM 193 N ASP A 12 -14.775 6.951 -6.517 1.00 0.00 N ATOM 194 CA ASP A 12 -15.769 6.880 -5.444 1.00 0.00 C ATOM 195 C ASP A 12 -16.064 5.428 -5.067 1.00 0.00 C ATOM 196 O ASP A 12 -17.070 4.854 -5.486 1.00 0.00 O ATOM 197 CB ASP A 12 -17.071 7.558 -5.879 1.00 0.00 C ATOM 198 CG ASP A 12 -17.541 6.958 -7.200 1.00 0.00 C ATOM 199 OD1 ASP A 12 -16.793 7.035 -8.162 1.00 0.00 O ATOM 200 OD2 ASP A 12 -18.641 6.432 -7.231 1.00 0.00 O ATOM 0 H ASP A 12 -15.117 7.361 -7.386 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.358 7.396 -4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.836 7.424 -5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.915 8.631 -5.990 1.00 0.00 H new ATOM 205 N ALA A 13 -15.174 4.838 -4.269 1.00 0.00 N ATOM 206 CA ALA A 13 -15.334 3.447 -3.829 1.00 0.00 C ATOM 207 C ALA A 13 -14.055 2.962 -3.156 1.00 0.00 C ATOM 208 O ALA A 13 -14.090 2.204 -2.187 1.00 0.00 O ATOM 209 CB ALA A 13 -15.645 2.519 -5.010 1.00 0.00 C ATOM 0 H ALA A 13 -14.336 5.298 -3.913 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.167 3.420 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.757 1.497 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.570 2.838 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.829 2.562 -5.731 1.00 0.00 H new ATOM 215 N CYS A 14 -12.923 3.412 -3.690 1.00 0.00 N ATOM 216 CA CYS A 14 -11.623 3.025 -3.147 1.00 0.00 C ATOM 217 C CYS A 14 -11.311 3.793 -1.860 1.00 0.00 C ATOM 218 O CYS A 14 -10.481 3.365 -1.059 1.00 0.00 O ATOM 219 CB CYS A 14 -10.519 3.299 -4.172 1.00 0.00 C ATOM 220 SG CYS A 14 -10.903 2.430 -5.713 1.00 0.00 S ATOM 0 H CYS A 14 -12.878 4.040 -4.492 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.662 1.959 -2.921 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.436 4.370 -4.356 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.556 2.967 -3.784 1.00 0.00 H new ATOM 225 N LYS A 15 -11.981 4.930 -1.667 1.00 0.00 N ATOM 226 CA LYS A 15 -11.758 5.737 -0.470 1.00 0.00 C ATOM 227 C LYS A 15 -12.443 5.114 0.745 1.00 0.00 C ATOM 228 O LYS A 15 -12.033 5.338 1.885 1.00 0.00 O ATOM 229 CB LYS A 15 -12.295 7.155 -0.672 1.00 0.00 C ATOM 230 CG LYS A 15 -11.441 8.143 0.124 1.00 0.00 C ATOM 231 CD LYS A 15 -11.558 9.537 -0.497 1.00 0.00 C ATOM 232 CE LYS A 15 -10.247 10.299 -0.299 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.347 10.146 -1.477 1.00 0.00 N ATOM 0 H LYS A 15 -12.673 5.308 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.683 5.775 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.278 7.414 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.334 7.212 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.769 8.168 1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.400 7.821 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.785 9.455 -1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.381 10.083 -0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.459 11.356 -0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.743 9.933 0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.466 10.674 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.126 9.139 -1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.820 10.517 -2.326 1.00 0.00 H new ATOM 247 N ALA A 16 -13.495 4.330 0.498 1.00 0.00 N ATOM 248 CA ALA A 16 -14.228 3.682 1.586 1.00 0.00 C ATOM 249 C ALA A 16 -13.295 2.801 2.414 1.00 0.00 C ATOM 250 O ALA A 16 -12.992 3.106 3.567 1.00 0.00 O ATOM 251 CB ALA A 16 -15.362 2.820 1.028 1.00 0.00 C ATOM 0 H ALA A 16 -13.855 4.130 -0.435 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.644 4.464 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.897 2.345 1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.050 3.447 0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.948 2.053 0.374 1.00 0.00 H new ATOM 257 N GLU A 17 -12.840 1.706 1.810 1.00 0.00 N ATOM 258 CA GLU A 17 -11.938 0.788 2.500 1.00 0.00 C ATOM 259 C GLU A 17 -10.504 1.301 2.427 1.00 0.00 C ATOM 260 O GLU A 17 -9.863 1.539 3.449 1.00 0.00 O ATOM 261 CB GLU A 17 -12.003 -0.608 1.871 1.00 0.00 C ATOM 262 CG GLU A 17 -11.174 -1.589 2.706 1.00 0.00 C ATOM 263 CD GLU A 17 -11.412 -3.010 2.205 1.00 0.00 C ATOM 264 OE1 GLU A 17 -12.547 -3.455 2.263 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.456 -3.632 1.772 1.00 0.00 O ATOM 0 H GLU A 17 -13.077 1.435 0.856 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.252 0.727 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.038 -0.945 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.625 -0.575 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.115 -1.339 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.450 -1.512 3.758 1.00 0.00 H new ATOM 272 N SER A 18 -10.007 1.462 1.202 1.00 0.00 N ATOM 273 CA SER A 18 -8.644 1.942 0.999 1.00 0.00 C ATOM 274 C SER A 18 -8.552 3.440 1.290 1.00 0.00 C ATOM 275 O SER A 18 -8.296 4.252 0.399 1.00 0.00 O ATOM 276 CB SER A 18 -8.189 1.670 -0.436 1.00 0.00 C ATOM 277 OG SER A 18 -8.892 0.544 -0.948 1.00 0.00 O ATOM 0 H SER A 18 -10.523 1.269 0.343 1.00 0.00 H new ATOM 0 HA SER A 18 -7.991 1.406 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.375 2.544 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.115 1.484 -0.460 1.00 0.00 H new ATOM 0 HG SER A 18 -8.996 0.637 -1.918 1.00 0.00 H new ATOM 283 N GLY A 19 -8.762 3.796 2.554 1.00 0.00 N ATOM 284 CA GLY A 19 -8.700 5.193 2.964 1.00 0.00 C ATOM 285 C GLY A 19 -7.327 5.521 3.538 1.00 0.00 C ATOM 286 O GLY A 19 -7.211 6.161 4.583 1.00 0.00 O ATOM 0 H GLY A 19 -8.975 3.141 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.907 5.838 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.470 5.394 3.709 1.00 0.00 H new ATOM 290 N VAL A 20 -6.284 5.070 2.842 1.00 0.00 N ATOM 291 CA VAL A 20 -4.911 5.310 3.284 1.00 0.00 C ATOM 292 C VAL A 20 -4.647 6.812 3.438 1.00 0.00 C ATOM 293 O VAL A 20 -3.876 7.233 4.300 1.00 0.00 O ATOM 294 CB VAL A 20 -3.919 4.703 2.277 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.083 5.375 0.910 1.00 0.00 C ATOM 296 CG2 VAL A 20 -2.482 4.902 2.774 1.00 0.00 C ATOM 0 H VAL A 20 -6.363 4.539 1.974 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.773 4.833 4.254 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.124 3.637 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.377 4.939 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.100 5.221 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.889 6.443 1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.785 4.470 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.278 5.967 2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.359 4.411 3.739 1.00 0.00 H new ATOM 306 N SER A 21 -5.297 7.608 2.588 1.00 0.00 N ATOM 307 CA SER A 21 -5.135 9.064 2.627 1.00 0.00 C ATOM 308 C SER A 21 -3.659 9.450 2.503 1.00 0.00 C ATOM 309 O SER A 21 -2.806 8.609 2.220 1.00 0.00 O ATOM 310 CB SER A 21 -5.704 9.636 3.929 1.00 0.00 C ATOM 311 OG SER A 21 -4.776 9.434 4.989 1.00 0.00 O ATOM 0 H SER A 21 -5.937 7.273 1.868 1.00 0.00 H new ATOM 0 HA SER A 21 -5.683 9.482 1.783 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.909 10.700 3.811 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.652 9.153 4.166 1.00 0.00 H new ATOM 0 HG SER A 21 -4.667 8.473 5.150 1.00 0.00 H new ATOM 317 N GLU A 22 -3.371 10.730 2.721 1.00 0.00 N ATOM 318 CA GLU A 22 -1.997 11.216 2.633 1.00 0.00 C ATOM 319 C GLU A 22 -1.271 10.994 3.960 1.00 0.00 C ATOM 320 O GLU A 22 -0.787 11.934 4.594 1.00 0.00 O ATOM 321 CB GLU A 22 -1.979 12.707 2.282 1.00 0.00 C ATOM 322 CG GLU A 22 -2.636 12.920 0.918 1.00 0.00 C ATOM 323 CD GLU A 22 -3.326 14.280 0.892 1.00 0.00 C ATOM 324 OE1 GLU A 22 -4.400 14.388 1.460 1.00 0.00 O ATOM 325 OE2 GLU A 22 -2.769 15.193 0.304 1.00 0.00 O ATOM 0 H GLU A 22 -4.062 11.443 2.957 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.486 10.659 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.509 13.277 3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.953 13.075 2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.886 12.866 0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.361 12.129 0.724 1.00 0.00 H new ATOM 332 N GLU A 23 -1.199 9.732 4.373 1.00 0.00 N ATOM 333 CA GLU A 23 -0.531 9.383 5.623 1.00 0.00 C ATOM 334 C GLU A 23 0.528 8.315 5.370 1.00 0.00 C ATOM 335 O GLU A 23 1.725 8.562 5.512 1.00 0.00 O ATOM 336 CB GLU A 23 -1.542 8.857 6.643 1.00 0.00 C ATOM 337 CG GLU A 23 -0.860 8.693 8.003 1.00 0.00 C ATOM 338 CD GLU A 23 -0.578 10.068 8.600 1.00 0.00 C ATOM 339 OE1 GLU A 23 -1.475 10.623 9.211 1.00 0.00 O ATOM 340 OE2 GLU A 23 0.534 10.546 8.437 1.00 0.00 O ATOM 0 H GLU A 23 -1.592 8.939 3.865 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.058 10.281 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.382 9.547 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.946 7.901 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.497 8.117 8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.070 8.136 7.890 1.00 0.00 H new ATOM 347 N SER A 24 0.073 7.127 4.982 1.00 0.00 N ATOM 348 CA SER A 24 0.990 6.028 4.697 1.00 0.00 C ATOM 349 C SER A 24 1.759 6.309 3.410 1.00 0.00 C ATOM 350 O SER A 24 2.917 5.922 3.263 1.00 0.00 O ATOM 351 CB SER A 24 0.225 4.714 4.543 1.00 0.00 C ATOM 352 OG SER A 24 -0.899 4.721 5.414 1.00 0.00 O ATOM 0 H SER A 24 -0.914 6.902 4.859 1.00 0.00 H new ATOM 0 HA SER A 24 1.686 5.942 5.532 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.101 4.588 3.511 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.876 3.871 4.777 1.00 0.00 H new ATOM 0 HG SER A 24 -1.203 3.801 5.563 1.00 0.00 H new ATOM 358 N LEU A 25 1.096 6.995 2.479 1.00 0.00 N ATOM 359 CA LEU A 25 1.718 7.334 1.202 1.00 0.00 C ATOM 360 C LEU A 25 2.956 8.200 1.425 1.00 0.00 C ATOM 361 O LEU A 25 3.994 7.998 0.797 1.00 0.00 O ATOM 362 CB LEU A 25 0.726 8.091 0.315 1.00 0.00 C ATOM 363 CG LEU A 25 -0.188 7.211 -0.541 1.00 0.00 C ATOM 364 CD1 LEU A 25 -1.222 8.087 -1.252 1.00 0.00 C ATOM 365 CD2 LEU A 25 0.651 6.467 -1.583 1.00 0.00 C ATOM 0 H LEU A 25 0.136 7.324 2.585 1.00 0.00 H new ATOM 0 HA LEU A 25 2.012 6.407 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.105 8.723 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.286 8.754 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.700 6.491 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.873 7.460 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.820 8.618 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.711 8.808 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.001 5.840 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.162 7.188 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.388 5.842 -1.078 1.00 0.00 H new ATOM 377 N ASN A 26 2.832 9.163 2.334 1.00 0.00 N ATOM 378 CA ASN A 26 3.948 10.054 2.641 1.00 0.00 C ATOM 379 C ASN A 26 5.086 9.268 3.284 1.00 0.00 C ATOM 380 O ASN A 26 6.262 9.530 3.034 1.00 0.00 O ATOM 381 CB ASN A 26 3.504 11.162 3.597 1.00 0.00 C ATOM 382 CG ASN A 26 2.935 12.327 2.795 1.00 0.00 C ATOM 383 OD1 ASN A 26 3.286 13.484 3.032 1.00 0.00 O ATOM 384 ND2 ASN A 26 2.067 12.092 1.849 1.00 0.00 N ATOM 0 H ASN A 26 1.981 9.346 2.866 1.00 0.00 H new ATOM 0 HA ASN A 26 4.292 10.501 1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.752 10.781 4.288 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.349 11.498 4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.681 12.865 1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.775 11.135 1.651 1.00 0.00 H new ATOM 391 N LYS A 27 4.718 8.296 4.116 1.00 0.00 N ATOM 392 CA LYS A 27 5.711 7.466 4.794 1.00 0.00 C ATOM 393 C LYS A 27 6.575 6.717 3.779 1.00 0.00 C ATOM 394 O LYS A 27 7.721 6.365 4.062 1.00 0.00 O ATOM 395 CB LYS A 27 5.025 6.452 5.710 1.00 0.00 C ATOM 396 CG LYS A 27 4.797 7.078 7.087 1.00 0.00 C ATOM 397 CD LYS A 27 3.916 6.156 7.930 1.00 0.00 C ATOM 398 CE LYS A 27 3.446 6.900 9.180 1.00 0.00 C ATOM 399 NZ LYS A 27 4.484 6.877 10.250 1.00 0.00 N ATOM 0 H LYS A 27 3.749 8.065 4.336 1.00 0.00 H new ATOM 0 HA LYS A 27 6.345 8.124 5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.074 6.142 5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.640 5.557 5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.752 7.241 7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.322 8.053 6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.057 5.824 7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.473 5.263 8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.209 7.932 8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.528 6.445 9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.134 7.390 11.