USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 67 TYR OH : rot -126:sc= 1.38 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= -0.658 USER MOD Set 1.3: A 104 HEC O2D : rot 174:sc= -4.74! USER MOD Set 2.1: A 63 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.85) USER MOD Set 2.2: A 74 TYR OH : rot -136:sc= -0.0495 USER MOD Set 3.1: A 40 SER OG : rot 90:sc= 0.8 USER MOD Set 3.2: A 52 ASN : amide:sc= -3.84! C(o=-3!,f=-14!) USER MOD Set 4.1: A 39 HIS : no HD1:sc= -8.52! C(o=-12!,f=-14!) USER MOD Set 4.2: A 56 ASN : amide:sc= -3.02! C(o=-12!,f=-16!) USER MOD Set 5.1: A 19 THR OG1 : rot 180:sc= -1.69 USER MOD Set 5.2: A 31 ASN : amide:sc= -4.29! C(o=-6!,f=-8.5!) USER MOD Single : A 2 SER OG : rot -50:sc= -2.89! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ 139:sc= -0.0809 (180deg=-0.339) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 63:sc= 0.111 USER MOD Single : A 16 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.81) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -7.3! C(o=-9.4!,f=-7.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -10.8! C(o=-11!,f=-13!) USER MOD Single : A 42 GLN : amide:sc= -8.78! C(o=-8.8!,f=-9.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -35:sc= 1.12 USER MOD Single : A 48 TYR OH : rot 120:sc= -3.41 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0422) USER MOD Single : A 62 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.4) USER MOD Single : A 64 MET CE :methyl 179:sc= -12.3! (180deg=-12.8!) USER MOD Single : A 65 SER OG : rot 180:sc= -4.51! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0.169 (180deg=-0.0673) USER MOD Single : A 80 MET CE :methyl 162:sc= -1.39 (180deg=-2.47!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -3.67! C(o=-3.7!,f=-5.5!) USER MOD Single : A 96 THR OG1 : rot -90:sc= 1.01 USER MOD Single : A 97 TYR OH : rot -178:sc= 0.415 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -66:sc= 0.73 USER MOD Single : A 104 HEC O2A : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 7.597 -18.568 -7.342 1.00 0.00 N ATOM 2 CA THR A -5 8.501 -18.530 -6.204 1.00 0.00 C ATOM 3 C THR A -5 8.655 -17.096 -5.693 1.00 0.00 C ATOM 4 O THR A -5 8.546 -16.846 -4.494 1.00 0.00 O ATOM 5 CB THR A -5 9.824 -19.169 -6.630 1.00 0.00 C ATOM 6 OG1 THR A -5 10.683 -18.968 -5.511 1.00 0.00 O ATOM 7 CG2 THR A -5 10.506 -18.402 -7.765 1.00 0.00 C ATOM 0 H1 THR A -5 7.970 -19.221 -8.060 1.00 0.00 H new ATOM 0 H2 THR A -5 6.660 -18.895 -7.030 1.00 0.00 H new ATOM 0 H3 THR A -5 7.513 -17.615 -7.751 1.00 0.00 H new ATOM 0 HA THR A -5 8.104 -19.100 -5.364 1.00 0.00 H new ATOM 0 HB THR A -5 9.646 -20.198 -6.943 1.00 0.00 H new ATOM 0 HG1 THR A -5 11.564 -19.354 -5.701 1.00 0.00 H new ATOM 0 HG21 THR A -5 11.440 -18.897 -8.029 1.00 0.00 H new ATOM 0 HG22 THR A -5 9.849 -18.379 -8.635 1.00 0.00 H new ATOM 0 HG23 THR A -5 10.715 -17.382 -7.441 1.00 0.00 H new ATOM 15 N GLU A -4 8.906 -16.192 -6.628 1.00 0.00 N ATOM 16 CA GLU A -4 9.076 -14.790 -6.288 1.00 0.00 C ATOM 17 C GLU A -4 8.084 -14.385 -5.196 1.00 0.00 C ATOM 18 O GLU A -4 8.390 -13.539 -4.357 1.00 0.00 O ATOM 19 CB GLU A -4 8.923 -13.903 -7.524 1.00 0.00 C ATOM 20 CG GLU A -4 7.528 -14.050 -8.135 1.00 0.00 C ATOM 21 CD GLU A -4 7.432 -15.320 -8.983 1.00 0.00 C ATOM 22 OE1 GLU A -4 8.321 -15.496 -9.843 1.00 0.00 O ATOM 23 OE2 GLU A -4 6.471 -16.085 -8.752 1.00 0.00 O ATOM 0 H GLU A -4 8.996 -16.403 -7.622 1.00 0.00 H new ATOM 0 HA GLU A -4 10.087 -14.650 -5.904 1.00 0.00 H new ATOM 0 HB2 GLU A -4 9.097 -12.862 -7.253 1.00 0.00 H new ATOM 0 HB3 GLU A -4 9.678 -14.170 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A -4 6.781 -14.081 -7.342 1.00 0.00 H new ATOM 0 HG3 GLU A -4 7.303 -13.179 -8.751 1.00 0.00 H new ATOM 30 N PHE A -3 6.916 -15.008 -5.242 1.00 0.00 N ATOM 31 CA PHE A -3 5.877 -14.724 -4.267 1.00 0.00 C ATOM 32 C PHE A -3 4.686 -15.669 -4.442 1.00 0.00 C ATOM 33 O PHE A -3 4.309 -15.997 -5.566 1.00 0.00 O ATOM 34 CB PHE A -3 5.412 -13.287 -4.515 1.00 0.00 C ATOM 35 CG PHE A -3 3.898 -13.095 -4.408 1.00 0.00 C ATOM 36 CD1 PHE A -3 3.098 -13.399 -5.465 1.00 0.00 C ATOM 37 CD2 PHE A -3 3.352 -12.621 -3.256 1.00 0.00 C ATOM 38 CE1 PHE A -3 1.693 -13.221 -5.365 1.00 0.00 C ATOM 39 CE2 PHE A -3 1.947 -12.443 -3.157 1.00 0.00 C ATOM 40 CZ PHE A -3 1.147 -12.746 -4.213 1.00 0.00 C ATOM 0 H PHE A -3 6.666 -15.709 -5.940 1.00 0.00 H new ATOM 0 HA PHE A -3 6.268 -14.858 -3.258 1.00 0.00 H new ATOM 0 HB2 PHE A -3 5.903 -12.629 -3.798 1.00 0.00 H new ATOM 0 HB3 PHE A -3 5.738 -12.977 -5.508 1.00 0.00 H new ATOM 0 HD1 PHE A -3 3.531 -13.776 -6.380 1.00 0.00 H new ATOM 0 HD2 PHE A -3 3.987 -12.380 -2.417 1.00 0.00 H new ATOM 0 HE1 PHE A -3 1.057 -13.463 -6.204 1.00 0.00 H new ATOM 0 HE2 PHE A -3 1.514 -12.067 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A -3 0.078 -12.610 -4.138 1.00 0.00 H new ATOM 50 N LYS A -2 4.128 -16.081 -3.313 1.00 0.00 N ATOM 51 CA LYS A -2 2.988 -16.982 -3.328 1.00 0.00 C ATOM 52 C LYS A -2 1.704 -16.170 -3.509 1.00 0.00 C ATOM 53 O LYS A -2 1.566 -15.086 -2.945 1.00 0.00 O ATOM 54 CB LYS A -2 2.986 -17.864 -2.078 1.00 0.00 C ATOM 55 CG LYS A -2 3.008 -19.347 -2.453 1.00 0.00 C ATOM 56 CD LYS A -2 2.785 -20.228 -1.222 1.00 0.00 C ATOM 57 CE LYS A -2 4.118 -20.661 -0.608 1.00 0.00 C ATOM 58 NZ LYS A -2 3.892 -21.614 0.502 1.00 0.00 N ATOM 0 H LYS A -2 4.444 -15.808 -2.382 1.00 0.00 H new ATOM 0 HA LYS A -2 3.055 -17.667 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A -2 3.853 -17.628 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A -2 2.101 -17.650 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A -2 2.235 -19.550 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A -2 3.964 -19.595 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A -2 2.200 -19.683 -0.482 1.00 0.00 H new ATOM 0 HD3 LYS A -2 2.206 -21.108 -1.501 1.00 0.00 H new ATOM 0 HE2 LYS A -2 4.743 -21.124 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A -2 4.657 -19.788 -0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 4.807 -21.898 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 3.313 -21.160 1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 3.397 -22.455 0.142 1.00 0.00 H new ATOM 72 N ALA A -1 0.796 -16.727 -4.298 1.00 0.00 N ATOM 73 CA ALA A -1 -0.472 -16.068 -4.561 1.00 0.00 C ATOM 74 C ALA A -1 -1.610 -16.920 -3.996 1.00 0.00 C ATOM 75 O ALA A -1 -1.474 -18.135 -3.861 1.00 0.00 O ATOM 76 CB ALA A -1 -0.618 -15.822 -6.064 1.00 0.00 C ATOM 0 H ALA A -1 0.914 -17.627 -4.763 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.510 -15.097 -4.067 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -1.569 -15.328 -6.261 1.00 0.00 H new ATOM 0 HB2 ALA A -1 0.199 -15.188 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -0.588 -16.774 -6.593 1.00 0.00 H new ATOM 82 N GLY A 1 -2.709 -16.249 -3.681 1.00 0.00 N ATOM 83 CA GLY A 1 -3.870 -16.929 -3.134 1.00 0.00 C ATOM 84 C GLY A 1 -3.574 -17.485 -1.740 1.00 0.00 C ATOM 85 O GLY A 1 -2.554 -18.142 -1.534 1.00 0.00 O ATOM 0 H GLY A 1 -2.819 -15.241 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.710 -16.237 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.166 -17.741 -3.798 1.00 0.00 H new ATOM 89 N SER A 2 -4.483 -17.202 -0.819 1.00 0.00 N ATOM 90 CA SER A 2 -4.332 -17.666 0.550 1.00 0.00 C ATOM 91 C SER A 2 -5.382 -17.007 1.445 1.00 0.00 C ATOM 92 O SER A 2 -5.079 -16.595 2.564 1.00 0.00 O ATOM 93 CB SER A 2 -2.926 -17.375 1.078 1.00 0.00 C ATOM 94 OG SER A 2 -2.851 -17.503 2.495 1.00 0.00 O ATOM 0 H SER A 2 -5.327 -16.657 -0.994 1.00 0.00 H new ATOM 0 HA SER A 2 -4.479 -18.746 0.563 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.216 -18.059 0.614 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.632 -16.366 0.789 1.00 0.00 H new ATOM 0 HG SER A 2 -3.577 -16.992 2.909 1.00 0.00 H new ATOM 100 N ALA A 3 -6.596 -16.927 0.919 1.00 0.00 N ATOM 101 CA ALA A 3 -7.693 -16.324 1.657 1.00 0.00 C ATOM 102 C ALA A 3 -7.848 -17.035 3.003 1.00 0.00 C ATOM 103 O ALA A 3 -7.163 -18.021 3.271 1.00 0.00 O ATOM 104 CB ALA A 3 -8.969 -16.384 0.815 1.00 0.00 C ATOM 0 H ALA A 3 -6.844 -17.270 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.487 -15.273 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.792 -15.932 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.816 -15.840 -0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.210 -17.424 0.592 1.00 0.00 H new ATOM 110 N LYS A 4 -8.753 -16.507 3.814 1.00 0.00 N ATOM 111 CA LYS A 4 -9.007 -17.079 5.126 1.00 0.00 C ATOM 112 C LYS A 4 -7.783 -16.861 6.018 1.00 0.00 C ATOM 113 O LYS A 4 -7.396 -17.749 6.775 1.00 0.00 O ATOM 114 CB LYS A 4 -9.422 -18.546 4.999 1.00 0.00 C ATOM 115 CG LYS A 4 -10.651 -18.844 5.860 1.00 0.00 C ATOM 116 CD LYS A 4 -11.492 -19.964 5.246 1.00 0.00 C ATOM 117 CE LYS A 4 -12.907 -19.969 5.828 1.00 0.00 C ATOM 118 NZ LYS A 4 -13.183 -21.254 6.509 1.00 0.00 N ATOM 0 H LYS A 4 -9.319 -15.689 3.588 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.846 -16.575 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.639 -18.777 3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.596 -19.189 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.336 -19.130 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.256 -17.943 5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.540 -19.836 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.015 -20.926 5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.019 -19.145 6.533 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.634 -19.809 5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.147 -21.241 6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.096 -22.034 5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.500 -21.391 7.281 1.00 0.00 H new ATOM 132 N LYS A 5 -7.208 -15.673 5.899 1.00 0.00 N ATOM 133 CA LYS A 5 -6.036 -15.327 6.685 1.00 0.00 C ATOM 134 C LYS A 5 -5.496 -13.973 6.219 1.00 0.00 C ATOM 135 O LYS A 5 -4.978 -13.198 7.022 1.00 0.00 O ATOM 136 CB LYS A 5 -5.002 -16.453 6.630 1.00 0.00 C ATOM 137 CG LYS A 5 -4.811 -16.953 5.197 1.00 0.00 C ATOM 138 CD LYS A 5 -3.965 -18.227 5.169 1.00 0.00 C ATOM 139 CE LYS A 5 -4.614 -19.334 6.002 1.00 0.00 C ATOM 140 NZ LYS A 5 -3.778 -19.653 7.181 1.00 0.00 N ATOM 0 H LYS A 5 -7.532 -14.938 5.270 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.301 -15.220 7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.050 -16.097 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.323 -17.277 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.783 -17.148 4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.329 -16.179 4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.844 -18.565 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.968 -18.014 5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.606 -19.019 6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.747 -20.227 5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.233 -20.406 7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.840 -19.974 6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.673 -18.804 7.772 1.00 0.00 H new ATOM 154 N GLY A 6 -5.636 -13.730 4.924 1.00 0.00 N ATOM 155 CA GLY A 6 -5.169 -12.484 4.342 1.00 0.00 C ATOM 156 C GLY A 6 -6.234 -11.391 4.459 1.00 0.00 C ATOM 157 O GLY A 6 -5.913 -10.203 4.454 1.00 0.00 O ATOM 0 H GLY A 6 -6.066 -14.375 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.257 -12.163 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.917 -12.640 3.293 1.00 0.00 H new ATOM 161 N ALA A 7 -7.479 -11.831 4.561 1.00 0.00 N ATOM 162 CA ALA A 7 -8.593 -10.906 4.679 1.00 0.00 C ATOM 163 C ALA A 7 -8.572 -10.264 6.068 1.00 0.00 C ATOM 164 O ALA A 7 -8.452 -9.046 6.191 1.00 0.00 O ATOM 165 CB ALA A 7 -9.903 -11.644 4.397 1.00 0.00 C ATOM 0 H ALA A 7 -7.741 -12.817 4.564 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.506 -10.105 3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.738 -10.949 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.879 -12.055 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.027 -12.454 5.116 1.00 0.00 H new ATOM 171 N THR A 8 -8.691 -11.113 7.079 1.00 0.00 N ATOM 172 CA THR A 8 -8.688 -10.644 8.454 1.00 0.00 C ATOM 173 C THR A 8 -7.520 -9.684 8.687 1.00 0.00 C ATOM 174 O THR A 8 -7.560 -8.861 9.600 1.00 0.00 O ATOM 175 CB THR A 8 -8.662 -11.868 9.371 1.00 0.00 C ATOM 176 OG1 THR A 8 -9.943 -11.863 9.994 1.00 0.00 O ATOM 177 CG2 THR A 8 -7.681 -11.708 10.534 1.00 0.00 C ATOM 0 H THR A 8 -8.790 -12.123 6.973 1.00 0.00 H new ATOM 0 HA THR A 8 -9.588 -10.071 8.679 1.00 0.00 H new ATOM 0 HB THR A 8 -8.395 -12.751 8.790 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.013 -12.626 10.605 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.702 -12.605 11.154 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.674 -11.560 10.143 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.967 -10.845 11.135 1.00 0.00 H new ATOM 185 N LEU A 9 -6.505 -9.822 7.846 1.00 0.00 N ATOM 186 CA LEU A 9 -5.327 -8.978 7.950 1.00 0.00 C ATOM 187 C LEU A 9 -5.723 -7.523 7.689 1.00 0.00 C ATOM 188 O LEU A 9 -5.833 -6.730 8.623 1.00 0.00 O ATOM 189 CB LEU A 9 -4.219 -9.488 7.026 1.00 0.00 C ATOM 190 CG LEU A 9 -2.801 -9.016 7.355 1.00 0.00 C ATOM 191 CD1 LEU A 9 -1.759 -9.854 6.611 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.642 -7.521 7.073 1.00 0.00 C ATOM 0 H LEU A 9 -6.474 -10.506 7.090 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.915 -9.022 8.958 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.231 -10.578 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.455 -9.183 6.006 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.630 -9.162 8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.760 -9.498 6.862 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.856 -10.899 6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.918 -9.762 5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.625 -7.211 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.839 -7.327 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.348 -6.958 7.684 1.00 0.00 H new ATOM 204 N PHE A 10 -5.927 -7.218 6.416 1.00 0.00 N ATOM 205 CA PHE A 10 -6.308 -5.872 6.021 1.00 0.00 C ATOM 206 C PHE A 10 -7.430 -5.337 6.913 1.00 0.00 C ATOM 207 O PHE A 10 -7.495 -4.138 7.183 1.00 0.00 O ATOM 208 CB PHE A 10 -6.814 -5.956 4.580 1.00 0.00 C ATOM 209 CG PHE A 10 -7.058 -4.594 3.926 1.00 0.00 C ATOM 210 CD1 PHE A 10 -6.006 -3.850 3.492 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.327 -4.128 3.780 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.233 -2.586 2.885 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.554 -2.864 3.174 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.502 -2.120 2.739 1.00 0.00 C ATOM 0 H PHE A 10 -5.836 -7.879 5.645 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.455 -5.200 6.114 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.089 -6.510 3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.743 -6.527 4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.998 -4.220 3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.162 -4.719 4.125 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.398 -1.995 2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.562 -2.494 3.059 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.675 -1.159 2.278 1.00 0.00 H new ATOM 224 N LYS A 11 -8.287 -6.251 7.345 1.00 0.00 N ATOM 225 CA LYS A 11 -9.403 -5.885 8.200 1.00 0.00 C ATOM 226 C LYS A 11 -8.940 -4.842 9.219 1.00 0.00 C ATOM 227 O LYS A 11 -9.251 -3.660 9.087 1.00 0.00 O ATOM 228 CB LYS A 11 -10.022 -7.132 8.835 1.00 0.00 C ATOM 229 CG LYS A 11 -11.550 -7.048 8.833 1.00 0.00 C ATOM 230 CD LYS A 11 -12.166 -8.236 9.573 1.00 0.00 C ATOM 231 CE LYS A 11 -13.536 -8.593 8.994 1.00 0.00 C ATOM 232 NZ LYS A 11 -13.500 -9.932 8.364 1.00 0.00 N ATOM 0 H LYS A 11 -8.231 -7.244 7.119 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.198 -5.426 7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.702 -8.019 8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.662 -7.241 9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.867 -6.118 9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.915 -7.026 7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.502 -9.097 9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.266 -7.997 10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.287 -8.576 9.784 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.832 -7.846 8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.438 -10.159 7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.798 -9.936 7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.239 -10.644 9.076 1.00 0.00 H new ATOM 246 N THR A 12 -8.203 -5.318 10.212 1.00 0.00 N ATOM 247 CA THR A 12 -7.693 -4.441 11.252 1.00 0.00 C ATOM 248 C THR A 12 -6.164 -4.410 11.221 1.00 0.00 C ATOM 249 O THR A 12 -5.512 -4.780 12.197 1.00 0.00 O ATOM 250 CB THR A 12 -8.264 -4.914 12.590 1.00 0.00 C ATOM 251 OG1 THR A 12 -7.842 -6.272 12.688 1.00 0.00 O ATOM 252 CG2 THR A 12 -9.792 -4.999 12.578 1.00 0.00 C ATOM 0 H THR A 12 -7.947 -6.300 10.318 1.00 0.00 H new ATOM 0 HA THR A 12 -8.011 -3.411 11.092 1.00 0.00 H new ATOM 0 HB THR A 12 -7.944 -4.235 13.380 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.863 -6.309 12.719 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.145 -5.340 13.551 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.209 -4.015 12.364 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.111 -5.703 11.810 1.00 0.00 H new ATOM 260 N ARG A 13 -5.635 -3.965 10.091 1.00 0.00 N ATOM 261 CA ARG A 13 -4.195 -3.881 9.920 1.00 0.00 C ATOM 262 C ARG A 13 -3.833 -2.674 9.052 1.00 0.00 C ATOM 263 O ARG A 13 -2.924 -1.915 9.385 1.00 0.00 O ATOM 264 CB ARG A 13 -3.642 -5.151 9.272 1.00 0.00 C ATOM 265 CG ARG A 13 -3.800 -6.355 10.202 1.00 0.00 C ATOM 266 CD ARG A 13 -2.615 -6.464 11.165 1.00 0.00 C ATOM 267 NE ARG A 13 -2.452 -7.866 11.610 1.00 0.00 N ATOM 268 CZ ARG A 13 -1.627 -8.250 12.593 1.00 0.00 C ATOM 269 NH1 ARG A 13 -0.885 -7.341 13.240 1.00 0.00 N ATOM 270 NH2 ARG A 13 -1.543 -9.545 12.930 1.00 0.00 N ATOM 0 H ARG A 13 -6.179 -3.659 9.284 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.750 -3.768 10.909 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.163 -5.341 8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.589 -5.010 9.029 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.726 -6.262 10.769 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.878 -7.268 9.611 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.704 -6.121 10.674 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.775 -5.816 12.027 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.002 -8.584 11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.948 -6.356 12.984 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.257 -7.634 13.988 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.107 -10.238 12.438 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.915 -9.837 13.678 1.00 0.00 H new ATOM 284 N CYS A 14 -4.563 -2.534 7.955 1.00 0.00 N ATOM 285 CA CYS A 14 -4.330 -1.433 7.037 1.00 0.00 C ATOM 286 C CYS A 14 -5.560 -0.523 7.056 1.00 0.00 C ATOM 287 O CYS A 14 -5.433 0.700 7.024 1.00 0.00 O ATOM 288 CB CYS A 14 -4.011 -1.931 5.626 1.00 0.00 C ATOM 289 SG CYS A 14 -3.357 -3.638 5.544 1.00 0.00 S ATOM 0 H CYS A 14 -5.316 -3.165 7.682 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.455 -0.867 7.358 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.917 -1.875 5.023 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.284 -1.256 5.173 1.00 0.00 H new ATOM 294 N LEU A 15 -6.724 -1.155 7.108 1.00 0.00 N ATOM 295 CA LEU A 15 -7.976 -0.418 7.132 1.00 0.00 C ATOM 296 C LEU A 15 -7.842 0.775 8.080 1.00 0.00 C ATOM 297 O LEU A 15 -8.364 1.854 7.803 1.00 0.00 O ATOM 298 CB LEU A 15 -9.139 -1.350 7.476 1.00 0.00 C ATOM 299 CG LEU A 15 -10.412 -1.169 6.647 1.00 0.00 C ATOM 300 CD1 LEU A 15 -10.190 -1.609 5.199 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.595 -1.894 7.291 1.00 0.00 C ATOM 0 H LEU A 15 -6.826 -2.170 7.134 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.201 -0.016 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.799 -2.379 7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.391 -1.211 8.527 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.658 -0.107 6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.110 -1.470 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.395 -1.010 4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.906 -2.661 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.487 -1.749 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.374 -2.959 7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.769 -1.492 8.289 1.00 0.00 H new ATOM 313 N GLN A 16 -7.139 0.542 9.178 1.00 0.00 N ATOM 314 CA GLN A 16 -6.930 1.584 10.169 1.00 0.00 C ATOM 315 C GLN A 16 -6.559 2.901 9.483 1.00 0.00 C ATOM 316 O GLN A 16 -6.853 3.978 9.999 1.00 0.00 O ATOM 317 CB GLN A 16 -5.860 1.172 11.181 1.00 0.00 C ATOM 318 CG GLN A 16 -4.544 0.829 10.479 1.00 0.00 C ATOM 319 CD GLN A 16 -3.374 0.854 11.464 1.00 0.00 C ATOM 320 OE1 GLN A 16 -2.672 1.842 11.608 1.00 0.00 O ATOM 321 NE2 GLN A 16 -3.204 -0.283 12.132 1.00 0.00 N ATOM 0 H GLN A 16 -6.706 -0.354 9.404 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.861 1.731 10.716 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.697 1.981 11.893 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.207 0.311 11.752 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.618 -0.158 10.022 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.361 1.540 9.674 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.828 -1.072 11.963 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.450 -0.366 12.813 1.00 0.00 H new ATOM 330 N CYS A 17 -5.918 2.771 8.331 1.00 0.00 N ATOM 331 CA CYS A 17 -5.503 3.937 7.569 1.00 0.00 C ATOM 332 C CYS