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.691 5.892 10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.352 7.333 9.902 1.00 0.00 H new ATOM 413 N VAL A 28 6.016 6.478 2.593 1.00 0.00 N ATOM 414 CA VAL A 28 6.747 5.770 1.544 1.00 0.00 C ATOM 415 C VAL A 28 8.008 6.543 1.157 1.00 0.00 C ATOM 416 O VAL A 28 9.010 5.955 0.748 1.00 0.00 O ATOM 417 CB VAL A 28 5.863 5.591 0.303 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.598 4.744 -0.742 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.561 4.887 0.698 1.00 0.00 C ATOM 0 H VAL A 28 5.070 6.761 2.337 1.00 0.00 H new ATOM 0 HA VAL A 28 7.029 4.791 1.930 1.00 0.00 H new ATOM 0 HB VAL A 28 5.638 6.571 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.965 4.620 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.524 5.243 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.829 3.766 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.934 4.760 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.790 3.910 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.031 5.489 1.436 1.00 0.00 H new ATOM 429 N ARG A 29 7.950 7.869 1.291 1.00 0.00 N ATOM 430 CA ARG A 29 9.093 8.717 0.953 1.00 0.00 C ATOM 431 C ARG A 29 10.331 8.298 1.744 1.00 0.00 C ATOM 432 O ARG A 29 11.461 8.422 1.269 1.00 0.00 O ATOM 433 CB ARG A 29 8.782 10.182 1.260 1.00 0.00 C ATOM 434 CG ARG A 29 7.777 10.716 0.237 1.00 0.00 C ATOM 435 CD ARG A 29 8.512 11.093 -1.051 1.00 0.00 C ATOM 436 NE ARG A 29 9.342 12.277 -0.843 1.00 0.00 N ATOM 437 CZ ARG A 29 10.238 12.652 -1.751 1.00 0.00 C ATOM 438 NH1 ARG A 29 9.844 13.114 -2.906 1.00 0.00 N ATOM 439 NH2 ARG A 29 11.512 12.559 -1.487 1.00 0.00 N ATOM 0 H ARG A 29 7.131 8.375 1.628 1.00 0.00 H new ATOM 0 HA ARG A 29 9.289 8.600 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.376 10.275 2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.697 10.773 1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.019 9.961 0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.258 11.586 0.640 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.134 10.260 -1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.790 11.283 -1.845 1.00 0.00 H new ATOM 0 HE ARG A 29 9.233 12.824 0.011 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.848 13.188 -3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.532 13.401 -3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.821 12.199 -0.584 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.199 12.847 -2.183 1.00 0.00 H new ATOM 453 N ASN A 30 10.104 7.795 2.955 1.00 0.00 N ATOM 454 CA ASN A 30 11.207 7.354 3.805 1.00 0.00 C ATOM 455 C ASN A 30 11.525 5.887 3.540 1.00 0.00 C ATOM 456 O ASN A 30 10.652 5.022 3.623 1.00 0.00 O ATOM 457 CB ASN A 30 10.847 7.529 5.282 1.00 0.00 C ATOM 458 CG ASN A 30 11.014 8.992 5.676 1.00 0.00 C ATOM 459 OD1 ASN A 30 12.087 9.570 5.504 1.00 0.00 O ATOM 460 ND2 ASN A 30 10.006 9.632 6.202 1.00 0.00 N ATOM 0 H ASN A 30 9.177 7.683 3.366 1.00 0.00 H new ATOM 0 HA ASN A 30 12.080 7.964 3.571 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.820 7.209 5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.487 6.899 5.900 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.107 10.611 6.470 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.117 9.154 6.345 1.00 0.00 H new ATOM 467 N ARG A 31 12.787 5.616 3.218 1.00 0.00 N ATOM 468 CA ARG A 31 13.216 4.248 2.941 1.00 0.00 C ATOM 469 C ARG A 31 13.346 3.455 4.237 1.00 0.00 C ATOM 470 O ARG A 31 14.441 3.299 4.781 1.00 0.00 O ATOM 471 CB ARG A 31 14.563 4.247 2.214 1.00 0.00 C ATOM 472 CG ARG A 31 14.703 2.961 1.398 1.00 0.00 C ATOM 473 CD ARG A 31 16.152 2.807 0.932 1.00 0.00 C ATOM 474 NE ARG A 31 16.388 3.589 -0.279 1.00 0.00 N ATOM 475 CZ ARG A 31 17.210 3.150 -1.228 1.00 0.00 C ATOM 476 NH1 ARG A 31 17.149 1.906 -1.620 1.00 0.00 N ATOM 477 NH2 ARG A 31 18.078 3.962 -1.767 1.00 0.00 N ATOM 0 H ARG A 31 13.524 6.317 3.143 1.00 0.00 H new ATOM 0 HA ARG A 31 12.462 3.781 2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 31 14.635 5.115 1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.377 4.323 2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.411 2.101 2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.034 2.989 0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.830 3.134 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.369 1.756 0.741 1.00 0.00 H new ATOM 0 HE ARG A 31 15.915 4.485 -0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 31 16.471 1.271 -1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 31 17.779 1.569 -2.348 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.126 4.934 -1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.708 3.625 -2.495 1.00 0.00 H new ATOM 491 N GLU A 32 12.216 2.954 4.726 1.00 0.00 N ATOM 492 CA GLU A 32 12.212 2.174 5.960 1.00 0.00 C ATOM 493 C GLU A 32 11.371 0.909 5.792 1.00 0.00 C ATOM 494 O GLU A 32 11.906 -0.188 5.631 1.00 0.00 O ATOM 495 CB GLU A 32 11.652 3.005 7.119 1.00 0.00 C ATOM 496 CG GLU A 32 12.728 3.969 7.624 1.00 0.00 C ATOM 497 CD GLU A 32 12.219 4.699 8.862 1.00 0.00 C ATOM 498 OE1 GLU A 32 11.236 5.413 8.742 1.00 0.00 O ATOM 499 OE2 GLU A 32 12.818 4.532 9.911 1.00 0.00 O ATOM 0 H GLU A 32 11.300 3.072 4.293 1.00 0.00 H new ATOM 0 HA GLU A 32 13.241 1.893 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.775 3.562 6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.328 2.349 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.640 3.421 7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.982 4.687 6.844 1.00 0.00 H new ATOM 506 N GLU A 33 10.048 1.073 5.827 1.00 0.00 N ATOM 507 CA GLU A 33 9.142 -0.065 5.676 1.00 0.00 C ATOM 508 C GLU A 33 7.690 0.395 5.769 1.00 0.00 C ATOM 509 O GLU A 33 7.397 1.475 6.283 1.00 0.00 O ATOM 510 CB GLU A 33 9.400 -1.111 6.765 1.00 0.00 C ATOM 511 CG GLU A 33 9.111 -2.507 6.209 1.00 0.00 C ATOM 512 CD GLU A 33 10.039 -3.520 6.872 1.00 0.00 C ATOM 513 OE1 GLU A 33 11.226 -3.247 6.946 1.00 0.00 O ATOM 514 OE2 GLU A 33 9.549 -4.554 7.296 1.00 0.00 O ATOM 0 H GLU A 33 9.584 1.972 5.957 1.00 0.00 H new ATOM 0 HA GLU A 33 9.325 -0.509 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.434 -1.050 7.105 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.767 -0.914 7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.071 -2.775 6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.256 -2.517 5.129 1.00 0.00 H new ATOM 521 N VAL A 34 6.784 -0.441 5.268 1.00 0.00 N ATOM 522 CA VAL A 34 5.360 -0.116 5.301 1.00 0.00 C ATOM 523 C VAL A 34 4.527 -1.392 5.366 1.00 0.00 C ATOM 524 O VAL A 34 4.910 -2.430 4.825 1.00 0.00 O ATOM 525 CB VAL A 34 4.956 0.678 4.054 1.00 0.00 C ATOM 526 CG1 VAL A 34 3.512 1.166 4.201 1.00 0.00 C ATOM 527 CG2 VAL A 34 5.885 1.885 3.896 1.00 0.00 C ATOM 0 H VAL A 34 7.007 -1.339 4.839 1.00 0.00 H new ATOM 0 HA VAL A 34 5.176 0.489 6.189 1.00 0.00 H new ATOM 0 HB VAL A 34 5.035 0.037 3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.227 1.730 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.848 0.309 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.432 1.806 5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.599 2.451 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.805 2.524 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.914 1.541 3.790 1.00 0.00 H new ATOM 537 N ASP A 35 3.381 -1.302 6.034 1.00 0.00 N ATOM 538 CA ASP A 35 2.494 -2.452 6.166 1.00 0.00 C ATOM 539 C ASP A 35 1.042 -1.989 6.289 1.00 0.00 C ATOM 540 O ASP A 35 0.432 -2.074 7.356 1.00 0.00 O ATOM 541 CB ASP A 35 2.869 -3.280 7.398 1.00 0.00 C ATOM 542 CG ASP A 35 2.898 -2.379 8.628 1.00 0.00 C ATOM 543 OD1 ASP A 35 3.896 -1.704 8.822 1.00 0.00 O ATOM 544 OD2 ASP A 35 1.920 -2.376 9.358 1.00 0.00 O ATOM 0 H ASP A 35 3.047 -0.452 6.489 1.00 0.00 H new ATOM 0 HA ASP A 35 2.602 -3.070 5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.148 -4.085 7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.843 -3.746 7.253 1.00 0.00 H new ATOM 549 N ASP A 36 0.497 -1.495 5.181 1.00 0.00 N ATOM 550 CA ASP A 36 -0.882 -1.018 5.174 1.00 0.00 C ATOM 551 C ASP A 36 -1.623 -1.538 3.937 1.00 0.00 C ATOM 552 O ASP A 36 -1.104 -1.462 2.823 1.00 0.00 O ATOM 553 CB ASP A 36 -0.918 0.512 5.166 1.00 0.00 C ATOM 554 CG ASP A 36 -0.786 1.031 6.595 1.00 0.00 C ATOM 555 OD1 ASP A 36 0.218 0.734 7.221 1.00 0.00 O ATOM 556 OD2 ASP A 36 -1.692 1.716 7.040 1.00 0.00 O ATOM 0 H ASP A 36 0.982 -1.415 4.287 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.371 -1.390 6.075 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.108 0.902 4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.851 0.862 4.725 1.00 0.00 H new ATOM 561 N PRO A 37 -2.844 -2.072 4.108 1.00 0.00 N ATOM 562 CA PRO A 37 -3.633 -2.596 2.983 1.00 0.00 C ATOM 563 C PRO A 37 -4.190 -1.483 2.099 1.00 0.00 C ATOM 564 O PRO A 37 -4.164 -1.572 0.871 1.00 0.00 O ATOM 565 CB PRO A 37 -4.773 -3.359 3.654 1.00 0.00 C ATOM 566 CG PRO A 37 -4.921 -2.732 4.997 1.00 0.00 C ATOM 567 CD PRO A 37 -3.564 -2.218 5.386 1.00 0.00 C ATOM 0 HA PRO A 37 -3.026 -3.215 2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.695 -3.278 3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.541 -4.421 3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.648 -1.921 4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.283 -3.458 5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.636 -1.266 5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.053 -2.913 6.053 1.00 0.00 H new ATOM 575 N LYS A 38 -4.696 -0.432 2.743 1.00 0.00 N ATOM 576 CA LYS A 38 -5.266 0.709 2.020 1.00 0.00 C ATOM 577 C LYS A 38 -4.279 1.258 0.991 1.00 0.00 C ATOM 578 O LYS A 38 -4.667 1.692 -0.093 1.00 0.00 O ATOM 579 CB LYS A 38 -5.629 1.831 2.994 1.00 0.00 C ATOM 580 CG LYS A 38 -6.645 1.319 4.017 1.00 0.00 C ATOM 581 CD LYS A 38 -6.477 2.088 5.329 1.00 0.00 C ATOM 582 CE LYS A 38 -7.371 1.468 6.404 1.00 0.00 C ATOM 583 NZ LYS A 38 -6.766 1.602 7.760 1.00 0.00 N ATOM 0 H LYS A 38 -4.724 -0.345 3.759 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.161 0.356 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.734 2.187 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.044 2.679 2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.658 1.447 3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.500 0.252 