A 17 -6.375 4.026 6.315 1.00 0.00 C ATOM 333 O CYS A 17 -7.077 4.980 5.968 1.00 0.00 O ATOM 334 CB CYS A 17 -4.013 3.888 7.227 1.00 0.00 C ATOM 335 SG CYS A 17 -2.912 3.517 8.641 1.00 0.00 S ATOM 0 H CYS A 17 -5.676 1.876 7.906 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.640 4.836 8.170 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.856 3.134 6.455 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.721 4.847 6.799 1.00 0.00 H new ATOM 340 N HIS A 18 -6.351 2.906 5.507 1.00 0.00 N ATOM 341 CA HIS A 18 -6.810 2.906 4.104 1.00 0.00 C ATOM 342 C HIS A 18 -8.178 2.280 3.873 1.00 0.00 C ATOM 343 O HIS A 18 -8.714 1.478 4.637 1.00 0.00 O ATOM 344 CB HIS A 18 -5.877 2.051 3.235 1.00 0.00 C ATOM 345 CG HIS A 18 -4.416 2.384 3.085 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.962 3.323 2.229 1.00 0.00 N ATOM 347 CD2 HIS A 18 -3.305 1.815 3.675 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.716 3.380 2.310 1.00 0.00 C ATOM 349 NE2 HIS A 18 -2.217 2.438 3.166 1.00 0.00 N ATOM 0 H HIS A 18 -6.013 1.998 5.825 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.832 3.966 3.849 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.932 1.032 3.619 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.303 2.037 2.232 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.542 3.894 1.615 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.304 1.021 4.407 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.107 4.089 1.769 1.00 0.00 H new ATOM 357 N THR A 19 -8.721 2.721 2.748 1.00 0.00 N ATOM 358 CA THR A 19 -10.036 2.271 2.324 1.00 0.00 C ATOM 359 C THR A 19 -9.990 1.778 0.877 1.00 0.00 C ATOM 360 O THR A 19 -9.855 2.575 -0.051 1.00 0.00 O ATOM 361 CB THR A 19 -11.022 3.420 2.543 1.00 0.00 C ATOM 362 OG1 THR A 19 -10.764 4.311 1.461 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.693 4.244 3.790 1.00 0.00 C ATOM 0 H THR A 19 -8.274 3.386 2.117 1.00 0.00 H new ATOM 0 HA THR A 19 -10.371 1.418 2.914 1.00 0.00 H new ATOM 0 HB THR A 19 -12.032 3.020 2.628 1.00 0.00 H new ATOM 0 HG1 THR A 19 -11.362 5.085 1.525 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.423 5.046 3.899 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.726 3.601 4.670 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.696 4.672 3.690 1.00 0.00 H new ATOM 371 N VAL A 20 -10.105 0.466 0.728 1.00 0.00 N ATOM 372 CA VAL A 20 -10.078 -0.143 -0.591 1.00 0.00 C ATOM 373 C VAL A 20 -11.173 0.481 -1.458 1.00 0.00 C ATOM 374 O VAL A 20 -11.009 0.616 -2.670 1.00 0.00 O ATOM 375 CB VAL A 20 -10.207 -1.662 -0.468 1.00 0.00 C ATOM 376 CG1 VAL A 20 -11.578 -2.054 0.086 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.943 -2.345 -1.811 1.00 0.00 C ATOM 0 H VAL A 20 -10.217 -0.192 1.499 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.124 0.051 -1.082 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.451 -2.006 0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.643 -3.139 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.712 -1.612 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.358 -1.691 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.041 -3.424 -1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.665 -1.992 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.934 -2.106 -2.149 1.00 0.00 H new ATOM 387 N GLU A 21 -12.266 0.846 -0.804 1.00 0.00 N ATOM 388 CA GLU A 21 -13.388 1.453 -1.500 1.00 0.00 C ATOM 389 C GLU A 21 -13.022 2.863 -1.969 1.00 0.00 C ATOM 390 O GLU A 21 -12.070 3.459 -1.468 1.00 0.00 O ATOM 391 CB GLU A 21 -14.636 1.475 -0.615 1.00 0.00 C ATOM 392 CG GLU A 21 -14.739 0.197 0.219 1.00 0.00 C ATOM 393 CD GLU A 21 -16.193 -0.094 0.598 1.00 0.00 C ATOM 394 OE1 GLU A 21 -17.074 0.269 -0.211 1.00 0.00 O ATOM 395 OE2 GLU A 21 -16.390 -0.674 1.687 1.00 0.00 O ATOM 0 H GLU A 21 -12.399 0.733 0.201 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.617 0.848 -2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.603 2.342 0.044 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.525 1.581 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.331 -0.643 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.137 0.298 1.122 1.00 0.00 H new ATOM 402 N LYS A 22 -13.798 3.355 -2.923 1.00 0.00 N ATOM 403 CA LYS A 22 -13.568 4.683 -3.465 1.00 0.00 C ATOM 404 C LYS A 22 -14.375 5.704 -2.660 1.00 0.00 C ATOM 405 O LYS A 22 -14.802 5.421 -1.541 1.00 0.00 O ATOM 406 CB LYS A 22 -13.865 4.709 -4.965 1.00 0.00 C ATOM 407 CG LYS A 22 -12.653 5.209 -5.755 1.00 0.00 C ATOM 408 CD LYS A 22 -12.939 5.206 -7.258 1.00 0.00 C ATOM 409 CE LYS A 22 -11.706 4.769 -8.050 1.00 0.00 C ATOM 410 NZ LYS A 22 -11.187 5.893 -8.863 1.00 0.00 N ATOM 0 H LYS A 22 -14.587 2.857 -3.335 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.518 4.958 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.137 3.709 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.722 5.355 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.395 6.218 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.791 4.576 -5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.770 4.534 -7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.245 6.203 -7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.932 4.419 -7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.961 3.931 -8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.350 5.579 -9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.921 6.208 -9.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.925 6.682 -8.238 1.00 0.00 H new ATOM 424 N GLY A 23 -14.562 6.870 -3.262 1.00 0.00 N ATOM 425 CA GLY A 23 -15.311 7.934 -2.615 1.00 0.00 C ATOM 426 C GLY A 23 -14.855 8.123 -1.167 1.00 0.00 C ATOM 427 O GLY A 23 -15.651 8.494 -0.305 1.00 0.00 O ATOM 0 H GLY A 23 -14.208 7.101 -4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.178 8.865 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.375 7.700 -2.637 1.00 0.00 H new ATOM 431 N GLY A 24 -13.576 7.861 -0.943 1.00 0.00 N ATOM 432 CA GLY A 24 -13.005 7.998 0.386 1.00 0.00 C ATOM 433 C GLY A 24 -11.928 9.084 0.410 1.00 0.00 C ATOM 434 O GLY A 24 -11.024 9.087 -0.424 1.00 0.00 O ATOM 0 H GLY A 24 -12.918 7.554 -1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.791 8.244 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.575 7.047 0.701 1.00 0.00 H new ATOM 438 N PRO A 25 -12.063 10.005 1.402 1.00 0.00 N ATOM 439 CA PRO A 25 -11.112 11.094 1.547 1.00 0.00 C ATOM 440 C PRO A 25 -9.793 10.596 2.142 1.00 0.00 C ATOM 441 O PRO A 25 -9.790 9.889 3.148 1.00 0.00 O ATOM 442 CB PRO A 25 -11.813 12.114 2.428 1.00 0.00 C ATOM 443 CG PRO A 25 -12.936 11.362 3.123 1.00 0.00 C ATOM 444 CD PRO A 25 -13.120 10.034 2.408 1.00 0.00 C ATOM 0 HA PRO A 25 -10.833 11.538 0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.123 12.543 3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.205 12.940 1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.694 11.200 4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.859 11.942 3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.031 9.196 3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.106 9.965 1.948 1.00 0.00 H new ATOM 452 N HIS A 26 -8.704 10.984 1.494 1.00 0.00 N ATOM 453 CA HIS A 26 -7.383 10.585 1.946 1.00 0.00 C ATOM 454 C HIS A 26 -7.232 10.902 3.435 1.00 0.00 C ATOM 455 O HIS A 26 -7.189 12.069 3.824 1.00 0.00 O ATOM 456 CB HIS A 26 -6.295 11.236 1.089 1.00 0.00 C ATOM 457 CG HIS A 26 -6.488 11.045 -0.397 1.00 0.00 C ATOM 458 ND1 HIS A 26 -6.666 11.955 -1.397 1.00 0.00 N flip ATOM 459 CD2 HIS A 26 -6.513 9.797 -0.995 1.00 0.00 C flip ATOM 460 CE1 HIS A 26 -6.791 11.300 -2.544 1.00 0.00 C flip ATOM 461 NE2 HIS A 26 -6.698 9.961 -2.297 1.00 0.00 N flip ATOM 0 H HIS A 26 -8.710 11.571 0.660 1.00 0.00 H new ATOM 0 HA HIS A 26 -7.264 9.508 1.825 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.265 12.304 1.307 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.327 10.825 1.375 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -6.698 12.968 -1.282 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.401 8.851 -0.487 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.942 11.752 -3.513 1.00 0.00 H new ATOM 469 N LYS A 27 -7.157 9.844 4.229 1.00 0.00 N ATOM 470 CA LYS A 27 -7.013 9.995 5.667 1.00 0.00 C ATOM 471 C LYS A 27 -5.529 9.942 6.034 1.00 0.00 C ATOM 472 O LYS A 27 -4.788 10.889 5.777 1.00 0.00 O ATOM 473 CB LYS A 27 -7.866 8.960 6.402 1.00 0.00 C ATOM 474 CG LYS A 27 -9.320 9.424 6.509 1.00 0.00 C ATOM 475 CD LYS A 27 -10.115 8.525 7.458 1.00 0.00 C ATOM 476 CE LYS A 27 -11.208 9.318 8.178 1.00 0.00 C ATOM 477 NZ LYS A 27 -12.539 8.734 7.900 1.00 0.00 N ATOM 0 H LYS A 27 -7.193 8.878 3.903 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.387 10.967 5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.823 8.007 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.460 8.791 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.351 10.453 6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.782 9.415 5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.565 7.706 6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.442 8.078 8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.020 9.316 9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.185 10.358 7.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.270 9.284 8.