4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.435 2.060 5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.738 3.136 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.348 1.952 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.534 0.414 6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.397 1.172 8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.845 1.119 7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.633 2.609 7.983 1.00 0.00 H new ATOM 597 N LEU A 39 -2.996 1.236 1.345 1.00 0.00 N ATOM 598 CA LEU A 39 -1.960 1.735 0.445 1.00 0.00 C ATOM 599 C LEU A 39 -1.880 0.867 -0.809 1.00 0.00 C ATOM 600 O LEU A 39 -1.932 1.367 -1.932 1.00 0.00 O ATOM 601 CB LEU A 39 -0.599 1.744 1.151 1.00 0.00 C ATOM 602 CG LEU A 39 0.251 2.995 0.914 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.594 2.842 1.630 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.493 3.171 -0.587 1.00 0.00 C ATOM 0 H LEU A 39 -2.652 0.882 2.238 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.220 2.754 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.763 1.634 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.032 0.872 0.824 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.272 3.868 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.200 3.732 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.424 2.716 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.117 1.969 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.098 4.062 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.016 2.298 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.463 3.279 -1.099 1.00 0.00 H new ATOM 616 N LYS A 40 -1.752 -0.441 -0.601 1.00 0.00 N ATOM 617 CA LYS A 40 -1.668 -1.376 -1.720 1.00 0.00 C ATOM 618 C LYS A 40 -2.963 -1.361 -2.524 1.00 0.00 C ATOM 619 O LYS A 40 -2.948 -1.400 -3.755 1.00 0.00 O ATOM 620 CB LYS A 40 -1.413 -2.797 -1.213 1.00 0.00 C ATOM 621 CG LYS A 40 -0.198 -2.803 -0.283 1.00 0.00 C ATOM 622 CD LYS A 40 0.441 -4.193 -0.284 1.00 0.00 C ATOM 623 CE LYS A 40 -0.368 -5.127 0.617 1.00 0.00 C ATOM 624 NZ LYS A 40 -0.012 -4.941 2.053 1.00 0.00 N ATOM 0 H LYS A 40 -1.705 -0.874 0.321 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.840 -1.064 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.291 -3.167 -0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.242 -3.468 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.527 -2.058 -0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.500 -2.531 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.475 -4.589 -1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.471 -4.132 0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.432 -4.938 0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.187 -6.162 0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.578 -5.589 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.999 -5.145 2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.208 -3.959 2.335 1.00 0.00 H new ATOM 638 N GLU A 41 -4.084 -1.305 -1.812 1.00 0.00 N ATOM 639 CA GLU A 41 -5.392 -1.289 -2.463 1.00 0.00 C ATOM 640 C GLU A 41 -5.553 -0.038 -3.322 1.00 0.00 C ATOM 641 O GLU A 41 -5.940 -0.114 -4.488 1.00 0.00 O ATOM 642 CB GLU A 41 -6.509 -1.319 -1.418 1.00 0.00 C ATOM 643 CG GLU A 41 -6.621 -2.727 -0.829 1.00 0.00 C ATOM 644 CD GLU A 41 -7.986 -2.894 -0.170 1.00 0.00 C ATOM 645 OE1 GLU A 41 -8.920 -3.252 -0.869 1.00 0.00 O ATOM 646 OE2 GLU A 41 -8.077 -2.663 1.025 1.00 0.00 O ATOM 0 H GLU A 41 -4.115 -1.270 -0.793 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.459 -2.173 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.301 -0.598 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.455 -1.028 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.490 -3.473 -1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.829 -2.891 -0.098 1.00 0.00 H new ATOM 653 N HIS A 42 -5.256 1.120 -2.729 1.00 0.00 N ATOM 654 CA HIS A 42 -5.376 2.398 -3.440 1.00 0.00 C ATOM 655 C HIS A 42 -4.637 2.363 -4.779 1.00 0.00 C ATOM 656 O HIS A 42 -5.179 2.751 -5.812 1.00 0.00 O ATOM 657 CB HIS A 42 -4.804 3.537 -2.590 1.00 0.00 C ATOM 658 CG HIS A 42 -5.419 4.841 -3.022 1.00 0.00 C ATOM 659 ND1 HIS A 42 -5.435 5.958 -2.200 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.043 5.223 -4.183 1.00 0.00 C ATOM 661 CE1 HIS A 42 -6.050 6.948 -2.873 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.441 6.553 -4.087 1.00 0.00 N ATOM 0 H HIS A 42 -4.933 1.201 -1.765 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.437 2.568 -3.625 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.010 3.357 -1.535 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.720 3.579 -2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.201 4.587 -5.042 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.208 7.941 -2.479 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.927 7.107 -4.792 1.00 0.00 H new ATOM 670 N ALA A 43 -3.392 1.895 -4.752 1.00 0.00 N ATOM 671 CA ALA A 43 -2.587 1.815 -5.973 1.00 0.00 C ATOM 672 C ALA A 43 -3.305 1.008 -7.055 1.00 0.00 C ATOM 673 O ALA A 43 -3.458 1.460 -8.190 1.00 0.00 O ATOM 674 CB ALA A 43 -1.240 1.153 -5.678 1.00 0.00 C ATOM 0 H ALA A 43 -2.920 1.568 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.431 2.833 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.652 1.100 -6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.701 1.740 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.406 0.146 -5.295 1.00 0.00 H new ATOM 680 N PHE A 44 -3.736 -0.197 -6.689 1.00 0.00 N ATOM 681 CA PHE A 44 -4.428 -1.077 -7.632 1.00 0.00 C ATOM 682 C PHE A 44 -5.676 -0.407 -8.211 1.00 0.00 C ATOM 683 O PHE A 44 -6.069 -0.683 -9.344 1.00 0.00 O ATOM 684 CB PHE A 44 -4.837 -2.379 -6.935 1.00 0.00 C ATOM 685 CG PHE A 44 -5.366 -3.364 -7.955 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.621 -3.661 -9.104 1.00 0.00 C ATOM 687 CD2 PHE A 44 -6.604 -3.984 -7.745 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.116 -4.576 -10.042 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.097 -4.900 -8.683 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.354 -5.196 -9.831 1.00 0.00 C ATOM 0 H PHE A 44 -3.620 -0.586 -5.753 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.738 -1.291 -8.448 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.981 -2.807 -6.413 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.600 -2.175 -6.183 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.665 -3.185 -9.266 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.179 -3.756 -6.860 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.543 -4.804 -10.928 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.052 -5.378 -8.520 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.735 -5.902 -10.554 1.00 0.00 H new ATOM 700 N CYS A 45 -6.299 0.467 -7.426 1.00 0.00 N ATOM 701 CA CYS A 45 -7.504 1.155 -7.890 1.00 0.00 C ATOM 702 C CYS A 45 -7.183 2.042 -9.090 1.00 0.00 C ATOM 703 O CYS A 45 -8.011 2.223 -9.984 1.00 0.00 O ATOM 704 CB CYS A 45 -8.104 2.015 -6.769 1.00 0.00 C ATOM 705 SG CYS A 45 -9.405 1.091 -5.914 1.00 0.00 S ATOM 0 H CYS A 45 -5.999 0.714 -6.483 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.230 0.397 -8.185 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.325 2.302 -6.062 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.513 2.936 -7.184 1.00 0.00 H new ATOM 710 N ILE A 46 -5.972 2.590 -9.103 1.00 0.00 N ATOM 711 CA ILE A 46 -5.549 3.453 -10.203 1.00 0.00 C ATOM 712 C ILE A 46 -4.773 2.625 -11.234 1.00 0.00 C ATOM 713 O ILE A 46 -4.820 2.904 -12.431 1.00 0.00 O ATOM 714 CB ILE A 46 -4.689 4.626 -9.668 1.00 0.00 C ATOM 715 CG1 ILE A 46 -5.600 5.653 -8.982 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.941 5.336 -10.809 1.00 0.00 C ATOM 717 CD1 ILE A 46 -6.250 5.035 -7.744 1.00 0.00 C ATOM 0 H ILE A 46 -5.272 2.455 -8.373 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.427 3.879 -10.688 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.963 4.216 -8.966 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.021 6.532 -8.698 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.370 5.989 -9.677 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.347 6.154 -10.401 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.284 4.626 -11.311 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.661 5.733 -11.525 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.894 5.772 -7.265 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.845 4.170 -8.039 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.475 4.721 -7.045 1.00 0.00 H new ATOM 729 N LEU A 47 -4.068 1.600 -10.756 1.00 0.00 N ATOM 730 CA LEU A 47 -3.298 0.737 -11.651 1.00 0.00 C ATOM 731 C LEU A 47 -4.229 0.070 -12.665 1.00 0.00 C ATOM 732 O LEU A 47 -3.960 0.058 -13.865 1.00 0.00 O ATOM 733 CB LEU A 47 -2.550 -0.339 -10.849 1.00 0.00 C ATOM 734 CG LEU A 47 -1.025 -0.310 -10.969 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.618 -0.660 -12.401 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.512 1.090 -10.619 1.00 0.00 C ATOM 0 H LEU A 47 -4.014 1.349 -9.769 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.569 1.351 -12.180 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.816 -0.234 -9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.904 -1.319 -11.171 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.593 -1.037 -10.282 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.468 -0.639 -12.486 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.982 -1.657 -12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.050 0.066 -13.090 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.574 1.111 -10.704 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.944 1.818 -11.305 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.801 1.338 -9.598 1.00 0.00 H new ATOM 748 N LYS A 48 -5.331 -0.479 -12.159 1.00 0.00 N ATOM 749 CA LYS A 48 -6.306 -1.142 -13.019 1.00 0.00 C ATOM 750 C LYS A 48 -6.977 -0.130 -13.942 1.00 0.00 C ATOM 751 O LYS A 48 -7.239 -0.413 -15.111 1.00 0.00 O ATOM 752 CB LYS A 48 -7.378 -1.836 -12.174 1.00 0.00 C ATOM 753 CG LYS A 48 -8.178 -2.801 -13.053 1.00 0.00 C ATOM 754 CD LYS A 48 -9.633 -2.835 -12.584 1.00 0.00 C ATOM 755 CE LYS A 48 -9.706 -3.455 -11.186 1.00 0.00 C ATOM 756 NZ LYS A 48 -11.080 -3.947 -10.881 1.00 0.00 N ATOM 0 H LYS A 48 -5.569 -0.478 -11.167 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.779 -1.885 -13.618 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.912 -2.378 -11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.043 -1.095 -11.731 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.128 -2.486 -14.095 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.745 -3.800 -13.001 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.044 -1.826 -12.567 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.238 -3.414 -13.282 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.998 -4.281 -11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.409 -2.716 -10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.097 -4.361 -9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.751 -3.153 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.352 -4.670 -11.577 1.00 0.00 H new ATOM 770 N ARG A 49 -7.255 1.055 -13.403 1.00 0.00 N ATOM 771 CA ARG A 49 -7.899 2.105 -14.188 1.00 0.00 C ATOM 772 C ARG A 49 -6.946 2.637 -15.254 1.00 0.00 C ATOM 773 O ARG A 49 -7.343 2.893 -16.391 1.00 0.00 O ATOM 774 CB ARG A 49 -8.329 3.261 -13.284 1.00 0.00 C ATOM 775 CG ARG A 49 -9.739 2.996 -12.749 1.00 0.00 C ATOM 776 CD ARG A 49 -10.765 3.683 -13.651 1.00 0.00 C ATOM 777 NE ARG A 49 -11.086 5.015 -13.145 1.00 0.00 N ATOM 778 CZ ARG A 49 -10.671 6.107 -13.780 1.00 0.00 C ATOM 779 NH1 ARG A 49 -9.491 6.603 -13.521 1.00 0.00 N ATOM 780 NH2 ARG A 49 -11.443 6.684 -14.660 1.00 0.00 N ATOM 0 H ARG A 49 -7.047 1.310 -12.438 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.777 1.673 -14.669 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.629 3.368 -12.456 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.310 4.198 -13.841 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.930 1.924 -12.714 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.828 3.369 -11.729 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.373 3.758 -14.665 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.672 3.080 -13.704 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.637 5.109 -12.292 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.889 6.153 -12.832 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.172 7.441 -14.008 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.365 6.297 -14.861 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.124 7.522 -15.147 1.00 0.00 H new ATOM 794 N ALA A 50 -5.684 2.803 -14.870 1.00 0.00 N ATOM 795 CA ALA A 50 -4.673 3.308 -15.795 1.00 0.00 C ATOM 796 C ALA A 50 -4.531 2.389 -17.008 1.00 0.00 C ATOM 797 O ALA A 50 -4.136 2.826 -18.089 1.00 0.00 O ATOM 798 CB ALA A 50 -3.317 3.418 -15.096 1.00 0.00 C ATOM 0 H ALA A 50 -5.338 2.597 -13.933 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.996 4.294 -16.129 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.575 3.796 -15.799 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.398 4.102 -14.251 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.011 2.435 -14.739 1.00 0.00 H new ATOM 804 N GLY A 51 -4.851 1.111 -16.819 1.00 0.00 N ATOM 805 CA GLY A 51 -4.749 0.145 -17.906 1.00 0.00 C ATOM 806 C GLY A 51 -3.502 -0.736 -17.765 1.00 0.00 C ATOM 807 O GLY A 51 -3.356 -1.734 -18.471 1.00 0.00 O ATOM 0 H GLY A 51 -5.179 0.725 -15.934 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.639 -0.484 -17.919 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.717 0.672 -18.860 1.00 0.00 H new ATOM 811 N PHE A 52 -2.600 -0.362 -16.850 1.00 0.00 N ATOM 812 CA PHE A 52 -1.373 -1.131 -16.635 1.00 0.00 C ATOM 813 C PHE A 52 -1.696 -2.585 -16.298 1.00 0.00 C ATOM 814 O PHE A 52 -1.015 -3.508 -16.744 1.00 0.00 O ATOM 815 CB PHE A 52 -0.566 -0.523 -15.486 1.00 0.00 C ATOM 816 CG PHE A 52 0.384 0.518 -16.028 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.296 0.179 -17.035 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.352 1.823 -15.524 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.176 1.145 -17.537 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.232 2.790 -16.026 1.00 0.00 C ATOM 821 CZ PHE A 52 2.145 2.451 -17.032 1.00 0.00 C ATOM 0 H PHE A 52 -2.696 0.460 -16.253 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.790 -1.098 -17.555 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.238 -0.072 -14.756 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.009 -1.303 -14.967 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.320 -0.828 -17.424 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.352 2.085 -14.748 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.879 0.883 -18.314 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.206 3.797 -15.637 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.825 3.196 -17.418 1.00 0.00 H new ATOM 831 N ILE A 53 -2.743 -2.775 -15.502 1.00 0.00 N ATOM 832 CA ILE A 53 -3.152 -4.119 -15.106 1.00 0.00 C ATOM 833 C ILE A 53 -4.639 -4.325 -15.411 1.00 0.00 C ATOM 834 O ILE A 53 -5.458 -3.433 -15.200 1.00 0.00 O ATOM 835 CB ILE A 53 -2.879 -4.335 -13.610 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.233 -5.775 -13.220 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.712 -3.357 -12.775 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.407 -6.193 -12.001 1.00 0.00 C ATOM 0 H ILE A 53 -3.319 -2.024 -15.121 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.574 -4.847 -15.674 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.821 -4.157 -13.416 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.297 -5.851 -12.995 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.035 -6.448 -14.054 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.510 -3.519 -11.716 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.448 -2.334 -13.042 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.771 -3.521 -12.972 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.659 -7.217 -11.724 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.346 -6.133 -12.243 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.627 -5.527 -11.167 1.00 0.00 H new ATOM 850 N ASP A 54 -4.970 -5.509 -15.919 1.00 0.00 N ATOM 851 CA ASP A 54 -6.358 -5.817 -16.259 1.00 0.00 C ATOM 852 C ASP A 54 -7.068 -6.510 -15.097 1.00 0.00 C ATOM 853 O ASP A 54 -6.439 -6.973 -14.147 1.00 0.00 O ATOM 854 CB ASP A 54 -6.424 -6.714 -17.502 1.00 0.00 C ATOM 855 CG ASP A 54 -5.671 -8.019 -17.250 1.00 0.00 C ATOM 856 OD1 ASP A 54 -4.683 -7.985 -16.538 1.00 0.00 O ATOM 857 OD2 ASP A 54 -6.099 -9.035 -17.774 1.00 0.00 O ATOM 0 H ASP A 54 -4.307 -6.262 -16.103 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.862 -4.873 -16.468 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.464 -6.927 -17.751 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.991 -6.195 -18.357 1.00 0.00 H new ATOM 862 N ALA A 55 -8.396 -6.569 -15.195 1.00 0.00 N ATOM 863 CA ALA A 55 -9.220 -7.197 -14.160 1.00 0.00 C ATOM 864 C ALA A 55 -8.767 -8.630 -13.858 1.00 0.00 C ATOM 865 O ALA A 55 -9.063 -9.167 -12.790 1.00 0.00 O ATOM 866 CB ALA A 55 -10.685 -7.232 -14.602 1.00 0.00 C ATOM 0 H ALA A 55 -8.925 -6.190 -15.980 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.108 -6.598 -13.256 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.288 -7.701 -13.825 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.038 -6.215 -14.771 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.773 -7.805 -15.525 1.00 0.00 H new ATOM 872 N SER A 56 -8.056 -9.249 -14.802 1.00 0.00 N ATOM 873 CA SER A 56 -7.589 -10.623 -14.607 1.00 0.00 C ATOM 874 C SER A 56 -6.202 -10.670 -13.955 1.00 0.00 C ATOM 875 O SER A 56 -5.502 -11.679 -14.043 1.00 0.00 O ATOM 876 CB SER A 56 -7.528 -11.356 -15.947 1.00 0.00 C ATOM 877 OG SER A 56 -7.307 -12.741 -15.714 1.00 0.00 O ATOM 0 H SER A 56 -7.794 -8.830 -15.694 1.00 0.00 H new ATOM 0 HA SER A 56 -8.301 -11.111 -13.941 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.458 -11.212 -16.496 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.727 -10.946 -16.563 1.00 0.00 H new ATOM 0 HG SER A 56 -6.597 -12.851 -15.048 1.00 0.00 H new ATOM 883 N GLY A 57 -5.811 -9.582 -13.290 1.00 0.00 N ATOM 884 CA GLY A 57 -4.512 -9.529 -12.620 1.00 0.00 C ATOM 885 C GLY A 57 -3.361 -9.840 -13.579 1.00 0.00 C ATOM 886 O GLY A 57 -2.278 -10.239 -13.152 1.00 0.00 O ATOM 0 H GLY A 57 -6.370 -8.733 -13.201 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.367 -8.539 -12.188 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.500 -10.242 -11.795 1.00 0.00 H new ATOM 890 N GLU A 58 -3.597 -9.647 -14.875 1.00 0.00 N ATOM 891 CA GLU A 58 -2.557 -9.905 -15.866 1.00 0.00 C ATOM 892 C GLU A 58 -1.610 -8.713 -15.945 1.00 0.00 C ATOM 893 O GLU A 58 -1.949 -7.668 -16.501 1.00 0.00 O ATOM 894 CB GLU A 58 -3.171 -10.152 -17.247 1.00 0.00 C ATOM 895 CG GLU A 58 -2.311 -11.156 -18.017 1.00 0.00 C ATOM 896 CD GLU A 58 -2.806 -12.570 -17.735 1.00 0.00 C ATOM 897 OE1 GLU A 58 -2.589 -13.044 -16.632 1.00 0.00 O ATOM 898 OE2 GLU A 58 -3.394 -13.160 -18.626 1.00 0.00 O ATOM 0 H GLU A 58 -4.483 -9.319 -15.258 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.008 -10.795 -15.559 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.187 -10.533 -17.142 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.237 -9.215 -17.800 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.360 -10.948 -19.086 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.267 -11.059 -17.721 1.00 0.00 H new ATOM 905 N PHE A 59 -0.423 -8.877 -15.369 1.00 0.00 N ATOM 906 CA PHE A 59 0.566 -7.801 -15.371 1.00 0.00 C ATOM 907 C PHE A 59 1.077 -7.536 -16.784 1.00 0.00 C ATOM 908 O PHE A 59 1.269 -8.456 -17.577 1.00 0.00 O ATOM 909 CB PHE A 59 1.758 -8.140 -14.464 1.00 0.00 C ATOM 910 CG PHE A 59 2.260 -9.535 -14.764 1.00 0.00 C ATOM 911 CD1 PHE A 59 3.007 -9.777 -15.923 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.976 -10.586 -13.884 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.469 -11.069 -16.201 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.437 -11.877 -14.162 1.00 0.00 C ATOM 915 CZ PHE A 59 3.184 -12.119 -15.321 1.00 0.00 C ATOM 0 H PHE A 59 -0.124 -9.732 -14.900 1.00 0.00 H new ATOM 0 HA PHE A 59 0.071 -6.908 -14.990 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.559 -7.416 -14.617 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.460 -8.069 -13.418 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.227 -8.967 -16.603 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.400 -10.400 -12.989 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.046 -11.255 -17.095 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.217 -12.687 -13.483 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.540 -13.116 -15.536 1.00 0.00 H new ATOM 925 N GLN A 60 1.296 -6.259 -17.081 1.00 0.00 N ATOM 926 CA GLN A 60 1.791 -5.860 -18.395 1.00 0.00 C ATOM 927 C GLN A 60 3.033 -4.991 -18.236 1.00 0.00 C ATOM 928 O GLN A 60 2.951 -3.764 -18.217 1.00 0.00 O ATOM 929 CB GLN A 60 0.722 -5.071 -19.154 1.00 0.00 C ATOM 930 CG GLN A 60 -0.299 -6.042 -19.754 1.00 0.00 C ATOM 931 CD GLN A 60 0.373 -6.889 -20.829 1.00 0.00 C ATOM 932 OE1 GLN A 60 1.362 -6.471 -21.430 1.00 0.00 O ATOM 933 NE2 GLN A 60 -0.112 -8.068 -21.110 1.00 0.00 N ATOM 0 H GLN A 60 1.140 -5.486 -16.434 1.00 0.00 H new ATOM 0 HA GLN A 60 2.038 -6.760 -18.958 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.224 -4.373 -18.481 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.184 -4.479 -19.944 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.708 -6.684 -18.974 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.135 -5.488 -20.182 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.932 -8.414 -20.612 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.329 -8.643 -21.828 1.00 0.00 H new ATOM 942 N LEU A 61 4.184 -5.646 -18.106 1.00 0.00 N ATOM 943 CA LEU A 61 5.443 -4.929 -17.930 1.00 0.00 C ATOM 944 C LEU A 61 5.905 -4.299 -19.237 1.00 0.00 C ATOM 945 O LEU A 61 6.454 -3.197 -19.247 1.00 0.00 O ATOM 946 CB LEU A 61 6.529 -5.879 -17.424 1.00 0.00 C ATOM 947 CG LEU A 61 6.116 -6.793 -16.267 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.340 -7.559 -15.761 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.540 -5.948 -15.127 1.00 0.00 C ATOM 0 H LEU A 61 4.271 -6.662 -18.119 1.00 0.00 H new ATOM 0 HA LEU A 61 5.272 -4.140 -17.198 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.860 -6.501 -18.256 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.388 -5.287 -17.108 1.00 0.00 H new ATOM 0 HG LEU A 61 5.361 -7.498 -16.615 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.047 -8.210 -14.937 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.752 -8.161 -16.570 