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.722 8.759 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.562 7.749 8.232 1.00 0.00 H new ATOM 491 N VAL A 28 -5.139 8.824 6.630 1.00 0.00 N ATOM 492 CA VAL A 28 -3.757 8.635 7.035 1.00 0.00 C ATOM 493 C VAL A 28 -2.917 8.266 5.811 1.00 0.00 C ATOM 494 O VAL A 28 -1.743 8.625 5.727 1.00 0.00 O ATOM 495 CB VAL A 28 -3.677 7.591 8.151 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.224 7.318 8.543 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.501 8.024 9.366 1.00 0.00 C ATOM 0 H VAL A 28 -5.757 8.040 6.842 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.349 9.560 7.443 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.102 6.661 7.772 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.195 6.573 9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.677 6.946 7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.762 8.241 8.894 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.427 7.265 10.145 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.119 8.972 9.746 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.544 8.144 9.074 1.00 0.00 H new ATOM 507 N GLY A 29 -3.550 7.553 4.891 1.00 0.00 N ATOM 508 CA GLY A 29 -2.876 7.131 3.675 1.00 0.00 C ATOM 509 C GLY A 29 -3.807 7.240 2.466 1.00 0.00 C ATOM 510 O GLY A 29 -5.012 7.432 2.621 1.00 0.00 O ATOM 0 H GLY A 29 -4.523 7.257 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.991 7.746 3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.534 6.102 3.783 1.00 0.00 H new ATOM 514 N PRO A 30 -3.197 7.109 1.257 1.00 0.00 N ATOM 515 CA PRO A 30 -3.958 7.191 0.022 1.00 0.00 C ATOM 516 C PRO A 30 -4.767 5.913 -0.209 1.00 0.00 C ATOM 517 O PRO A 30 -4.423 4.854 0.314 1.00 0.00 O ATOM 518 CB PRO A 30 -2.923 7.443 -1.062 1.00 0.00 C ATOM 519 CG PRO A 30 -1.586 7.032 -0.466 1.00 0.00 C ATOM 520 CD PRO A 30 -1.772 6.881 1.035 1.00 0.00 C ATOM 0 HA PRO A 30 -4.701 7.989 0.038 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.146 6.863 -1.957 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.913 8.492 -1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.245 6.094 -0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.825 7.781 -0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.472 5.889 1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.166 7.602 1.584 1.00 0.00 H new ATOM 528 N ASN A 31 -5.825 6.054 -0.993 1.00 0.00 N ATOM 529 CA ASN A 31 -6.685 4.924 -1.300 1.00 0.00 C ATOM 530 C ASN A 31 -5.950 3.970 -2.244 1.00 0.00 C ATOM 531 O ASN A 31 -5.076 4.391 -3.000 1.00 0.00 O ATOM 532 CB ASN A 31 -7.969 5.382 -1.996 1.00 0.00 C ATOM 533 CG ASN A 31 -9.111 4.395 -1.744 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.107 3.269 -2.213 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.085 4.880 -0.980 1.00 0.00 N ATOM 0 H ASN A 31 -6.107 6.934 -1.425 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.939 4.430 -0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.251 6.370 -1.633 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.793 5.474 -3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.893 4.300 -0.754 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.025 5.832 -0.620 1.00 0.00 H new ATOM 542 N LEU A 32 -6.331 2.703 -2.168 1.00 0.00 N ATOM 543 CA LEU A 32 -5.718 1.686 -3.005 1.00 0.00 C ATOM 544 C LEU A 32 -6.771 1.111 -3.954 1.00 0.00 C ATOM 545 O LEU A 32 -6.801 -0.094 -4.197 1.00 0.00 O ATOM 546 CB LEU A 32 -5.024 0.629 -2.144 1.00 0.00 C ATOM 547 CG LEU A 32 -4.171 1.159 -0.990 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.800 0.035 -0.021 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.936 1.896 -1.513 1.00 0.00 C ATOM 0 H LEU A 32 -7.057 2.358 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.935 2.124 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.786 -0.033 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.389 0.022 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.765 1.883 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.194 0.439 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.708 -0.406 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.233 -0.730 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.348 2.262 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.331 1.214 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.249 2.738 -2.131 1.00 0.00 H new ATOM 561 N HIS A 33 -7.610 2.001 -4.465 1.00 0.00 N ATOM 562 CA HIS A 33 -8.662 1.597 -5.383 1.00 0.00 C ATOM 563 C HIS A 33 -8.040 1.005 -6.648 1.00 0.00 C ATOM 564 O HIS A 33 -7.534 1.737 -7.497 1.00 0.00 O ATOM 565 CB HIS A 33 -9.605 2.766 -5.676 1.00 0.00 C ATOM 566 CG HIS A 33 -11.025 2.348 -5.978 1.00 0.00 C ATOM 567 ND1 HIS A 33 -11.502 2.194 -7.268 1.00 0.00 N ATOM 568 CD2 HIS A 33 -12.064 2.055 -5.145 1.00 0.00 C ATOM 569 CE1 HIS A 33 -12.773 1.824 -7.202 1.00 0.00 C ATOM 570 NE2 HIS A 33 -13.119 1.739 -5.885 1.00 0.00 N ATOM 0 H HIS A 33 -7.583 3.000 -4.261 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.273 0.820 -4.923 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.610 3.439 -4.819 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.215 3.331 -6.523 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.033 2.077 -4.066 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.421 1.625 -8.043 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -14.038 1.476 -5.528 1.00 0.00 H new ATOM 578 N GLY A 34 -8.098 -0.316 -6.735 1.00 0.00 N ATOM 579 CA GLY A 34 -7.546 -1.016 -7.883 1.00 0.00 C ATOM 580 C GLY A 34 -6.132 -0.523 -8.198 1.00 0.00 C ATOM 581 O GLY A 34 -5.960 0.476 -8.894 1.00 0.00 O ATOM 0 H GLY A 34 -8.519 -0.920 -6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.526 -2.088 -7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.189 -0.864 -8.750 1.00 0.00 H new ATOM 585 N ILE A 35 -5.157 -1.247 -7.670 1.00 0.00 N ATOM 586 CA ILE A 35 -3.763 -0.897 -7.886 1.00 0.00 C ATOM 587 C ILE A 35 -3.084 -2.000 -8.699 1.00 0.00 C ATOM 588 O ILE A 35 -3.725 -2.657 -9.517 1.00 0.00 O ATOM 589 CB ILE A 35 -3.072 -0.601 -6.553 1.00 0.00 C ATOM 590 CG1 ILE A 35 -2.826 -1.890 -5.765 1.00 0.00 C ATOM 591 CG2 ILE A 35 -3.865 0.425 -5.740 1.00 0.00 C ATOM 592 CD1 ILE A 35 -3.860 -2.057 -4.651 1.00 0.00 C ATOM 0 H ILE A 35 -5.304 -2.075 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.687 0.021 -8.469 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.097 -0.161 -6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.870 -2.746 -6.438 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.824 -1.873 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.352 0.617 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.946 1.353 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.863 0.036 -5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.662 -2.980 -4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.797 -1.211 -3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.859 -2.098 -5.085 1.00 0.00 H new ATOM 604 N PHE A 36 -1.795 -2.170 -8.445 1.00 0.00 N ATOM 605 CA PHE A 36 -1.022 -3.183 -9.143 1.00 0.00 C ATOM 606 C PHE A 36 -1.102 -2.987 -10.658 1.00 0.00 C ATOM 607 O PHE A 36 -2.170 -3.128 -11.251 1.00 0.00 O ATOM 608 CB PHE A 36 -1.633 -4.539 -8.784 1.00 0.00 C ATOM 609 CG PHE A 36 -1.370 -4.978 -7.342 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.101 -5.242 -6.932 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.407 -5.103 -6.470 1.00 0.00 C ATOM 612 CE1 PHE A 36 0.143 -5.649 -5.593 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.163 -5.510 -5.131 1.00 0.00 C ATOM 614 CZ PHE A 36 -0.894 -5.774 -4.721 1.00 0.00 C ATOM 0 H PHE A 36 -1.266 -1.623 -7.765 1.00 0.00 H new ATOM 0 HA PHE A 36 0.026 -3.118 -8.850 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.710 -4.496 -8.949 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.236 -5.295 -9.461 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.722 -5.142 -7.624 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.415 -4.893 -6.796 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.151 -5.859 -5.267 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.986 -5.610 -4.439 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.709 -6.083 -3.703 1.00 0.00 H new ATOM 624 N GLY A 37 0.043 -2.664 -11.242 1.00 0.00 N ATOM 625 CA GLY A 37 0.116 -2.446 -12.677 1.00 0.00 C ATOM 626 C GLY A 37 0.174 -0.952 -13.003 1.00 0.00 C ATOM 627 O GLY A 37 0.205 -0.569 -14.171 1.00 0.00 O ATOM 0 H GLY A 37 0.928 -2.548 -10.747 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.998 -2.944 -13.080 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.752 -2.894 -13.161 1.00 0.00 H new ATOM 631 N ARG A 38 0.187 -0.150 -11.949 1.00 0.00 N ATOM 632 CA ARG A 38 0.241 1.294 -12.108 1.00 0.00 C ATOM 633 C ARG A 38 1.535 1.846 -11.508 1.00 0.00 C ATOM 634 O ARG A 38 2.435 1.085 -11.155 1.00 0.00 O ATOM 635 CB ARG A 38 -0.955 1.967 -11.432 1.00 0.00 C ATOM 636 CG ARG A 38 -1.981 2.432 -12.468 1.00 0.00 C ATOM 637 CD ARG A 38 -1.411 3.552 -13.339 1.00 0.00 C ATOM 638 NE ARG A 38 -2.367 3.891 -14.417 1.00 0.00 N ATOM 639 CZ ARG A 38 -3.391 4.744 -14.274 1.00 0.00 C ATOM 640 NH1 ARG A 38 -3.597 5.350 -13.097 1.00 0.00 N ATOM 641 NH2 ARG A 38 -4.207 4.990 -15.307 1.00 0.00 N ATOM 0 H ARG A 38 0.161 -0.472 -10.982 1.00 0.00 H new ATOM 0 HA ARG A 38 0.210 1.512 -13.176 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.424 1.270 -10.738 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.613 2.820 -10.845 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.275 1.591 -13.097 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.881 2.782 -11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.211 4.433 -12.729 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.460 3.240 -13.770 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.238 3.447 -15.326 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.975 5.162 -12.311 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.376 5.999 -12.987 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.049 4.528 -16.203 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.986 5.639 -15.198 1.00 0.00 H new ATOM 655 N HIS A 39 1.589 3.166 -11.411 1.00 0.00 N ATOM 656 CA HIS A 39 2.758 3.829 -10.860 1.00 0.00 C ATOM 657 C HIS A 39 2.423 4.397 -9.479 1.00 0.00 C ATOM 658 O HIS A 39 1.286 4.791 -9.225 1.00 0.00 O ATOM 659 CB HIS A 39 3.286 4.892 -11.825 1.00 0.00 C ATOM 660 CG HIS A 39 4.483 4.449 -12.632 1.00 0.00 C ATOM 661 ND1 HIS A 39 4.648 4.771 -13.968 1.00 0.00 N ATOM 662 CD2 HIS A 39 5.572 3.707 -12.277 1.00 0.00 C ATOM 663 CE1 HIS A 39 5.787 4.241 -14.388 1.00 0.00 C ATOM 664 NE2 HIS A 39 6.358 3.582 -13.339 1.00 0.00 N ATOM 0 H HIS A 39 0.841 3.795 -11.705 1.00 0.00 H new ATOM 0 HA HIS A 39 3.563 3.106 -10.732 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.486 5.178 -12.508 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.553 5.783 -11.257 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.762 3.292 -11.298 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.193 4.317 -15.386 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.243 3.076 -13.366 1.00 0.00 H new ATOM 672 N SER A 40 3.434 4.420 -8.623 1.00 0.00 N ATOM 673 CA SER A 40 3.261 4.933 -7.274 1.00 0.00 C ATOM 674 C SER A 40 2.402 6.199 -7.302 1.00 0.00 C ATOM 675 O SER A 40 2.789 7.203 -7.897 1.00 0.00 O ATOM 676 CB SER A 40 4.612 5.223 -6.618 1.00 0.00 C ATOM 677 OG SER A 40 5.056 6.553 -6.875 1.00 0.00 O ATOM 0 H SER A 40 4.376 4.092 -8.837 1.00 0.00 H new ATOM 0 HA SER A 40 2.755 4.171 -6.680 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.533 5.069 -5.542 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.354 4.515 -6.988 1.00 0.00 H new ATOM 0 HG SER A 40 4.719 7.151 -6.176 1.00 0.00 H new ATOM 683 N GLY A 41 1.252 6.109 -6.650 1.00 0.00 N ATOM 684 CA GLY A 41 0.335 7.235 -6.592 1.00 0.00 C ATOM 685 C GLY A 41 -0.868 7.009 -7.510 1.00 0.00 C ATOM 686 O GLY A 41 -0.799 7.281 -8.708 1.00 0.00 O ATOM 0 H GLY A 41 0.934 5.274 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.007 7.378 -5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.854 8.147 -6.885 1.00 0.00 H new ATOM 690 N GLN A 42 -1.943 6.515 -6.914 1.00 0.00 N ATOM 691 CA GLN A 42 -3.159 6.250 -7.663 1.00 0.00 C ATOM 692 C GLN A 42 -4.383 6.716 -6.871 1.00 0.00 C ATOM 693 O GLN A 42 -5.517 6.422 -7.244 1.00 0.00 O ATOM 694 CB GLN A 42 -3.271 4.766 -8.021 1.00 0.00 C ATOM 695 CG GLN A 42 -2.013 4.281 -8.744 1.00 0.00 C ATOM 696 CD GLN A 42 -2.069 2.772 -8.988 1.00 0.00 C ATOM 697 OE1 GLN A 42 -3.066 2.224 -9.429 1.00 0.00 O ATOM 698 NE2 GLN A 42 -0.945 2.132 -8.677 1.00 0.00 N ATOM 0 H GLN A 42 -1.997 6.291 -5.920 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.117 6.813 -8.595 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.423 4.180 -7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.144 4.606 -8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.912 4.803 -9.695 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.132 4.525 -8.151 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.147 2.651 -8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.882 1.122 -8.804 1.00 0.00 H new ATOM 707 N ALA A 43 -4.110 7.435 -5.791 1.00 0.00 N ATOM 708 CA ALA A 43 -5.174 7.944 -4.943 1.00 0.00 C ATOM 709 C ALA A 43 -5.882 9.097 -5.658 1.00 0.00 C ATOM 710 O ALA A 43 -6.910 9.584 -5.190 1.00 0.00 O ATOM 711 CB ALA A 43 -4.594 8.364 -3.592 1.00 0.00 C ATOM 0 H ALA A 43 -3.168 7.677 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.916 7.169 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.393 8.746 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.129 7.503 -3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.847 9.143 -3.743 1.00 0.00 H new ATOM 717 N GLU A 44 -5.303 9.501 -6.779 1.00 0.00 N ATOM 718 CA GLU A 44 -5.865 10.588 -7.563 1.00 0.00 C ATOM 719 C GLU A 44 -6.488 11.639 -6.642 1.00 0.00 C ATOM 720 O GLU A 44 -7.686 11.597 -6.367 1.00 0.00 O ATOM 721 CB GLU A 44 -6.891 10.064 -8.570 1.00 0.00 C ATOM 722 CG GLU A 44 -7.483 11.208 -9.395 1.00 0.00 C ATOM 723 CD GLU A 44 -8.945 11.457 -9.018 1.00 0.00 C ATOM 724 OE1 GLU A 44 -9.674 10.451 -8.878 1.00 0.00 O ATOM 725 OE2 GLU A 44 -9.301 12.647 -8.878 1.00 0.00 O ATOM 0 H GLU A 44 -4.450 9.095 -7.163 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.059 11.058 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.418 9.340 -9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.689 9.540 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.902 12.116 -9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.413 10.970 -10.456 1.00 0.00 H new ATOM 732 N GLY A 45 -5.646 12.558 -6.191 1.00 0.00 N ATOM 733 CA GLY A 45 -6.099 13.618 -5.307 1.00 0.00 C ATOM 734 C GLY A 45 -4.975 14.072 -4.374 1.00 0.00 C ATOM 735 O GLY A 45 -4.748 15.269 -4.206 1.00 0.00 O ATOM 0 H GLY A 45 -4.653 12.590 -6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.450 14.464 -5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.946 13.268 -4.718 1.00 0.00 H new ATOM 739 N TYR A 46 -4.301 13.091 -3.791 1.00 0.00 N ATOM 740 CA TYR A 46 -3.206 13.374 -2.879 1.00 0.00 C ATOM 741 C TYR A 46 -1.884 13.513 -3.637 1.00 0.00 C ATOM 742 O TYR A 46 -1.563 12.687 -4.490 1.00 0.00 O ATOM 743 CB TYR A 46 -3.118 12.170 -1.940 1.00 0.00 C ATOM 744 CG TYR A 46 -2.907 12.542 -0.470 1.00 0.00 C ATOM 745 CD1 TYR A 46 -3.986 12.889 0.315 1.00 0.00 C ATOM 746 CD2 TYR A 46 -1.636 12.529 0.069 1.00 0.00 C ATOM 747 CE1 TYR A 46 -3.788 13.239 1.698 1.00 0.00 C ATOM 748 CE2 TYR A 46 -1.438 12.879 1.451 1.00 0.00 C ATOM 749 CZ TYR A 46 -2.523 13.216 2.198 1.00 0.00 C ATOM 750 OH TYR A 46 -2.336 13.547 3.504 1.00 0.00 O ATOM 0 H TYR A 46 -4.492 12.099 -3.933 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.382 14.308 -2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.034 11.585 -2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.298 11.529 -2.263 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.980 12.898 -0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.791 12.256 -0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.624 13.513 2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.449 12.874 1.885 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.383 13.486 3.724 1.00 0.00 H new ATOM 760 N SER A 47 -1.151 14.563 -3.297 1.00 0.00 N ATOM 761 CA SER A 47 0.129 14.821 -3.934 1.00 0.00 C ATOM 762 C SER A 47 1.220 13.972 -3.278 1.00 0.00 C ATOM 763 O SER A 47 2.403 14.141 -3.571 1.00 0.00 O ATOM 764 CB SER A 47 0.494 16.305 -3.858 1.00 0.00 C ATOM 765 OG SER A 47 1.774 16.569 -4.424 1.00 0.00 O ATOM 0 H SER A 47 -1.419 15.245 -2.588 1.00 0.00 H new ATOM 0 HA SER A 47 0.048 14.548 -4.986 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.262 16.891 -4.381 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.484 16.628 -2.817 1.00 0.00 H new ATOM 0 HG SER A 47 2.373 15.815 -4.244 1.00 0.00 H new ATOM 771 N TYR A 48 0.784 13.077 -2.404 1.00 0.00 N ATOM 772 CA TYR A 48 1.708 12.202 -1.704 1.00 0.00 C ATOM 773 C TYR A 48 2.935 12.976 -1.218 1.00 0.00 C ATOM 774 O TYR A 48 2.954 14.205 -1.258 1.00 0.00 O ATOM 775 CB TYR A 48 2.154 11.155 -2.727 1.00 0.00 C ATOM 776 CG TYR A 48 1.180 9.985 -2.884 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.166 10.228 -3.069 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.648 8.687 -2.841 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.082 9.127 -3.217 1.00 0.00 C ATOM 780 CE2 TYR A 48 0.731 7.586 -2.989 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.588 7.860 -3.170 1.00 0.00 C ATOM 782 OH TYR A 48 -1.454 6.821 -3.310 1.00 0.00 O ATOM 0 H TYR A 48 -0.198 12.939 -2.165 1.00 0.00 H new ATOM 0 HA TYR A 48 1.229 11.758 -0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.283 11.639 -3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.129 10.766 -2.433 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.532 11.244 -3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.701 8.497 -2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.138 9.303 -3.362 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.084 6.566 -2.957 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.201 6.288 -4.092 1.00 0.00 H new ATOM 792 N THR A 49 3.930 12.225 -0.769 1.00 0.00 N ATOM 793 CA THR A 49 5.158 12.825 -0.276 1.00 0.00 C ATOM 794 C THR A 49 6.232 12.813 -1.365 1.00 0.00 C ATOM 795 O THR A 49 5.964 12.432 -2.503 1.00 0.00 O ATOM 796 CB THR A 49 5.571 12.079 0.994 1.00 0.00 C ATOM 797 OG1 THR A 49 5.928 10.779 0.533 1.00 0.00 O ATOM 798 CG2 THR A 49 4.392 11.829 1.937 1.00 0.00 C ATOM 0 H THR A 49 3.911 11.206 -0.736 1.00 0.00 H new ATOM 0 HA THR A 49 5.011 13.874 -0.021 1.00 0.00 H new ATOM 0 HB THR A 49 6.338 12.650 1.516 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.211 10.229 1.293 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.740 11.297 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.956 12.782 2.235 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.638 11.229 1.426 1.00 0.00 H new ATOM 806 N ASP A 50 7.427 13.235 -0.977 1.00 0.00 N ATOM 807 CA ASP A 50 8.543 13.278 -1.906 1.00 0.00 C ATOM 808 C ASP A 50 9.333 11.971 -1.808 1.00 0.00 C ATOM 809 O ASP A 50 10.527 11.939 -2.100 1.00 0.00 O ATOM 810 CB ASP A 50 9.493 14.430 -1.572 1.00 0.00 C ATOM 811 CG ASP A 50 9.579 15.526 -2.636 1.00 0.00 C ATOM 812 OD1 ASP A 50 8.547 16.202 -2.839 1.00 0.00 O ATOM 813 OD2 ASP A 50 10.674 15.664 -3.222 1.00 0.00 O ATOM 0 H ASP A 50 7.646 13.550 -0.032 1.00 0.00 H new ATOM 0 HA ASP A 50 8.142 13.420 -2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.176 14.881 -0.632 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.491 14.023 -1.410 1.00 0.00 H new ATOM 818 N ALA A 51 8.633 10.924 -1.397 1.00 0.00 N ATOM 819 CA ALA A 51 9.253 9.617 -1.257 1.00 0.00 C ATOM 820 C ALA A 51 8.600 8.640 -2.237 1.00 0.00 C ATOM 821 O ALA A 51 9.286 8.012 -3.042 1.00 0.00 O ATOM 822 CB ALA A 51 9.139 9.150 0.195 1.00 0.00 C ATOM 0 H ALA A 51 7.642 10.954 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 51 10.314 9.668 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.604 8.170 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.644 9.863 0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.088 9.084 0.475 1.00 0.00 H new ATOM 828 N ASN A 52 7.283 8.542 -2.135 1.00 0.00 N ATOM 829 CA ASN A 52 6.530 7.652 -3.002 1.00 0.00 C ATOM 830 C ASN A 52 6.651 8.133 -4.450 1.00 0.00 C ATOM 831 O ASN A 52 7.475 7.626 -5.209 1.00 0.00 O ATOM 832 CB ASN A 52 5.046 7.645 -2.630 1.00 0.00 C ATOM 833 CG ASN A 52 4.213 6.946 -3.706 1.00 0.00 C ATOM 834 OD1 ASN A 52 3.915 7.497 -4.753 1.00 0.00 O ATOM 835 ND2 ASN A 52 3.856 5.704 -3.391 1.00 0.00 N ATOM 0 H ASN A 52 6.718 9.064 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 52 6.936 6.647 -2.886 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.910 7.139 -1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.695 8.669 -2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.299 5.152 -4.044 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.139 5.303 -2.497 1.00 0.00 H new ATOM 842 N ILE A 53 5.819 9.107 -4.788 1.00 0.00 N ATOM 843 CA ILE A 53 5.823 9.662 -6.131 1.00 0.00 C ATOM 844 C ILE A 53 7.263 9.745 -6.639 1.00 0.00 C ATOM 845 O ILE A 53 7.518 9.548 -7.827 1.00 0.00 O ATOM 846 CB ILE A 53 5.083 11.001 -6.158 1.00 0.00 C ATOM 847 CG1 ILE A 53 3.569 10.790 -6.217 1.00 0.00 C ATOM 848 CG2 ILE A 53 5.584 11.881 -7.306 1.00 0.00 C ATOM 849 CD1 ILE A 53 2.822 12.105 -5.980 1.00 0.00 C ATOM 0 H ILE A 53 5.138 9.526 -4.155 1.00 0.00 H new ATOM 0 HA ILE A 53 5.281 9.010 -6.815 1.00 0.00 H new ATOM 0 HB ILE A 53 5.298 11.529 -5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.293 10.381 -7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.271 10.058 -5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.042 12.827 -7.303 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.649 12.073 -7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.418 11.371 -8.255 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.748 11.927 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.082 12.499 -4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.104 12.827 -6.746 1.00 0.00 H new ATOM 861 N LYS A 54 8.167 10.035 -5.716 1.00 0.00 N ATOM 862 CA LYS A 54 9.576 10.146 -6.056 1.00 0.00 C ATOM 863 C LYS A 54 10.225 8.763 -5.981 1.00 0.00 C ATOM 864 O LYS A 54 11.299 8.608 -5.403 1.00 0.00 O ATOM 865 CB LYS A 54 10.259 11.195 -5.176 1.00 0.00 C ATOM 866 CG LYS A 54 9.556 12.549 -5.291 1.00 0.00 C ATOM 867 CD LYS A 54 10.109 13.355 -6.468 1.00 0.00 C ATOM 868 CE LYS A 54 9.589 14.794 -6.439 1.00 0.00 C ATOM 869 NZ LYS A 54 10.703 15.751 -6.623 1.00 0.00 N ATOM 0 H LYS A 54 7.952 10.197 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 54 9.694 10.498 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.251 10.864 -4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.304 11.297 -5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.485 12.397 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.688 13.111 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.198 13.357 -6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.822 12.880 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.847 14.935 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.089 14.987 -5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.333 16.723 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.397 15.627 -5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.163 15.576 -7.539 