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.094 -6.852 -15.414 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.246 -6.599 -14.304 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.295 -5.242 -14.780 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.668 -5.400 -15.485 1.00 0.00 H new ATOM 961 N ASP A 62 5.681 -5.007 -20.345 1.00 0.00 N ATOM 962 CA ASP A 62 6.088 -4.509 -21.665 1.00 0.00 C ATOM 963 C ASP A 62 5.591 -3.082 -21.898 1.00 0.00 C ATOM 964 O ASP A 62 6.209 -2.308 -22.630 1.00 0.00 O ATOM 965 CB ASP A 62 5.537 -5.413 -22.769 1.00 0.00 C ATOM 966 CG ASP A 62 6.192 -5.049 -24.098 1.00 0.00 C ATOM 967 OD1 ASP A 62 7.311 -5.480 -24.322 1.00 0.00 O ATOM 968 OD2 ASP A 62 5.565 -4.345 -24.872 1.00 0.00 O ATOM 0 H ASP A 62 5.224 -5.919 -20.358 1.00 0.00 H new ATOM 0 HA ASP A 62 7.178 -4.513 -21.693 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.732 -6.458 -22.529 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.455 -5.299 -22.841 1.00 0.00 H new ATOM 973 N HIS A 63 4.476 -2.740 -21.261 1.00 0.00 N ATOM 974 CA HIS A 63 3.915 -1.400 -21.402 1.00 0.00 C ATOM 975 C HIS A 63 4.531 -0.466 -20.365 1.00 0.00 C ATOM 976 O HIS A 63 4.740 0.721 -20.620 1.00 0.00 O ATOM 977 CB HIS A 63 2.398 -1.429 -21.211 1.00 0.00 C ATOM 978 CG HIS A 63 1.731 -1.698 -22.531 1.00 0.00 C ATOM 979 ND1 HIS A 63 2.208 -2.649 -23.419 1.00 0.00 N ATOM 980 CD2 HIS A 63 0.623 -1.151 -23.127 1.00 0.00 C ATOM 981 CE1 HIS A 63 1.397 -2.645 -24.493 1.00 0.00 C ATOM 982 NE2 HIS A 63 0.414 -1.749 -24.367 1.00 0.00 N ATOM 0 H HIS A 63 3.948 -3.363 -20.649 1.00 0.00 H new ATOM 0 HA HIS A 63 4.142 -1.039 -22.405 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.126 -2.200 -20.490 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.054 -0.478 -20.805 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.006 -0.374 -22.699 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.525 -3.287 -25.352 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.330 -1.547 -25.035 1.00 0.00 H new ATOM 990 N ILE A 64 4.819 -1.020 -19.191 1.00 0.00 N ATOM 991 CA ILE A 64 5.413 -0.240 -18.109 1.00 0.00 C ATOM 992 C ILE A 64 6.855 0.139 -18.447 1.00 0.00 C ATOM 993 O ILE A 64 7.215 1.317 -18.450 1.00 0.00 O ATOM 994 CB ILE A 64 5.389 -1.041 -16.800 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.949 -1.472 -16.499 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.904 -0.176 -15.645 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.952 -2.681 -15.559 1.00 0.00 C ATOM 0 H ILE A 64 4.652 -2.000 -18.965 1.00 0.00 H new ATOM 0 HA ILE A 64 4.826 0.670 -17.986 1.00 0.00 H new ATOM 0 HB ILE A 64 6.028 -1.917 -16.906 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.401 -0.647 -16.043 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.434 -1.723 -17.426 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.883 -0.753 -14.721 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.927 0.138 -15.854 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.269 0.704 -15.538 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.925 -2.982 -15.350 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.483 -3.508 -16.031 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.450 -2.415 -14.626 1.00 0.00 H new ATOM 1009 N LYS A 65 7.683 -0.873 -18.719 1.00 0.00 N ATOM 1010 CA LYS A 65 9.094 -0.634 -19.043 1.00 0.00 C ATOM 1011 C LYS A 65 9.246 0.405 -20.157 1.00 0.00 C ATOM 1012 O LYS A 65 10.077 1.309 -20.069 1.00 0.00 O ATOM 1013 CB LYS A 65 9.783 -1.938 -19.468 1.00 0.00 C ATOM 1014 CG LYS A 65 9.103 -2.523 -20.708 1.00 0.00 C ATOM 1015 CD LYS A 65 9.482 -4.001 -20.841 1.00 0.00 C ATOM 1016 CE LYS A 65 8.823 -4.817 -19.723 1.00 0.00 C ATOM 1017 NZ LYS A 65 9.788 -5.773 -19.109 1.00 0.00 N ATOM 0 H LYS A 65 7.407 -1.855 -18.722 1.00 0.00 H new ATOM 0 HA LYS A 65 9.570 -0.250 -18.141 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.836 -1.748 -19.678 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.746 -2.659 -18.651 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.021 -2.419 -20.627 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.410 -1.975 -21.599 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.165 -4.379 -21.813 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.565 -4.112 -20.793 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.438 -4.144 -18.957 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.970 -5.365 -20.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.313 -6.310 -18.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.136 -6.430 -19.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.589 -5.247 -18.706 1.00 0.00 H new ATOM 1031 N THR A 66 8.430 0.271 -21.201 1.00 0.00 N ATOM 1032 CA THR A 66 8.482 1.210 -22.324 1.00 0.00 C ATOM 1033 C THR A 66 8.227 2.638 -21.844 1.00 0.00 C ATOM 1034 O THR A 66 8.851 3.588 -22.315 1.00 0.00 O ATOM 1035 CB THR A 66 7.431 0.844 -23.375 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.563 -0.529 -23.716 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.634 1.702 -24.625 1.00 0.00 C ATOM 0 H THR A 66 7.733 -0.468 -21.295 1.00 0.00 H new ATOM 0 HA THR A 66 9.477 1.149 -22.765 1.00 0.00 H new ATOM 0 HB THR A 66 6.435 1.026 -22.970 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.782 -1.023 -23.391 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.885 1.440 -25.372 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.533 2.755 -24.364 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.629 1.523 -25.031 1.00 0.00 H new ATOM 1045 N LYS A 67 7.301 2.775 -20.898 1.00 0.00 N ATOM 1046 CA LYS A 67 6.965 4.090 -20.356 1.00 0.00 C ATOM 1047 C LYS A 67 8.156 4.682 -19.609 1.00 0.00 C ATOM 1048 O LYS A 67 8.556 5.820 -19.855 1.00 0.00 O ATOM 1049 CB LYS A 67 5.779 3.984 -19.395 1.00 0.00 C ATOM 1050 CG LYS A 67 4.484 3.816 -20.196 1.00 0.00 C ATOM 1051 CD LYS A 67 3.821 5.181 -20.391 1.00 0.00 C ATOM 1052 CE LYS A 67 2.374 4.984 -20.848 1.00 0.00 C ATOM 1053 NZ LYS A 67 2.285 4.859 -22.330 1.00 0.00 N ATOM 0 H LYS A 67 6.774 2.001 -20.494 1.00 0.00 H new ATOM 0 HA LYS A 67 6.702 4.739 -21.191 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.916 3.136 -18.724 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.721 4.877 -18.773 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.699 3.363 -21.164 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.806 3.142 -19.673 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.846 5.746 -19.459 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.371 5.762 -21.131 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.962 4.090 -20.380 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.768 5.826 -20.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.292 4.727 -22.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.657 5.723 -22.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.844 4.040 -22.644 1.00 0.00 H new ATOM 1067 N PHE A 68 8.717 3.899 -18.692 1.00 0.00 N ATOM 1068 CA PHE A 68 9.863 4.355 -17.912 1.00 0.00 C ATOM 1069 C PHE A 68 11.089 4.549 -18.804 1.00 0.00 C ATOM 1070 O PHE A 68 11.994 5.310 -18.473 1.00 0.00 O ATOM 1071 CB PHE A 68 10.200 3.344 -16.816 1.00 0.00 C ATOM 1072 CG PHE A 68 9.282 3.558 -15.636 1.00 0.00 C ATOM 1073 CD1 PHE A 68 8.036 2.919 -15.593 1.00 0.00 C ATOM 1074 CD2 PHE A 68 9.674 4.395 -14.585 1.00 0.00 C ATOM 1075 CE1 PHE A 68 7.185 3.117 -14.500 1.00 0.00 C ATOM 1076 CE2 PHE A 68 8.823 4.593 -13.492 1.00 0.00 C ATOM 1077 CZ PHE A 68 7.579 3.954 -13.449 1.00 0.00 C ATOM 0 H PHE A 68 8.401 2.955 -18.472 1.00 0.00 H new ATOM 0 HA PHE A 68 9.595 5.310 -17.460 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.090 2.329 -17.197 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.239 3.458 -16.508 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.732 2.273 -16.404 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.634 4.888 -14.618 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.224 2.624 -14.467 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.126 5.239 -12.682 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.923 4.106 -12.605 1.00 0.00 H new ATOM 1087 N LYS A 69 11.114 3.849 -19.938 1.00 0.00 N ATOM 1088 CA LYS A 69 12.241 3.961 -20.860 1.00 0.00 C ATOM 1089 C LYS A 69 12.202 5.295 -21.599 1.00 0.00 C ATOM 1090 O LYS A 69 13.067 6.151 -21.412 1.00 0.00 O ATOM 1091 CB LYS A 69 12.208 2.824 -21.883 1.00 0.00 C ATOM 1092 CG LYS A 69 12.914 1.596 -21.306 1.00 0.00 C ATOM 1093 CD LYS A 69 14.397 1.635 -21.681 1.00 0.00 C ATOM 1094 CE LYS A 69 15.162 0.609 -20.844 1.00 0.00 C ATOM 1095 NZ LYS A 69 15.096 -0.749 -21.456 1.00 0.00 N ATOM 0 H LYS A 69 10.379 3.208 -20.236 1.00 0.00 H new ATOM 0 HA LYS A 69 13.159 3.900 -20.275 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.177 2.578 -22.136 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.696 3.137 -22.806 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.803 1.576 -20.222 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.455 0.685 -21.691 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.520 1.419 -22.742 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.800 2.633 -21.510 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.203 0.917 -20.750 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.747 0.577 -19.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.624 -1.422 -20.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.103 -1.052 -21.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.514 -0.722 -22.408 1.00 0.00 H new ATOM 1109 N GLU A 70 11.186 5.459 -22.447 1.00 0.00 N ATOM 1110 CA GLU A 70 11.030 6.689 -23.230 1.00 0.00 C ATOM 1111 C GLU A 70 11.085 7.933 -22.340 1.00 0.00 C ATOM 1112 O GLU A 70 10.103 8.300 -21.695 1.00 0.00 O ATOM 1113 CB GLU A 70 9.694 6.675 -23.980 1.00 0.00 C ATOM 1114 CG GLU A 70 8.547 6.374 -23.001 1.00 0.00 C ATOM 1115 CD GLU A 70 7.691 7.622 -22.805 1.00 0.00 C ATOM 1116 OE1 GLU A 70 7.336 8.236 -23.798 1.00 0.00 O ATOM 1117 OE2 GLU A 70 7.403 7.946 -21.665 1.00 0.00 O ATOM 0 H GLU A 70 10.461 4.760 -22.610 1.00 0.00 H new ATOM 0 HA GLU A 70 11.857 6.729 -23.939 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.528 7.638 -24.463 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.718 5.923 -24.768 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.934 5.559 -23.385 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.951 6.045 -22.043 1.00 0.00 H new ATOM 1124 N ASN A 71 12.248 8.582 -22.325 1.00 0.00 N ATOM 1125 CA ASN A 71 12.436 9.794 -21.527 1.00 0.00 C ATOM 1126 C ASN A 71 12.150 9.531 -20.051 1.00 0.00 C ATOM 1127 O ASN A 71 10.998 9.390 -19.641 1.00 0.00 O ATOM 1128 CB ASN A 71 11.507 10.905 -22.021 1.00 0.00 C ATOM 1129 CG ASN A 71 12.135 12.262 -21.725 1.00 0.00 C ATOM 1130 OD1 ASN A 71 12.787 12.853 -22.586 1.00 0.00 O ATOM 1131 ND2 ASN A 71 11.976 12.797 -20.545 1.00 0.00 N ATOM 0 H ASN A 71 13.071 8.291 -22.853 1.00 0.00 H new ATOM 0 HA ASN A 71 13.475 10.103 -21.638 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.333 10.799 -23.092 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.537 10.827 -21.531 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.392 13.705 -20.336 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.436 12.307 -19.832 1.00 0.00 H new ATOM 1138 N SER A 72 13.215 9.476 -19.255 1.00 0.00 N ATOM 1139 CA SER A 72 13.074 9.240 -17.821 1.00 0.00 C ATOM 1140 C SER A 72 14.357 9.627 -17.089 1.00 0.00 C ATOM 1141 O SER A 72 14.804 8.938 -16.172 