1.00 0.00 H new ATOM 883 N LYS A 55 9.544 7.792 -6.573 1.00 0.00 N ATOM 884 CA LYS A 55 10.041 6.427 -6.580 1.00 0.00 C ATOM 885 C LYS A 55 9.611 5.739 -7.877 1.00 0.00 C ATOM 886 O LYS A 55 10.442 5.180 -8.592 1.00 0.00 O ATOM 887 CB LYS A 55 9.596 5.688 -5.316 1.00 0.00 C ATOM 888 CG LYS A 55 10.590 4.585 -4.947 1.00 0.00 C ATOM 889 CD LYS A 55 11.722 5.136 -4.077 1.00 0.00 C ATOM 890 CE LYS A 55 13.027 5.230 -4.871 1.00 0.00 C ATOM 891 NZ LYS A 55 13.596 3.883 -5.095 1.00 0.00 N ATOM 0 H LYS A 55 8.653 7.924 -7.051 1.00 0.00 H new ATOM 0 HA LYS A 55 11.131 6.419 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.507 6.394 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.608 5.255 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.072 3.787 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.005 4.146 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.449 6.122 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.865 4.492 -3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.843 5.717 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.744 5.849 -4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.581 3.971 -5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.570 3.343 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.038 3.386 -5.818 1.00 0.00 H new ATOM 905 N ASN A 56 8.314 5.802 -8.142 1.00 0.00 N ATOM 906 CA ASN A 56 7.764 5.193 -9.341 1.00 0.00 C ATOM 907 C ASN A 56 7.634 3.683 -9.126 1.00 0.00 C ATOM 908 O ASN A 56 7.767 2.905 -10.070 1.00 0.00 O ATOM 909 CB ASN A 56 8.680 5.422 -10.545 1.00 0.00 C ATOM 910 CG ASN A 56 7.882 5.909 -11.756 1.00 0.00 C ATOM 911 OD1 ASN A 56 8.004 5.400 -12.858 1.00 0.00 O ATOM 912 ND2 ASN A 56 7.060 6.920 -11.491 1.00 0.00 N ATOM 0 H ASN A 56 7.628 6.266 -7.546 1.00 0.00 H new ATOM 0 HA ASN A 56 6.793 5.648 -9.536 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.445 6.155 -10.290 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.197 4.496 -10.794 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.483 7.316 -12.233 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.006 7.299 -10.546 1.00 0.00 H new ATOM 919 N VAL A 57 7.376 3.315 -7.880 1.00 0.00 N ATOM 920 CA VAL A 57 7.226 1.913 -7.530 1.00 0.00 C ATOM 921 C VAL A 57 6.059 1.316 -8.319 1.00 0.00 C ATOM 922 O VAL A 57 4.940 1.237 -7.814 1.00 0.00 O ATOM 923 CB VAL A 57 7.061 1.766 -6.016 1.00 0.00 C ATOM 924 CG1 VAL A 57 5.956 2.686 -5.493 1.00 0.00 C ATOM 925 CG2 VAL A 57 6.790 0.310 -5.633 1.00 0.00 C ATOM 0 H VAL A 57 7.267 3.963 -7.100 1.00 0.00 H new ATOM 0 HA VAL A 57 8.122 1.354 -7.802 1.00 0.00 H new ATOM 0 HB VAL A 57 7.997 2.067 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.859 2.562 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.209 3.722 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.012 2.430 -5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.677 0.233 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.875 -0.030 -6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.625 -0.312 -5.955 1.00 0.00 H new ATOM 935 N LEU A 58 6.360 0.912 -9.544 1.00 0.00 N ATOM 936 CA LEU A 58 5.349 0.325 -10.408 1.00 0.00 C ATOM 937 C LEU A 58 4.852 -0.983 -9.789 1.00 0.00 C ATOM 938 O LEU A 58 5.434 -2.043 -10.018 1.00 0.00 O ATOM 939 CB LEU A 58 5.888 0.166 -11.831 1.00 0.00 C ATOM 940 CG LEU A 58 4.839 -0.040 -12.926 1.00 0.00 C ATOM 941 CD1 LEU A 58 4.317 1.302 -13.445 1.00 0.00 C ATOM 942 CD2 LEU A 58 5.388 -0.916 -14.054 1.00 0.00 C ATOM 0 H LEU A 58 7.289 0.979 -9.959 1.00 0.00 H new ATOM 0 HA LEU A 58 4.487 0.987 -10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.473 1.052 -12.078 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.572 -0.682 -11.847 1.00 0.00 H new ATOM 0 HG LEU A 58 3.991 -0.569 -12.491 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.573 1.127 -14.222 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.861 1.857 -12.625 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.144 1.879 -13.858 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.622 -1.047 -14.819 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.263 -0.437 -14.494 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.671 -1.890 -13.654 1.00 0.00 H new ATOM 954 N TRP A 59 3.782 -0.866 -9.016 1.00 0.00 N ATOM 955 CA TRP A 59 3.201 -2.026 -8.362 1.00 0.00 C ATOM 956 C TRP A 59 2.918 -3.081 -9.434 1.00 0.00 C ATOM 957 O TRP A 59 2.699 -2.746 -10.597 1.00 0.00 O ATOM 958 CB TRP A 59 1.956 -1.638 -7.563 1.00 0.00 C ATOM 959 CG TRP A 59 2.108 -0.341 -6.764 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.516 0.840 -6.988 1.00 0.00 C ATOM 961 CD2 TRP A 59 2.933 -0.142 -5.597 1.00 0.00 C ATOM 962 NE1 TRP A 59 1.898 1.782 -6.054 1.00 0.00 N ATOM 963 CE2 TRP A 59 2.787 1.166 -5.182 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.776 -1.038 -4.915 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.452 1.696 -4.070 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.433 -0.492 -3.806 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.297 0.822 -3.375 1.00 0.00 C ATOM 0 H TRP A 59 3.302 0.014 -8.828 1.00 0.00 H new ATOM 0 HA TRP A 59 3.895 -2.446 -7.634 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.115 -1.534 -8.248 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.710 -2.449 -6.877 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.827 1.031 -7.797 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.585 2.752 -6.012 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.906 -2.065 -5.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.320 2.724 -3.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.092 -1.138 -3.246 1.00 0.00 H new ATOM 0 HH2 TRP A 59 4.840 1.168 -2.508 1.00 0.00 H new ATOM 978 N ASP A 60 2.933 -4.334 -9.004 1.00 0.00 N ATOM 979 CA ASP A 60 2.681 -5.440 -9.912 1.00 0.00 C ATOM 980 C ASP A 60 2.199 -6.651 -9.112 1.00 0.00 C ATOM 981 O ASP A 60 1.068 -7.103 -9.283 1.00 0.00 O ATOM 982 CB ASP A 60 3.955 -5.841 -10.657 1.00 0.00 C ATOM 983 CG ASP A 60 3.766 -6.919 -11.727 1.00 0.00 C ATOM 984 OD1 ASP A 60 3.552 -8.084 -11.327 1.00 0.00 O ATOM 985 OD2 ASP A 60 3.841 -6.554 -12.920 1.00 0.00 O ATOM 0 H ASP A 60 3.116 -4.608 -8.039 1.00 0.00 H new ATOM 0 HA ASP A 60 1.928 -5.121 -10.632 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.377 -4.953 -11.128 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.686 -6.195 -9.931 1.00 0.00 H new ATOM 990 N GLU A 61 3.082 -7.144 -8.255 1.00 0.00 N ATOM 991 CA GLU A 61 2.761 -8.295 -7.428 1.00 0.00 C ATOM 992 C GLU A 61 3.805 -8.461 -6.322 1.00 0.00 C ATOM 993 O GLU A 61 3.503 -8.270 -5.145 1.00 0.00 O ATOM 994 CB GLU A 61 2.652 -9.565 -8.275 1.00 0.00 C ATOM 995 CG GLU A 61 2.303 -10.774 -7.405 1.00 0.00 C ATOM 996 CD GLU A 61 2.633 -12.082 -8.128 1.00 0.00 C ATOM 997 OE1 GLU A 61 3.838 -12.410 -8.184 1.00 0.00 O ATOM 998 OE2 GLU A 61 1.674 -12.724 -8.607 1.00 0.00 O ATOM 0 H GLU A 61 4.020 -6.767 -8.116 1.00 0.00 H new ATOM 0 HA GLU A 61 1.791 -8.124 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.889 -9.431 -9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.595 -9.744 -8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.855 -10.723 -6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.243 -10.751 -7.152 1.00 0.00 H new ATOM 1005 N ASN A 62 5.012 -8.815 -6.740 1.00 0.00 N ATOM 1006 CA ASN A 62 6.102 -9.010 -5.799 1.00 0.00 C ATOM 1007 C ASN A 62 6.683 -7.649 -5.410 1.00 0.00 C ATOM 1008 O ASN A 62 6.995 -7.414 -4.244 1.00 0.00 O ATOM 1009 CB ASN A 62 7.224 -9.842 -6.421 1.00 0.00 C ATOM 1010 CG ASN A 62 7.541 -9.364 -7.839 1.00 0.00 C ATOM 1011 OD1 ASN A 62 6.965 -9.813 -8.817 1.00 0.00 O ATOM 1012 ND2 ASN A 62 8.486 -8.430 -7.897 1.00 0.00 N ATOM 0 H ASN A 62 5.259 -8.972 -7.717 1.00 0.00 H new ATOM 0 HA ASN A 62 5.706 -9.532 -4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.118 -9.773 -5.802 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.933 -10.892 -6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.769 -8.046 -8.799 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.928 -8.098 -7.040 1.00 0.00 H new ATOM 1019 N ASN A 63 6.810 -6.788 -6.409 1.00 0.00 N ATOM 1020 CA ASN A 63 7.348 -5.457 -6.186 1.00 0.00 C ATOM 1021 C ASN A 63 6.711 -4.858 -4.930 1.00 0.00 C ATOM 1022 O ASN A 63 7.415 -4.414 -4.025 1.00 0.00 O ATOM 1023 CB ASN A 63 7.033 -4.531 -7.363 1.00 0.00 C ATOM 1024 CG ASN A 63 7.415 -3.085 -7.041 1.00 0.00 C ATOM 1025 OD1 ASN A 63 8.386 -2.810 -6.355 1.00 0.00 O ATOM 1026 ND2 ASN A 63 6.599 -2.179 -7.572 1.00 0.00 N ATOM 0 H ASN A 63 6.549 -6.986 -7.375 1.00 0.00 H new ATOM 0 HA ASN A 63 8.429 -5.545 -6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.574 -4.865 -8.248 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.970 -4.586 -7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.768 -1.186 -7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.804 -2.478 -8.137 1.00 0.00 H new ATOM 1033 N MET A 64 5.386 -4.865 -4.916 1.00 0.00 N ATOM 1034 CA MET A 64 4.647 -4.328 -3.787 1.00 0.00 C ATOM 1035 C MET A 64 4.963 -5.103 -2.506 1.00 0.00 C ATOM 1036 O MET A 64 5.077 -4.515 -1.432 1.00 0.00 O ATOM 1037 CB MET A 64 3.146 -4.408 -4.074 1.00 0.00 C ATOM 1038 CG MET A 64 2.371 -3.399 -3.225 1.00 0.00 C ATOM 1039 SD MET A 64 0.734 -4.021 -2.880 1.00 0.00 S ATOM 1040 CE MET A 64 -0.196 -3.164 -4.139 1.00 0.00 C ATOM 0 H MET A 64 4.805 -5.234 -5.669 1.00 0.00 H new ATOM 0 HA MET A 64 4.944 -3.289 -3.644 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.964 -4.215 -5.131 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.786 -5.416 -3.867 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.902 -3.213 -2.292 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.304 -2.446 -3.749 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.245 -3.454 -4.077 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.107 -2.088 -3.988 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.195 -3.426 -5.122 1.00 0.00 H new ATOM 1050 N SER A 65 5.096 -6.412 -2.662 1.00 0.00 N ATOM 1051 CA SER A 65 5.396 -7.274 -1.532 1.00 0.00 C ATOM 1052 C SER A 65 6.671 -6.795 -0.833 1.00 0.00 C ATOM 1053 O SER A 65 6.663 -6.533 0.369 1.00 0.00 O ATOM 1054 CB SER A 65 5.549 -8.730 -1.975 1.00 0.00 C ATOM 1055 OG SER A 65 5.003 -9.638 -1.022 1.00 0.00 O ATOM 0 H SER A 65 5.001 -6.897 -3.555 1.00 0.00 H new ATOM 0 HA SER A 65 4.563 -7.222 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.053 -8.871 -2.935 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.605 -8.954 -2.126 1.00 0.00 H new ATOM 0 HG SER A 65 5.119 -10.557 -1.342 1.00 0.00 H new ATOM 1061 N GLU A 66 7.735 -6.695 -1.616 1.00 0.00 N ATOM 1062 CA GLU A 66 9.014 -6.252 -1.088 1.00 0.00 C ATOM 1063 C GLU A 66 8.846 -4.937 -0.324 1.00 0.00 C ATOM 1064 O GLU A 66 9.571 -4.675 0.635 1.00 0.00 O ATOM 1065 CB GLU A 66 10.049 -6.109 -2.205 1.00 0.00 C ATOM 1066 CG GLU A 66 11.465 -6.342 -1.674 1.00 0.00 C ATOM 1067 CD GLU A 66 12.353 -5.122 -1.927 1.00 0.00 C ATOM 1068 OE1 GLU A 66 12.788 -4.967 -3.088 1.00 0.00 O ATOM 1069 OE2 GLU A 66 12.576 -4.371 -0.952 1.00 0.00 O ATOM 0 H GLU A 66 7.738 -6.913 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 66 9.380 -7.009 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.833 -6.823 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.981 -5.114 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.426 -6.553 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.899 -7.218 -2.156 1.00 0.00 H new ATOM 1076 N TYR A 67 7.885 -4.145 -0.777 1.00 0.00 N ATOM 1077 CA TYR A 67 7.613 -2.864 -0.148 1.00 0.00 C ATOM 1078 C TYR A 67 6.717 -3.035 1.081 1.00 0.00 C ATOM 1079 O TYR A 67 7.097 -2.655 2.188 1.00 0.00 O ATOM 1080 CB TYR A 67 6.869 -2.031 -1.194 1.00 0.00 C ATOM 1081 CG TYR A 67 5.982 -0.934 -0.600 1.00 0.00 C ATOM 1082 CD1 TYR A 67 6.539 0.264 -0.203 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.625 -1.144 -0.460 1.00 0.00 C ATOM 1084 CE1 TYR A 67 5.704 1.296 0.356 1.00 0.00 C ATOM 1085 CE2 TYR A 67 3.790 -0.113 0.099 1.00 0.00 C ATOM 1086 CZ TYR A 67 4.371 1.057 0.479 1.00 0.00 C ATOM 1087 OH TYR A 67 3.583 2.031 1.007 1.00 0.00 O ATOM 0 H TYR A 67 7.285 -4.366 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 67 8.540 -2.393 0.181 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.597 -1.573 -1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.252 -2.694 -1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.601 0.428 -0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.189 -2.082 -0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.127 2.239 0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.727 -0.265 0.214 1.00 0.00 H new ATOM 0 HH TYR A 67 3.066 1.664 1.755 1.00 0.00 H new ATOM 1097 N LEU A 68 5.546 -3.608 0.845 1.00 0.00 N ATOM 1098 CA LEU A 68 4.594 -3.834 1.919 1.00 0.00 C ATOM 1099 C LEU A 68 5.343 -4.299 3.169 1.00 0.00 C ATOM 1100 O LEU A 68 5.077 -3.821 4.271 1.00 0.00 O ATOM 1101 CB LEU A 68 3.495 -4.798 1.466 1.00 0.00 C ATOM 1102 CG LEU A 68 2.543 -4.272 0.390 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.444 -5.292 0.084 1.00 0.00 C ATOM 1104 CD2 LEU A 68 1.968 -2.911 0.785 1.00 0.00 C ATOM 0 H LEU A 68 5.235 -3.922 -0.074 1.00 0.00 H new ATOM 0 HA LEU A 68 4.085 -2.906 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.967 -5.706 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.905 -5.081 2.338 1.00 0.00 H new ATOM 0 HG LEU A 68 3.112 -4.127 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.781 -4.893 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.896 -6.218 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.871 -5.492 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.295 -2.560 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.418 -3.006 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.781 -2.196 0.912 1.00 0.00 H new ATOM 1116 N THR A 69 6.265 -5.227 2.957 1.00 0.00 N ATOM 1117 CA THR A 69 7.055 -5.762 4.053 1.00 0.00 C ATOM 1118 C THR A 69 8.005 -4.693 4.597 1.00 0.00 C ATOM 1119 O THR A 69 8.135 -4.531 5.810 1.00 0.00 O ATOM 1120 CB THR A 69 7.774 -7.015 3.551 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.475 -7.495 4.694 1.00 0.00 O ATOM 1122 CG2 THR A 69 8.879 -6.692 2.544 1.00 0.00 C ATOM 0 H THR A 69 6.483 -5.622 2.042 1.00 0.00 H new ATOM 0 HA THR A 69 6.422 -6.048 4.893 1.00 0.00 H new ATOM 0 HB THR A 69 7.051 -7.689 3.092 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.968 -8.308 4.458 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.357 -7.616 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.448 -6.184 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.620 -6.045 3.013 1.00 0.00 H new ATOM 1130 N ASN A 70 8.646 -3.991 3.674 1.00 0.00 N ATOM 1131 CA ASN A 70 9.580 -2.943 4.045 1.00 0.00 C ATOM 1132 C ASN A 70 9.211 -1.652 3.311 1.00 0.00 C ATOM 1133 O ASN A 70 9.894 -1.251 2.371 1.00 0.00 O ATOM 1134 CB ASN A 70 11.011 -3.316 3.653 1.00 0.00 C ATOM 1135 CG ASN A 70 12.026 -2.666 4.596 1.00 0.00 C ATOM 1136 OD1 ASN A 70 11.711 -1.777 5.370 1.00 0.00 O ATOM 1137 ND2 ASN A 70 13.257 -3.157 4.487 1.00 0.00 N ATOM 0 H ASN A 70 8.536 -4.128 2.669 1.00 0.00 H new ATOM 0 HA ASN A 70 9.524 -2.810 5.125 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.128 -4.399 3.678 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.206 -2.998 2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.007 -2.789 5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.452 -3.902 3.818 1.00 0.00 H new ATOM 1144 N PRO A 71 8.101 -1.021 3.782 1.00 0.00 N ATOM 1145 CA PRO A 71 7.632 0.216 3.181 1.00 0.00 C ATOM 1146 C PRO A 71 8.518 1.394 3.589 1.00 0.00 C ATOM 1147 O PRO A 71 8.623 2.316 2.799 1.00 0.00 O ATOM 1148 CB PRO A 71 6.195 0.362 3.652 1.00 0.00 C ATOM 1149 CG PRO A 71 6.059 -0.545 4.864 1.00 0.00 C ATOM 1150 CD PRO A 71 7.267 -1.467 4.894 1.00 0.00 C ATOM 0 HA PRO A 71 7.680 0.200 2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.973 1.397 3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.496 0.073 2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.007 0.045 5.779 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.138 -1.125 4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.799 -1.392 5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.972 -2.510 4.775 1.00 0.00 H new HETATM 1158 N M3L A 72 9.085 1.281 4.780 1.00 0.00 N HETATM 1159 CA M3L A 72 9.939 2.347 5.346 1.00 0.00 C HETATM 1160 CB M3L A 72 10.034 2.145 6.872 1.00 0.00 C HETATM 1161 CG M3L A 72 8.791 2.854 7.410 1.00 0.00 C HETATM 1162 CD M3L A 72 8.508 2.502 8.882 1.00 0.00 C HETATM 1163 CE M3L A 72 9.088 3.663 9.714 1.00 0.00 C HETATM 1164 NZ M3L A 72 8.080 4.692 10.008 1.00 0.00 N HETATM 1165 C M3L A 72 11.345 2.439 4.815 1.00 0.00 C HETATM 1166 O M3L A 72 11.957 3.505 4.811 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.228 4.005 11.008 1.00 0.00 C HETATM 1168 CM2 M3L A 72 8.754 5.874 10.583 1.00 0.00 C HETATM 1169 CM3 M3L A 72 7.325 5.068 8.801 1.00 0.00 C HETATM 0 HM33 M3L A 72 8.011 5.462 8.051 1.00 0.00 H new HETATM 0 HM32 M3L A 72 6.816 4.191 8.402 1.00 0.00 H new HETATM 0 HM31 M3L A 72 6.589 5.830 9.055 1.00 0.00 H new HETATM 0 HM23 M3L A 72 9.267 5.589 11.501 1.00 0.00 H new HETATM 0 HM22 M3L A 72 9.479 6.263 9.868 1.00 0.00 H new HETATM 0 HM21 M3L A 72 8.014 6.643 10.804 1.00 0.00 H new HETATM 0 HM13 M3L A 72 6.804 3.103 10.566 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.830 3.735 11.875 1.00 0.00 H new HETATM 0 HM11 M3L A 72 6.423 4.671 11.319 1.00 0.00 H new HETATM 0 HG3 M3L A 72 8.921 3.932 7.315 1.00 0.00 H new HETATM 0 HG2 M3L A 72 7.928 2.582 6.802 1.00 0.00 H new HETATM 0 HE3 M3L A 72 9.490 3.273 10.649 1.00 0.00 H new HETATM 0 HE2 M3L A 72 9.920 4.115 9.174 1.00 0.00 H new HETATM 0 HD3 M3L A 72 7.438 2.392 9.058 1.00 0.00 H new HETATM 0 HD2 M3L A 72 8.975 1.555 9.154 1.00 0.00 H new HETATM 0 HB3 M3L A 72 10.038 1.088 7.136 1.00 0.00 H new HETATM 0 HB2 M3L A 72 10.949 2.578 7.277 1.00 0.00 H new HETATM 0 HA M3L A 72 9.449 3.274 5.048 1.00 0.00 H new HETATM 0 H M3L A 72 8.676 0.576 5.393 1.00 0.00 H new ATOM 1189 N LYS A 73 11.793 1.313 4.280 1.00 0.00 N ATOM 1190 CA LYS A 73 13.090 1.260 3.626 1.00 0.00 C ATOM 1191 C LYS A 73 12.918 1.567 2.137 1.00 0.00 C ATOM 1192 O LYS A 73 13.429 2.571 1.644 1.00 0.00 O ATOM 1193 CB LYS A 73 13.775 -0.080 3.902 1.00 0.00 C ATOM 1194 CG LYS A 73 15.295 0.047 3.782 1.00 0.00 C ATOM 1195 CD LYS A 73 15.792 -0.548 2.463 1.00 0.00 C ATOM 1196 CE LYS A 73 16.861 -1.614 2.710 1.00 0.00 C ATOM 1197 NZ LYS A 73 17.394 -2.122 1.426 1.00 0.00 N ATOM 0 H LYS A 73 11.282 0.431 4.286 1.00 0.00 H new ATOM 0 HA LYS A 73 13.754 2.022 4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.513 -0.427 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.412 -0.830 3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.582 1.097 3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.773 -0.463 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.955 -0.986 1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.201 0.243 1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.671 -1.194 3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.436 -2.437 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.118 -2.845 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.621 -2.542 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.818 -1.337 0.891 1.00 0.00 H new ATOM 1211 N TYR A 74 12.196 0.685 1.463 1.00 0.00 N ATOM 1212 CA TYR A 74 11.950 0.849 0.040 1.00 0.00 C ATOM 1213 C TYR A 74 11.634 2.308 -0.297 1.00 0.00 C ATOM 1214 O TYR A 74 12.269 2.899 -1.169 1.00 0.00 O ATOM 1215 CB TYR A 74 10.726 -0.012 -0.279 1.00 0.00 C ATOM 1216 CG TYR A 74 10.475 -0.206 -1.775 1.00 0.00 C ATOM 1217 CD1 TYR A 74 10.169 0.879 -2.570 1.00 0.00 C ATOM 1218 CD2 TYR A 74 10.555 -1.468 -2.330 1.00 0.00 C ATOM 1219 CE1 TYR A 74 9.932 0.696 -3.979 1.00 0.00 C ATOM 1220 CE2 TYR A 74 10.318 -1.651 -3.739 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.019 -0.560 -4.494 1.00 0.00 C ATOM 1222 OH TYR A 74 9.796 -0.733 -5.824 1.00 0.00 O ATOM 0 H TYR A 74 11.773 -0.146 1.876 1.00 0.00 H new ATOM 0 HA TYR A 74 12.828 0.558 -0.537 1.00 0.00 H new ATOM 0 HB2 TYR A 74 10.850 -0.989 0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.845 0.446 0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.107 1.866 -2.136 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.795 -2.317 -1.708 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.691 1.537 -4.612 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.376 -2.632 -4.186 1.00 0.00 H new ATOM 0 HH TYR A 74 9.229 -1.520 -5.961 1.00 0.00 H new ATOM 1232 N ILE A 75 10.653 2.846 0.412 1.00 0.00 N ATOM 1233 CA ILE A 75 10.245 4.225 0.199 1.00 0.00 C ATOM 1234 C ILE A 75 10.893 5.114 1.262 1.00 0.00 C ATOM 1235 O ILE A 75 10.529 5.050 2.436 1.00 0.00 O ATOM 1236 CB ILE A 75 8.719 4.331 0.156 1.00 0.00 C ATOM 1237 CG1 ILE A 75 8.137 3.424 -0.930 1.00 0.00 C ATOM 1238 CG2 ILE A 75 8.276 5.786 -0.014 1.00 0.00 C ATOM 1239 CD1 ILE A 75 8.359 4.022 -2.321 1.00 0.00 C ATOM 0 H ILE A 75 10.129 2.353 1.134 1.00 0.00 H new ATOM 0 HA ILE A 75 10.594 4.580 -0.770 1.00 0.00 H new ATOM 0 HB ILE A 75 8.325 3.983 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.602 2.440 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.070 3.282 -0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.187 5.834 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.644 6.379 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.680 6.183 -0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.936 3.358 -3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.872 4.995 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.428 4.140 -2.500 1.00 0.00 H new ATOM 1251 N PRO A 76 11.867 5.943 0.802 1.00 0.00 N ATOM 1252 CA PRO A 76 12.570 6.844 1.700 1.00 0.00 C ATOM 1253 C PRO A 76 11.688 8.035 2.082 1.00 0.00 C ATOM 1254 O PRO A 76 11.512 8.960 1.291 1.00 0.00 O