1.00 0.00 O ATOM 1142 CB SER A 72 12.763 7.768 -17.548 1.00 0.00 C ATOM 1143 OG SER A 72 11.357 7.565 -17.615 1.00 0.00 O ATOM 0 H SER A 72 14.177 9.590 -19.575 1.00 0.00 H new ATOM 0 HA SER A 72 12.251 9.855 -17.457 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.269 7.136 -18.278 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.137 7.481 -16.565 1.00 0.00 H new ATOM 0 HG SER A 72 11.160 6.850 -18.256 1.00 0.00 H new ATOM 1149 N GLU A 73 14.943 10.749 -17.509 1.00 0.00 N ATOM 1150 CA GLU A 73 16.180 11.247 -16.897 1.00 0.00 C ATOM 1151 C GLU A 73 17.359 10.346 -17.254 1.00 0.00 C ATOM 1152 O GLU A 73 18.287 10.763 -17.947 1.00 0.00 O ATOM 1153 CB GLU A 73 16.058 11.330 -15.370 1.00 0.00 C ATOM 1154 CG GLU A 73 14.758 12.047 -14.994 1.00 0.00 C ATOM 1155 CD GLU A 73 14.886 12.631 -13.592 1.00 0.00 C ATOM 1156 OE1 GLU A 73 15.941 13.161 -13.285 1.00 0.00 O ATOM 1157 OE2 GLU A 73 13.925 12.542 -12.844 1.00 0.00 O ATOM 0 H GLU A 73 14.584 11.330 -18.267 1.00 0.00 H new ATOM 0 HA GLU A 73 16.352 12.249 -17.291 1.00 0.00 H new ATOM 0 HB2 GLU A 73 16.070 10.329 -14.940 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.913 11.865 -14.956 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.547 12.840 -15.712 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.921 11.350 -15.034 1.00 0.00 H new ATOM 1164 N HIS A 74 17.320 9.106 -16.770 1.00 0.00 N ATOM 1165 CA HIS A 74 18.401 8.162 -17.047 1.00 0.00 C ATOM 1166 C HIS A 74 17.871 6.721 -17.106 1.00 0.00 C ATOM 1167 O HIS A 74 18.297 5.858 -16.336 1.00 0.00 O ATOM 1168 CB HIS A 74 19.483 8.263 -15.966 1.00 0.00 C ATOM 1169 CG HIS A 74 20.030 9.663 -15.933 1.00 0.00 C ATOM 1170 ND1 HIS A 74 20.836 10.166 -16.943 1.00 0.00 N ATOM 1171 CD2 HIS A 74 19.900 10.679 -15.019 1.00 0.00 C ATOM 1172 CE1 HIS A 74 21.155 11.431 -16.615 1.00 0.00 C ATOM 1173 NE2 HIS A 74 20.610 11.794 -15.452 1.00 0.00 N ATOM 0 H HIS A 74 16.565 8.736 -16.193 1.00 0.00 H new ATOM 0 HA HIS A 74 18.829 8.418 -18.016 1.00 0.00 H new ATOM 0 HB2 HIS A 74 19.066 8.001 -14.994 1.00 0.00 H new ATOM 0 HB3 HIS A 74 20.284 7.553 -16.171 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.332 10.621 -14.102 1.00 0.00 H new ATOM 0 HE1 HIS A 74 21.777 12.075 -17.219 1.00 0.00 H new ATOM 0 HE2 HIS A 74 20.696 12.695 -14.982 1.00 0.00 H new ATOM 1181 N PRO A 75 16.938 6.441 -18.026 1.00 0.00 N ATOM 1182 CA PRO A 75 16.367 5.095 -18.176 1.00 0.00 C ATOM 1183 C PRO A 75 17.315 4.148 -18.907 1.00 0.00 C ATOM 1184 O PRO A 75 17.947 4.522 -19.894 1.00 0.00 O ATOM 1185 CB PRO A 75 15.109 5.321 -19.006 1.00 0.00 C ATOM 1186 CG PRO A 75 15.359 6.576 -19.774 1.00 0.00 C ATOM 1187 CD PRO A 75 16.354 7.390 -18.992 1.00 0.00 C ATOM 0 HA PRO A 75 16.174 4.630 -17.209 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.924 4.481 -19.676 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.230 5.419 -18.368 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.746 6.348 -20.767 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.432 7.132 -19.913 1.00 0.00 H new ATOM 0 HD2 PRO A 75 17.119 7.813 -19.643 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.871 8.225 -18.484 1.00 0.00 H new ATOM 1195 N GLU A 76 17.409 2.914 -18.413 1.00 0.00 N ATOM 1196 CA GLU A 76 18.286 1.924 -19.036 1.00 0.00 C ATOM 1197 C GLU A 76 18.221 0.592 -18.293 1.00 0.00 C ATOM 1198 O GLU A 76 18.269 -0.476 -18.905 1.00 0.00 O ATOM 1199 CB GLU A 76 19.737 2.414 -19.041 1.00 0.00 C ATOM 1200 CG GLU A 76 20.157 2.782 -17.616 1.00 0.00 C ATOM 1201 CD GLU A 76 21.383 3.688 -17.665 1.00 0.00 C ATOM 1202 OE1 GLU A 76 21.264 4.784 -18.186 1.00 0.00 O ATOM 1203 OE2 GLU A 76 22.422 3.272 -17.182 1.00 0.00 O ATOM 0 H GLU A 76 16.898 2.580 -17.596 1.00 0.00 H new ATOM 0 HA GLU A 76 17.942 1.784 -20.061 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.393 1.638 -19.436 1.00 0.00 H new ATOM 0 HB3 GLU A 76 19.837 3.279 -19.696 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.339 3.287 -17.103 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.381 1.880 -17.047 1.00 0.00 H new ATOM 1210 N LYS A 77 18.122 0.662 -16.968 1.00 0.00 N ATOM 1211 CA LYS A 77 18.065 -0.552 -16.157 1.00 0.00 C ATOM 1212 C LYS A 77 16.638 -0.865 -15.692 1.00 0.00 C ATOM 1213 O LYS A 77 16.426 -1.807 -14.927 1.00 0.00 O ATOM 1214 CB LYS A 77 18.962 -0.408 -14.925 1.00 0.00 C ATOM 1215 CG LYS A 77 20.428 -0.373 -15.361 1.00 0.00 C ATOM 1216 CD LYS A 77 21.211 0.573 -14.447 1.00 0.00 C ATOM 1217 CE LYS A 77 21.684 -0.191 -13.209 1.00 0.00 C ATOM 1218 NZ LYS A 77 22.675 0.604 -12.428 1.00 0.00 N ATOM 0 H LYS A 77 18.080 1.533 -16.439 1.00 0.00 H new ATOM 0 HA LYS A 77 18.413 -1.372 -16.786 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.711 0.504 -14.384 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.795 -1.240 -14.241 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.855 -1.375 -15.317 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.503 -0.040 -16.396 1.00 0.00 H new ATOM 0 HD2 LYS A 77 22.066 0.987 -14.981 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.583 1.413 -14.151 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.828 -0.431 -12.578 1.00 0.00 H new ATOM 0 HE3 LYS A 77 22.132 -1.138 -13.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.977 0.060 -11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 23.501 0.811 -13.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.239 1.496 -12.119 1.00 0.00 H new ATOM 1232 N VAL A 78 15.657 -0.083 -16.151 1.00 0.00 N ATOM 1233 CA VAL A 78 14.270 -0.323 -15.753 1.00 0.00 C ATOM 1234 C VAL A 78 13.813 -1.707 -16.216 1.00 0.00 C ATOM 1235 O VAL A 78 12.972 -2.338 -15.579 1.00 0.00 O ATOM 1236 CB VAL A 78 13.340 0.747 -16.343 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.903 0.516 -15.856 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.802 2.132 -15.887 1.00 0.00 C ATOM 0 H VAL A 78 15.793 0.705 -16.785 1.00 0.00 H new ATOM 0 HA VAL A 78 14.220 -0.273 -14.665 1.00 0.00 H new ATOM 0 HB VAL A 78 13.371 0.684 -17.431 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.249 1.279 -16.278 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.565 -0.470 -16.175 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.874 0.575 -14.768 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.142 2.892 -16.306 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.772 2.185 -14.799 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.821 2.307 -16.231 1.00 0.00 H new ATOM 1248 N ASP A 79 14.372 -2.175 -17.334 1.00 0.00 N ATOM 1249 CA ASP A 79 14.002 -3.494 -17.873 1.00 0.00 C ATOM 1250 C ASP A 79 14.099 -4.581 -16.797 1.00 0.00 C ATOM 1251 O ASP A 79 13.110 -5.239 -16.476 1.00 0.00 O ATOM 1252 CB ASP A 79 14.883 -3.884 -19.075 1.00 0.00 C ATOM 1253 CG ASP A 79 16.337 -3.477 -18.840 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.583 -2.293 -18.684 1.00 0.00 O ATOM 1255 OD2 ASP A 79 17.183 -4.357 -18.821 1.00 0.00 O ATOM 0 H ASP A 79 15.072 -1.673 -17.880 1.00 0.00 H new ATOM 0 HA ASP A 79 12.968 -3.416 -18.209 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.824 -4.960 -19.240 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.508 -3.402 -19.978 1.00 0.00 H new ATOM 1260 N ASP A 80 15.293 -4.754 -16.233 1.00 0.00 N ATOM 1261 CA ASP A 80 15.489 -5.754 -15.186 1.00 0.00 C ATOM 1262 C ASP A 80 14.769 -5.329 -13.909 1.00 0.00 C ATOM 1263 O ASP A 80 14.308 -6.163 -13.131 1.00 0.00 O ATOM 1264 CB ASP A 80 16.978 -5.927 -14.884 1.00 0.00 C ATOM 1265 CG ASP A 80 17.198 -7.235 -14.131 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.248 -8.267 -14.778 1.00 0.00 O ATOM 1267 OD2 ASP A 80 17.311 -7.184 -12.917 1.00 0.00 O ATOM 0 H ASP A 80 16.128 -4.223 -16.479 1.00 0.00 H new ATOM 0 HA ASP A 80 15.079 -6.700 -15.540 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.550 -5.929 -15.812 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.339 -5.088 -14.289 1.00 0.00 H new ATOM 1272 N LEU A 81 14.683 -4.016 -13.706 1.00 0.00 N ATOM 1273 CA LEU A 81 14.023 -3.470 -12.523 1.00 0.00 C ATOM 1274 C LEU A 81 12.543 -3.847 -12.505 1.00 0.00 C ATOM 1275 O LEU A 81 12.014 -4.290 -11.487 1.00 0.00 O ATOM 1276 CB LEU A 81 14.148 -1.946 -12.513 1.00 0.00 C ATOM 1277 CG LEU A 81 13.966 -1.275 -11.148 1.00 0.00 C ATOM 1278 CD1 LEU A 81 14.848 -0.025 -11.066 1.00 0.00 C ATOM 1279 CD2 LEU A 81 12.497 -0.879 -10.971 1.00 0.00 C ATOM 0 H LEU A 81 15.060 -3.314 -14.342 1.00 0.00 H new ATOM 0 HA LEU A 81 14.508 -3.889 -11.641 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.130 -1.678 -12.901 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.410 -1.534 -13.201 1.00 0.00 H new ATOM 0 HG LEU A 81 14.255 -1.970 -10.360 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.716 0.450 -10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 81 15.893 -0.308 -11.193 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.563 0.674 -11.853 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.363 -0.401 -10.001 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.210 -0.184 -11.760 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.871 -1.770 -11.026 1.00 0.00 H new ATOM 1291 N VAL A 82 11.882 -3.661 -13.644 1.00 0.00 N ATOM 1292 CA VAL A 82 10.460 -3.977 -13.756 1.00 0.00 C ATOM 1293 C VAL A 82 10.215 -5.461 -13.484 1.00 0.00 C ATOM 1294 O VAL A 82 9.230 -5.835 -12.849 1.00 0.00 O ATOM 1295 CB VAL A 82 9.952 -3.622 -15.162 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.441 -3.873 -15.255 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.240 -2.142 -15.449 1.00 0.00 C ATOM 0 H VAL A 82 12.304 -3.296 -14.498 1.00 0.00 H new ATOM 0 HA VAL A 82 9.919 -3.389 -13.015 1.00 0.00 H new ATOM 0 HB VAL A 82 10.464 -4.247 -15.894 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.091 -3.618 -16.255 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.234 -4.924 -15.055 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.924 -3.255 -14.521 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.880 -1.888 -16.446 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.731 -1.522 -14.711 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.314 -1.963 -15.394 1.00 0.00 H new ATOM 1307 N ALA A 83 11.118 -6.300 -13.978 1.00 0.00 N ATOM 1308 CA ALA A 83 10.988 -7.742 -13.789 1.00 0.00 C ATOM 1309 C ALA A 83 11.001 -8.104 -12.304 1.00 0.00 C ATOM 1310 O ALA A 83 10.072 -8.735 -11.799 1.00 0.00 O ATOM 1311 CB ALA A 83 12.137 -8.475 -14.485 1.00 0.00 C ATOM 0 H ALA A 83 11.941 -6.012 -14.508 1.00 0.00 H new ATOM 0 HA ALA A 83 10.036 -8.047 -14.224 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.027 -9.549 -14.336 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.117 -8.253 -15.552 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.087 -8.146 -14.064 1.00 0.00 H new ATOM 1317 N LYS A 84 12.072 -7.714 -11.621 1.00 0.00 N ATOM 1318 CA LYS A 84 12.218 -8.016 -10.195 1.00 0.00 C ATOM 1319 C LYS A 84 11.269 -7.184 -9.330 1.00 0.00 C ATOM 1320 O LYS A 84 10.975 -7.552 -8.192 1.00 0.00 O ATOM 1321 CB LYS A 84 13.655 -7.750 -9.745 1.00 0.00 C ATOM 1322 CG LYS A 84 13.903 -8.422 -8.393 1.00 0.00 C ATOM 1323 CD LYS A 84 14.847 -7.556 -7.555 1.00 0.00 C ATOM 1324 CE LYS A 84 16.292 -7.799 -7.996 1.00 0.00 C ATOM 1325 NZ LYS A 84 16.945 -8.848 -7.161 1.00 0.00 N ATOM 0 H LYS A 84 12.849 -7.191 -12.025 1.00 0.00 H new ATOM 0 HA LYS A 84 11.967 -9.069 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.356 -8.133 -10.487 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.829 -6.677 -9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.959 -8.563 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.336 -9.411 -8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.592 -6.503 -7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.734 -7.795 -6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.309 -8.102 -9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.857 -6.870 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.923 -8.990 -7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.950 -8.546 -6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.418 -9.740 -7.250 1.00 0.00 H new ATOM 1339 N CYS A 85 10.799 -6.056 -9.860 1.00 0.00 N ATOM 1340 CA CYS A 85 9.898 -5.193 -9.094 1.00 0.00 C ATOM 1341 C CYS A 85 8.443 -5.603 -9.294 1.00 0.00 C ATOM 1342 O CYS A 85 7.695 -5.771 -8.331 1.00 0.00 O ATOM 1343 CB CYS A 85 10.061 -3.732 -9.513 1.00 0.00 C ATOM 1344 SG CYS A 85 11.617 -3.083 -8.853 1.00 0.00 S ATOM 0 H CYS A 85 11.021 -5.722 -10.798 1.00 0.00 H new ATOM 0 HA CYS A 85 10.161 -5.303 -8.042 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.053 -3.652 -10.600 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.223 -3.141 -9.144 1.00 0.00 H new ATOM 1349 N ALA A 86 8.045 -5.755 -10.555 1.00 0.00 N ATOM 1350 CA ALA A 86 6.668 -6.138 -10.876 1.00 0.00 C ATOM 1351 C ALA A 86 6.477 -7.662 -10.878 1.00 0.00 C ATOM 1352 O ALA A 86 5.703 -8.196 -11.674 1.00 0.00 O ATOM 1353 CB ALA A 86 6.275 -5.587 -12.248 1.00 0.00 C ATOM 0 H ALA A 86 8.649 -5.621 -11.366 1.00 0.00 H new ATOM 0 HA ALA A 86 6.030 -5.715 -10.100 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.250 -5.878 -12.477 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.351 -4.500 -12.239 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.944 -5.991 -13.008 1.00 0.00 H new ATOM 1359 N VAL A 87 7.173 -8.361 -9.981 1.00 0.00 N ATOM 1360 CA VAL A 87 7.051 -9.815 -9.899 1.00 0.00 C ATOM 1361 C VAL A 87 5.604 -10.202 -9.580 1.00 0.00 C ATOM 1362 O VAL A 87 4.912 -9.510 -8.836 1.00 0.00 O ATOM 1363 CB VAL A 87 8.001 -10.355 -8.816 1.00 0.00 C ATOM 1364 CG1 VAL A 87 7.671 -9.712 -7.468 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.884 -11.884 -8.708 1.00 0.00 C ATOM 0 H VAL A 87 7.820 -7.949 -9.308 1.00 0.00 H new ATOM 0 HA VAL A 87 7.324 -10.254 -10.859 1.00 0.00 H new ATOM 0 HB VAL A 87 9.024 -10.104 -9.095 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.347 -10.098 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.788 -8.631 -7.542 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.643 -9.948 -7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.563 -12.247 -7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.861 -12.153 -8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.145 -12.337 -9.664 1.00 0.00 H new ATOM 1375 N LYS A 88 5.160 -11.313 -10.163 1.00 0.00 N ATOM 1376 CA LYS A 88 3.794 -11.790 -9.947 1.00 0.00 C ATOM 1377 C LYS A 88 3.619 -12.324 -8.525 1.00 0.00 C ATOM 1378 O LYS A 88 4.390 -13.165 -8.064 1.00 0.00 O ATOM 1379 CB LYS A 88 3.452 -12.905 -10.940 1.00 0.00 C ATOM 1380 CG LYS A 88 4.544 -13.982 -10.919 1.00 0.00 C ATOM 1381 CD LYS A 88 3.903 -15.372 -10.871 1.00 0.00 C ATOM 1382 CE LYS A 88 3.292 -15.605 -9.489 1.00 0.00 C ATOM 1383 NZ LYS A 88 2.931 -17.036 -9.287 1.00 0.00 N ATOM 0 H LYS A 88 5.720 -11.897 -10.784 1.00 0.00 H new ATOM 0 HA LYS A 88 3.123 -10.944 -10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.489 -13.347 -10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.357 -12.492 -11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.173 -13.892 -11.805 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.191 -13.840 -10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.134 -15.456 -11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.651 -16.136 -11.083 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.000 -15.295 -8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.403 -14.984 -9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.519 -17.160 -8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.237 -17.324 -10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.784 -17.625 -9.373 1.00 0.00 H new ATOM 1397 N LYS A 89 2.588 -11.827 -7.843 1.00 0.00 N ATOM 1398 CA LYS A 89 2.303 -12.262 -6.475 1.00 0.00 C ATOM 1399 C LYS A 89 1.012 -13.075 -6.428 1.00 0.00 C ATOM 1400 O LYS A 89 0.403 -13.358 -7.460 1.00 0.00 O ATOM 1401 CB LYS A 89 2.171 -11.053 -5.539 1.00 0.00 C ATOM 1402 CG LYS A 89 3.532 -10.728 -4.905 1.00 0.00 C ATOM 1403 CD LYS A 89 4.555 -10.381 -5.995 1.00 0.00 C ATOM 1404 CE LYS A 89 5.564 -11.525 -6.142 1.00 0.00 C ATOM 1405 NZ LYS A 89 6.657 -11.419 -5.134 1.00 0.00 N ATOM 0 H LYS A 89 1.941 -11.129 -8.210 1.00 0.00 H new ATOM 0 HA LYS A 89 3.134 -12.885 -6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.805 -10.190 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.439 -11.264 -4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.429 -9.892 -4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.884 -11.581 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.046 -10.209 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.074 -9.457 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.052 -12.481 -6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.990 -11.510 -7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.495 -11.931 -5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.898 -10.418 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.341 -11.834 -4.234 1.00 0.00 H new ATOM 1419 N ASP A 90 0.605 -13.450 -5.218 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.616 -14.233 -5.041 1.00 0.00 C ATOM 1421 C ASP A 90 -1.850 -13.440 -5.474 1.00 0.00 C ATOM 1422 O ASP A 90 -2.900 -14.016 -5.757 1.00 0.00 O ATOM 1423 CB ASP A 90 -0.778 -14.648 -3.577 1.00 0.00 C ATOM 1424 CG ASP A 90 -0.704 -13.413 -2.687 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -1.565 -12.562 -2.816 1.00 0.00 O ATOM 1426 OD2 ASP A 90 0.215 -13.339 -1.886 1.00 0.00 O ATOM 0 H ASP A 90 1.097 -13.227 -4.353 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.529 -15.121 -5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.733 -15.155 -3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.003 -15.356 -3.300 1.00 0.00 H new ATOM 1431 N THR A 91 -1.721 -12.112 -5.524 1.00 0.00 N ATOM 1432 CA THR A 91 -2.840 -11.268 -5.929 1.00 0.00 C ATOM 1433 C THR A 91 -2.336 -10.063 -6.724 1.00 0.00 C ATOM 1434 O THR A 91 -1.205 -9.616 -6.534 1.00 0.00 O ATOM 1435 CB THR A 91 -3.611 -10.772 -4.703 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.699 -10.510 -3.647 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.613 -11.840 -4.261 1.00 0.00 C ATOM 0 H THR A 91 -0.866 -11.607 -5.292 1.00 0.00 H new ATOM 0 HA THR A 91 -3.504 -11.865 -6.554 1.00 0.00 H new ATOM 0 HB THR A 91 -4.147 -9.857 -4.956 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.637 -11.296 -3.065 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.161 -11.486 -3.388 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.313 -12.040 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.080 -12.756 -4.007 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.164 -9.525 -7.628 1.00 0.00 N ATOM 1446 CA PRO A 92 -2.782 -8.367 -8.452 1.00 0.00 C ATOM 1447 C PRO A 92 -2.699 -7.076 -7.643 1.00 0.00 C ATOM 1448 O PRO A 92 -1.729 -6.326 -7.743 1.00 0.00 O ATOM 1449 CB PRO A 92 -3.894 -8.274 -9.494 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.073 -8.926 -8.859 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.535 -9.977 -7.934 1.00 0.00 C ATOM 0 HA PRO A 92 -1.790 -8.495 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.108 -7.237 -9.751 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.613 -8.780 -10.417 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.671 -8.197 -8.312 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.723 -9.370 -9.613 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.138 -10.058 -7.030 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.534 -10.960 -8.406 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.730 -6.823 -6.840 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.766 -5.616 -6.016 1.00 0.00 C ATOM 1461 C GLN A 93 -2.547 -5.537 -5.092 1.00 0.00 C ATOM 1462 O GLN A 93 -2.177 -4.459 -4.630 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.044 -5.576 -5.172 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.120 -6.824 -4.289 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.573 -7.268 -4.155 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -7.470 -6.439 -3.996 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -6.863 -8.540 -4.209 1.00 0.00 N ATOM 0 H GLN A 93 -4.544 -7.430 -6.742 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.750 -4.761 -6.691 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.054 -4.679 -4.552 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.918 -5.524 -5.821 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.523 -7.626 -4.723 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.702 -6.612 -3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.121 -9.227 -4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.832 -8.846 -4.120 1.00 0.00 H new ATOM 1476 N HIS A 94 -1.924 -6.687 -4.831 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.749 -6.721 -3.967 1.00 0.00 C ATOM 1478 C HIS A 94 0.461 -6.150 -4.701 1.00 0.00 C ATOM 1479 O HIS A 94 1.086 -5.192 -4.247 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.441 -8.158 -3.539 1.00 0.00 C ATOM 1481 CG HIS A 94 0.234 -8.147 -2.195 1.00 0.00 C ATOM 1482 ND1 HIS A 94 -0.303 -8.795 -1.094 1.00 0.00 N ATOM 1483 CD2 HIS A 94 1.402 -7.573 -1.759 1.00 0.00 C ATOM 1484 CE1 HIS A 94 0.534 -8.598 -0.059 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.590 -7.859 -0.410 1.00 0.00 N ATOM 0 H HIS A 94 -2.210 -7.594 -5.201 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.959 -6.118 -3.083 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.362 -8.740 -3.491 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.202 -8.639 -4.277 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.073 -6.988 -2.370 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.372 -8.990 0.934 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.367 -7.567 0.183 1.00 0.00 H new ATOM 1493 N SER A 95 0.777 -6.750 -5.851 1.00 0.00 N ATOM 1494 CA SER A 95 1.912 -6.306 -6.669 1.00 0.00 C ATOM 1495 C SER A 95 1.903 -4.788 -6.868 1.00 0.00 C ATOM 1496 O SER A 95 2.950 -4.165 -7.049 1.00 0.00 O ATOM 1497 CB SER A 95 1.869 -6.980 -8.041 1.00 0.00 C ATOM 1498 OG SER A 95 0.613 -6.719 -8.652 1.00 0.00 O ATOM 0 H SER A 95 0.265 -7.543 -6.238 1.00 0.00 H new ATOM 0 HA SER A 95 2.822 -6.586 -6.139 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.677 -6.605 -8.669 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.019 -8.054 -7.936 1.00 0.00 H new ATOM 0 HG SER A 95 -0.108 -6.982 -8.043 1.00 0.00 H new ATOM 1504 N SER A 96 0.705 -4.202 -6.836 1.00 0.00 N ATOM 1505 CA SER A 96 0.557 -2.756 -7.020 1.00 0.00 C ATOM 1506 C SER A 96 1.420 -1.977 -6.027 1.00 0.00 C ATOM 1507 O SER A 96 2.023 -0.963 -6.375 1.00 0.00 O ATOM 1508 CB SER A 96 -0.903 -2.345 -6.833 1.00 0.00 C ATOM 1509 OG SER A 96 -1.095 -1.042 -7.368 1.00 0.00 O ATOM 0 H SER A 96 -0.172 -4.701 -6.686 1.00 0.00 H new ATOM 0 HA SER A 96 0.884 -2.521 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.560 -3.057 -7.333 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.164 -2.359 -5.775 1.00 0.00 H new ATOM 0 HG SER A 96 -1.498 -1.110 -8.259 1.00 0.00 H new ATOM 1515 N ALA A 97 1.472 -2.463 -4.787 1.00 0.00 N ATOM 1516 CA ALA A 97 2.266 -1.800 -3.750 1.00 0.00 C ATOM 1517 C ALA A 97 3.729 -1.701 -4.173 1.00 0.00 C ATOM 1518 O ALA A 97 4.252 -0.610 -4.397 1.00 0.00 O ATOM 1519 CB ALA A 97 2.179 -2.572 -2.433 1.00 0.00 C ATOM 0 H ALA A 97 0.981 -3.302 -4.478 1.00 0.00 H new ATOM 0 HA ALA A 97 1.862 -0.797 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.775 -2.065 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.140 -2.619 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.560 -3.583 -2.578 1.00 0.00 H new ATOM 1525 N ASP A 98 4.381 -2.856 -4.289 1.00 0.00 N ATOM 1526 CA ASP A 98 5.785 -2.891 -4.697 1.00 0.00 C ATOM 1527 C ASP A 98 5.949 -2.270 -6.082 1.00 0.00 C ATOM 1528 O ASP A 98 6.978 -1.673 -6.396 1.00 0.00 O ATOM 1529 CB ASP A 98 6.297 -4.332 -4.732 1.00 0.00 C ATOM 1530 CG ASP A 98 6.026 -5.001 -3.389 1.00 0.00 C ATOM 1531 OD1 ASP A 98 6.492 -4.482 -2.386 1.00 0.00 O ATOM 1532 OD2 ASP A 98 5.357 -6.020 -3.381 1.00 0.00 O ATOM 0 H ASP A 98 3.966 -3.770 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 98 6.363 -2.320 -3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.804 -4.885 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.365 -4.344 -4.947 1.00 0.00 H new ATOM 1537 N PHE A 99 4.914 -2.416 -6.905 1.00 0.00 N ATOM 1538 CA PHE A 99 4.937 -1.865 -8.257 1.00 0.00 C ATOM 1539 C PHE A 99 4.995 -0.338 -8.206 1.00 0.00 C ATOM 1540 O PHE A 99 5.576 0.305 -9.080 1.00 0.00 O ATOM 1541 CB PHE A 99 3.682 -2.306 -9.022 1.00 0.00 C ATOM 1542 CG PHE A 99 3.732 -1.797 -10.444 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.842 -2.074 -11.249 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.666 -1.046 -10.953 1.00 0.00 C ATOM 1545 CE1 PHE A 99 4.886 -1.601 -12.566 1.00 0.00 C ATOM 1546 CE2 PHE A 99 2.710 -0.572 -12.269 1.00 0.00 C ATOM 1547 CZ PHE A 99 3.820 -0.849 -13.076 1.00 0.00 C ATOM 0 H PHE A 99 4.054 -2.908 -6.662 1.00 0.00 H new ATOM 0 HA PHE A 99 5.824 -2.237 -8.770 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.609 -3.394 -9.020 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.791 -1.926 -8.523 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.665 -2.652 -10.855 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.810 -0.832 -10.330 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.742 -1.816 -13.189 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.888 0.007 -12.662 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.854 -0.483 -14.091 1.00 0.00 H new ATOM 1557 N PHE A 100 4.380 0.234 -7.174 1.00 0.00 N ATOM 1558 CA PHE A 100 4.359 1.687 -7.022 1.00 0.00 C ATOM 1559 C PHE A 100 5.310 2.126 -5.912 1.00 0.00 C ATOM 1560 O PHE A 100 5.049 3.091 -5.194 1.00 0.00 O ATOM 1561 CB PHE A 100 2.945 2.165 -6.688 1.00 0.00 C ATOM 1562 CG PHE A 100 2.869 3.665 -6.845 1.00 0.00 C ATOM 1563 CD1 PHE A 100 3.204 4.257 -8.068 1.00 0.00 C ATOM 1564 CD2 PHE A 100 2.464 4.462 -5.768 1.00 0.00 C ATOM 1565 CE1 PHE A 100 3.133 5.648 -8.215 1.00 0.00 C ATOM 1566 CE2 PHE A 100 2.392 5.852 -5.914 1.00 0.00 C ATOM 1567 CZ PHE A 100 2.727 6.445 -7.138 1.00 0.00 C ATOM 0 H PHE A 100 3.895 -0.279 -6.438 1.00 0.00 H new ATOM 0 HA PHE A 100 4.681 2.129 -7.965 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.222 1.683 -7.346 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.686 1.882 -5.668 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.517 3.641 -8.898 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.207 4.004 -4.824 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.391 6.106 -9.159 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.078 6.467 -5.083 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.672 7.518 -7.251 1.00 0.00 H new ATOM 1577 N LYS A 101 6.420 1.407 -5.784 1.00 0.00 N ATOM 1578 CA LYS A 101 7.413 1.728 -4.763 1.00 0.00 C ATOM 1579 C LYS A 101 8.785 1.220 -5.194 1.00 0.00 C ATOM 1580 O LYS A 101 9.770 1.958 -5.181 1.00 0.00 O ATOM 1581 CB LYS A 101 7.030 1.090 -3.418 1.00 0.00 C ATOM 1582 CG LYS A 101 6.500 2.168 -2.466 1.00 0.00 C ATOM 1583 CD LYS A 101 5.957 1.510 -1.194 1.00 0.00 C ATOM 1584 CE LYS A 101 4.438 1.355 -1.299 1.00 0.00 C ATOM 1585 NZ LYS A 101 4.061 -0.011 -1.760 1.00 0.00 N ATOM 0 H LYS A 101 6.654 0.605 -6.369 1.00 0.00 H new ATOM 0 HA LYS A 101 7.446 2.811 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.272 0.322 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.897 0.598 -2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.297 2.868 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.713 2.743 -2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.422 0.535 -1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.211 2.115 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.983 1.551 -0.328 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.042 2.097 -1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.025 -0.094 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.448 -0.175 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.447 -0.718 -1.103 1.00 0.00 H new ATOM 1599 N CYS A 102 8.832 -0.054 -5.586 1.00 0.00 N ATOM 1600 CA CYS A 102 10.082 -0.680 -6.035 1.00 0.00 C ATOM 1601 C CYS A 102 10.810 0.206 -7.048 1.00 0.00 C ATOM 1602 O CYS A 102 12.012 0.444 -6.936 1.00 0.00 O ATOM 1603 CB CYS A 102 9.785 -2.031 -6.685 1.00 0.00 C ATOM 1604 SG CYS A 102 11.318 -2.977 -6.857 1.00 0.00 S ATOM 0 H CYS A 102 8.022 -0.674 -5.603 1.00 0.00 H new ATOM 0 HA CYS A 102 10.719 -0.816 -5.161 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.069 -2.587 -6.079 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.327 -1.882 -7.663 1.00 0.00 H new ATOM 1609 N VAL A 103 10.061 0.695 -8.031 1.00 0.00 N ATOM 1610 CA VAL A 103 10.634 1.561 -9.057 1.00 0.00 C ATOM 1611 C VAL A 103 11.200 2.835 -8.430 1.00 0.00 C ATOM 1612 O VAL A 103 12.125 3.445 -8.966 1.00 0.00 O ATOM 1613 CB VAL A 103 9.572 1.937 -10.092 1.00 0.00 C ATOM 1614 CG1 VAL A 103 9.115 0.679 -10.833 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.373 2.574 -9.385 1.00 0.00 C ATOM 0 H VAL A 103 9.064 0.509 -8.139 1.00 0.00 H new ATOM 0 HA VAL A 103 11.439 1.015 -9.548 1.00 0.00 H new ATOM 0 HB VAL A 103 9.994 2.646 -10.804 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.358 0.946 -11.571 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.968 0.223 -11.336 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.693 -0.030 -10.121 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.616 2.842 -10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.951 1.864 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.697 3.470 -8.855 1.00 0.00 H new ATOM 1625 N HIS A 104 10.636 3.229 -7.288 1.00 0.00 N ATOM 1626 CA HIS A 104 11.097 4.431 -6.598 1.00 0.00 C ATOM 1627 C HIS A 104 12.293 4.108 -5.708 1.00 0.00 C ATOM 1628 O HIS A 104 13.412 4.550 -5.964 1.00 0.00 O ATOM 1629 CB HIS A 104 9.975 5.015 -5.737 1.00 0.00 C ATOM 1630 CG HIS A 104 9.012 5.766 -6.614 1.00 0.00 C ATOM 1631 ND1 HIS A 104 7.948 5.143 -7.248 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.937 7.089 -6.974 1.00 0.00 C ATOM 1633 CE1 HIS A 104 7.287 6.081 -7.949 1.00 0.00 C ATOM 1634 NE2 HIS A 104 7.848 7.286 -7.817 1.00 0.00 N ATOM 0 H HIS A 104 9.869 2.740 -6.827 1.00 0.00 H new ATOM 0 HA HIS A 104 11.393 5.161 -7.351 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.455 4.217 -5.207 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.391 5.681 -4.981 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.620 7.860 -6.651 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.409 5.884 -8.546 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.544 8.162 -8.242 1.00 0.00 H new ATOM 1642 N ASP A 105 12.043 3.329 -4.657 1.00 0.00 N ATOM 1643 CA ASP A 105 13.113 2.953 -3.732 1.00 0.00 C ATOM 1644 C ASP A 105 13.969 1.841 -4.332 1.00 0.00 C ATOM 1645 O ASP A 105 13.795 0.663 -4.019 1.00 0.00 O ATOM 1646 CB ASP A 105 12.541 2.480 -2.389 1.00 0.00 C ATOM 1647 CG ASP A 105 11.455 1.432 -2.617 1.00 0.00 C ATOM 1648 OD1 ASP A 105 10.309 1.820 -2.767 1.00 0.00 O ATOM 1649 OD2 ASP A 105 11.784 0.257 -2.632 1.00 0.00 O ATOM 0 H ASP A 105 11.124 2.950 -4.426 1.00 0.00 H new ATOM 0 HA ASP A 105 13.728 3.837 -3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.337 2.061 -1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.129 3.328 -1.842 1.00 0.00 H new ATOM 1654 N ASN A 106 14.899 2.230 -5.199 1.00 0.00 N ATOM 1655 CA ASN A 106 15.782 1.260 -5.841 1.00 0.00 C ATOM 1656 C ASN A 106 17.060 1.083 -5.028 1.00 0.00 C ATOM 1657 O ASN A 106 17.414 1.930 -4.207 1.00 0.00 O ATOM 1658 CB ASN A 106 16.149 1.721 -7.252 1.00 0.00 C ATOM 1659 CG ASN A 106 14.924 1.613 -8.154 1.00 0.00 C ATOM 1660 OD1 ASN A 106 14.267 0.487 -8.209 1.00 0.00 O flip ATOM 1661 ND2 ASN A 106 14.553 2.575 -8.827 1.00 0.00 N flip ATOM 0 H ASN A 106 15.061 3.200 -5.472 1.00 0.00 H new ATOM 0 HA ASN A 106 15.252 0.309 -5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 106 16.508 2.750 -7.229 1.00 0.00 H new ATOM 0 HB3 ASN A 106 16.960 1.110 -7.647 1.00 0.00 H new ATOM 0 HD21 ASN A 106 15.066 3.455 -8.784 1.00 0.00 H new ATOM 0 HD22 ASN A 106 13.732 2.491 -9.427 1.00 0.00 H new ATOM 1668 N ARG A 107 17.748 -0.031 -5.265 1.00 0.00 N ATOM 1669 CA ARG A 107 18.989 -0.316 -4.549 1.00 0.00 C ATOM 1670 C ARG A 107 20.167 -0.347 -5.517 1.00 0.00 C ATOM 1671 O ARG A 107 20.227 -1.186 -6.417 1.00 0.00 O ATOM 1672 CB ARG A 107 18.897 -1.664 -3.831 1.00 0.00 C ATOM 1673 CG ARG A 107 18.210 -1.477 -2.477 1.00 0.00 C ATOM 1674 CD ARG A 107 17.637 -2.814 -2.006 1.00 0.00 C ATOM 1675 NE ARG A 107 18.702 -3.687 -1.517 1.00 0.00 N ATOM 1676 CZ ARG A 107 18.614 -5.008 -1.638 1.00 0.00 C ATOM 1677 NH1 ARG A 107 17.560 -5.635 -1.193 1.00 0.00 N ATOM 1678 NH2 ARG A 107 19.582 -5.677 -2.203 1.00 0.00 N ATOM 0 H ARG A 107 17.472 -0.744 -5.940 1.00 0.00 H new ATOM 0 HA ARG A 107 19.143 0.475 -3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 107 18.337 -2.374 -4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 107 19.894 -2.081 -3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 107 18.923 -1.097 -1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 107 17.414 -0.737 -2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 107 16.907 -2.644 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 107 17.110 -3.299 -2.827 1.00 0.00 H new ATOM 0 HE ARG A 107 19.525 -3.277 -1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 107 16.803 -5.112 -0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 107 17.492 -6.649 -1.286 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.406 -5.186 -2.551 1.00 0.00 H new ATOM 0 HH22 ARG A 107 19.515 -6.691 -2.296 1.00 0.00 H new ATOM 1692 N SER A 108 21.104 0.576 -5.321 1.00 0.00 N ATOM 1693 CA SER A 108 22.282 0.648 -6.181 1.00 0.00 C ATOM 1694 C SER A 108 23.350 -0.331 -5.703 1.00 0.00 C ATOM 1695 O SER A 108 23.043 -1.141 -4.845 1.00 0.00 O ATOM 1696 CB SER A 108 22.863 2.061 -6.175 1.00 0.00 C ATOM 1697 OG SER A 108 22.128 2.874 -7.081 1.00 0.00 O ATOM 1698 OXT SER A 108 24.461 -0.255 -6.204 1.00 0.00 O ATOM 0 H SER A 108 21.072 1.278 -4.582 1.00 0.00 H new ATOM 0 HA SER A 108 21.976 0.387 -7.194 1.00 0.00 H new ATOM 0 HB2 SER A 108 22.816 2.482 -5.171 1.00 0.00 H new ATOM 0 HB3 SER A 108 23.914 2.036 -6.461 1.00 0.00 H new ATOM 0 HG SER A 108 22.497 3.782 -7.079 1.00 0.00 H new TER 1704 SER A 108