ATOM 1255 CB PRO A 76 13.825 7.252 0.946 1.00 0.00 C ATOM 1256 CG PRO A 76 13.553 6.938 -0.517 1.00 0.00 C ATOM 1257 CD PRO A 76 12.324 6.045 -0.581 1.00 0.00 C ATOM 0 HA PRO A 76 12.827 6.375 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.037 8.312 1.085 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.694 6.703 1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.387 7.856 -1.080 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.411 6.439 -0.966 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.554 6.476 -1.221 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.568 5.065 -0.991 1.00 0.00 H new ATOM 1265 N GLY A 77 11.157 7.973 3.294 1.00 0.00 N ATOM 1266 CA GLY A 77 10.298 9.034 3.790 1.00 0.00 C ATOM 1267 C GLY A 77 8.831 8.751 3.462 1.00 0.00 C ATOM 1268 O GLY A 77 8.154 9.583 2.860 1.00 0.00 O ATOM 0 H GLY A 77 11.305 7.204 3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.421 9.132 4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.596 9.985 3.348 1.00 0.00 H new ATOM 1272 N THR A 78 8.382 7.574 3.872 1.00 0.00 N ATOM 1273 CA THR A 78 7.008 7.171 3.629 1.00 0.00 C ATOM 1274 C THR A 78 6.169 7.346 4.897 1.00 0.00 C ATOM 1275 O THR A 78 6.355 6.622 5.874 1.00 0.00 O ATOM 1276 CB THR A 78 7.022 5.734 3.104 1.00 0.00 C ATOM 1277 OG1 THR A 78 5.736 5.568 2.513 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.052 4.699 4.230 1.00 0.00 C ATOM 0 H THR A 78 8.946 6.886 4.371 1.00 0.00 H new ATOM 0 HA THR A 78 6.538 7.803 2.875 1.00 0.00 H new ATOM 0 HB THR A 78 7.889 5.592 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.659 4.663 2.145 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.061 3.696 3.802 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.948 4.844 4.834 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.169 4.818 4.857 1.00 0.00 H new ATOM 1286 N LYS A 79 5.262 8.310 4.840 1.00 0.00 N ATOM 1287 CA LYS A 79 4.394 8.589 5.971 1.00 0.00 C ATOM 1288 C LYS A 79 3.766 7.283 6.461 1.00 0.00 C ATOM 1289 O LYS A 79 3.364 7.179 7.618 1.00 0.00 O ATOM 1290 CB LYS A 79 3.369 9.666 5.607 1.00 0.00 C ATOM 1291 CG LYS A 79 2.576 10.106 6.839 1.00 0.00 C ATOM 1292 CD LYS A 79 1.383 10.978 6.440 1.00 0.00 C ATOM 1293 CE LYS A 79 0.428 11.173 7.619 1.00 0.00 C ATOM 1294 NZ LYS A 79 -0.341 9.934 7.873 1.00 0.00 N ATOM 0 H LYS A 79 5.109 8.908 4.028 1.00 0.00 H new ATOM 0 HA LYS A 79 4.970 8.997 6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.878 10.526 5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.687 9.282 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.224 9.229 7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.226 10.660 7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.738 11.948 6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.851 10.515 5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.992 11.447 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.255 11.996 7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.120 10.138 8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.730 9.577 6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.286 9.216 8.289 1.00 0.00 H new ATOM 1308 N MET A 80 3.702 6.318 5.555 1.00 0.00 N ATOM 1309 CA MET A 80 3.130 5.023 5.880 1.00 0.00 C ATOM 1310 C MET A 80 3.894 4.359 7.028 1.00 0.00 C ATOM 1311 O MET A 80 4.877 3.656 6.799 1.00 0.00 O ATOM 1312 CB MET A 80 3.176 4.119 4.646 1.00 0.00 C ATOM 1313 CG MET A 80 2.664 2.716 4.975 1.00 0.00 C ATOM 1314 SD MET A 80 2.234 1.855 3.471 1.00 0.00 S ATOM 1315 CE MET A 80 2.167 0.179 4.081 1.00 0.00 C ATOM 0 H MET A 80 4.037 6.408 4.596 1.00 0.00 H new ATOM 0 HA MET A 80 2.097 5.172 6.193 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.571 4.553 3.850 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.198 4.059 4.273 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.428 2.159 5.517 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.794 2.781 5.628 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.613 -0.442 3.378 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.180 -0.210 4.189 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.668 0.164 5.050 1.00 0.00 H new ATOM 1325 N ALA A 81 3.412 4.605 8.237 1.00 0.00 N ATOM 1326 CA ALA A 81 4.037 4.040 9.421 1.00 0.00 C ATOM 1327 C ALA A 81 3.383 2.696 9.745 1.00 0.00 C ATOM 1328 O ALA A 81 2.496 2.622 10.594 1.00 0.00 O ATOM 1329 CB ALA A 81 3.931 5.035 10.579 1.00 0.00 C ATOM 0 H ALA A 81 2.596 5.188 8.422 1.00 0.00 H new ATOM 0 HA ALA A 81 5.097 3.857 9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.400 4.611 11.467 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.437 5.962 10.309 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.881 5.241 10.786 1.00 0.00 H new ATOM 1335 N PHE A 82 3.846 1.666 9.052 1.00 0.00 N ATOM 1336 CA PHE A 82 3.317 0.328 9.256 1.00 0.00 C ATOM 1337 C PHE A 82 4.384 -0.601 9.840 1.00 0.00 C ATOM 1338 O PHE A 82 5.493 -0.686 9.314 1.00 0.00 O ATOM 1339 CB PHE A 82 2.895 -0.200 7.883 1.00 0.00 C ATOM 1340 CG PHE A 82 2.503 -1.679 7.879 1.00 0.00 C ATOM 1341 CD1 PHE A 82 1.590 -2.143 8.773 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.069 -2.529 6.980 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.226 -3.516 8.769 1.00 0.00 C ATOM 1344 CE2 PHE A 82 2.705 -3.902 6.976 1.00 0.00 C ATOM 1345 CZ PHE A 82 1.792 -4.366 7.870 1.00 0.00 C ATOM 0 H PHE A 82 4.582 1.731 8.349 1.00 0.00 H new ATOM 0 HA PHE A 82 2.481 0.361 9.954 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.053 0.390 7.522 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.714 -0.050 7.180 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.141 -1.468 9.486 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.794 -2.160 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.501 -3.885 9.479 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.154 -4.577 6.263 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.516 -5.410 7.867 1.00 0.00 H new ATOM 1355 N GLY A 83 4.012 -1.272 10.919 1.00 0.00 N ATOM 1356 CA GLY A 83 4.923 -2.191 11.580 1.00 0.00 C ATOM 1357 C GLY A 83 5.631 -3.088 10.563 1.00 0.00 C ATOM 1358 O GLY A 83 6.857 -3.070 10.461 1.00 0.00 O ATOM 0 H GLY A 83 3.092 -1.198 11.353 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.662 -1.629 12.151 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.372 -2.806 12.291 1.00 0.00 H new ATOM 1362 N GLY A 84 4.829 -3.851 9.835 1.00 0.00 N ATOM 1363 CA GLY A 84 5.364 -4.753 8.829 1.00 0.00 C ATOM 1364 C GLY A 84 4.857 -6.180 9.046 1.00 0.00 C ATOM 1365 O GLY A 84 4.860 -6.678 10.171 1.00 0.00 O ATOM 0 H GLY A 84 3.813 -3.863 9.922 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.076 -4.408 7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.453 -4.741 8.867 1.00 0.00 H new ATOM 1369 N LEU A 85 4.435 -6.797 7.953 1.00 0.00 N ATOM 1370 CA LEU A 85 3.926 -8.157 8.010 1.00 0.00 C ATOM 1371 C LEU A 85 5.045 -9.097 8.464 1.00 0.00 C ATOM 1372 O LEU A 85 4.957 -9.703 9.531 1.00 0.00 O ATOM 1373 CB LEU A 85 3.298 -8.551 6.672 1.00 0.00 C ATOM 1374 CG LEU A 85 2.120 -7.693 6.206 1.00 0.00 C ATOM 1375 CD1 LEU A 85 1.901 -7.835 4.698 1.00 0.00 C ATOM 1376 CD2 LEU A 85 0.855 -8.021 7.002 1.00 0.00 C ATOM 0 H LEU A 85 4.435 -6.380 7.022 1.00 0.00 H new ATOM 0 HA LEU A 85 3.126 -8.233 8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.072 -8.517 5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.963 -9.586 6.741 1.00 0.00 H new ATOM 0 HG LEU A 85 2.361 -6.648 6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.058 -7.215 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.798 -7.514 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.691 -8.877 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.033 -7.398 6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.599 -9.071 6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.031 -7.828 8.060 1.00 0.00 H new ATOM 1388 N LYS A 86 6.072 -9.188 7.632 1.00 0.00 N ATOM 1389 CA LYS A 86 7.207 -10.044 7.934 1.00 0.00 C ATOM 1390 C LYS A 86 6.888 -11.477 7.505 1.00 0.00 C ATOM 1391 O LYS A 86 7.666 -12.101 6.785 1.00 0.00 O ATOM 1392 CB LYS A 86 7.597 -9.915 9.408 1.00 0.00 C ATOM 1393 CG LYS A 86 9.117 -9.946 9.578 1.00 0.00 C ATOM 1394 CD LYS A 86 9.585 -8.841 10.528 1.00 0.00 C ATOM 1395 CE LYS A 86 10.996 -8.371 10.168 1.00 0.00 C ATOM 1396 NZ LYS A 86 11.649 -7.749 11.341 1.00 0.00 N ATOM 0 H LYS A 86 6.142 -8.683 6.749 1.00 0.00 H new ATOM 0 HA LYS A 86 8.083 -9.730 7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.201 -8.983 9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.147 -10.727 9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.423 -10.918 9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.598 -9.824 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.894 -7.999 10.481 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.571 -9.208 11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.590 -9.216 9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.949 -7.655 9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.606 -7.435 11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.090 -6.930 11.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.711 -8.443 12.113 1.00 0.00 H new ATOM 1410 N LYS A 87 5.742 -11.958 7.965 1.00 0.00 N ATOM 1411 CA LYS A 87 5.311 -13.306 7.638 1.00 0.00 C ATOM 1412 C LYS A 87 4.907 -13.364 6.164 1.00 0.00 C ATOM 1413 O LYS A 87 3.728 -13.238 5.834 1.00 0.00 O ATOM 1414 CB LYS A 87 4.210 -13.764 8.596 1.00 0.00 C ATOM 1415 CG LYS A 87 4.801 -14.239 9.925 1.00 0.00 C ATOM 1416 CD LYS A 87 5.537 -15.569 9.754 1.00 0.00 C ATOM 1417 CE LYS A 87 5.017 -16.614 10.743 1.00 0.00 C ATOM 1418 NZ LYS A 87 5.435 -16.276 12.122 1.00 0.00 N ATOM 0 H LYS A 87 5.099 -11.438 8.562 1.00 0.00 H new ATOM 0 HA LYS A 87 6.131 -14.011 7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.515 -12.944 8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.638 -14.572 8.139 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.488 -13.486 10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.005 -14.352 10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.408 -15.932 8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.606 -15.419 9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.930 -16.665 10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.397 -17.599 10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.074 -16.995 12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.473 -16.250 12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.052 -15.345 12.382 1.00 0.00 H new ATOM 1432 N GLU A 88 5.907 -13.554 5.316 1.00 0.00 N ATOM 1433 CA GLU A 88 5.670 -13.630 3.884 1.00 0.00 C ATOM 1434 C GLU A 88 4.368 -14.382 3.601 1.00 0.00 C ATOM 1435 O GLU A 88 3.640 -14.042 2.670 1.00 0.00 O ATOM 1436 CB GLU A 88 6.851 -14.287 3.167 1.00 0.00 C ATOM 1437 CG GLU A 88 8.111 -13.427 3.284 1.00 0.00 C ATOM 1438 CD GLU A 88 9.267 -14.227 3.887 1.00 0.00 C ATOM 1439 OE1 GLU A 88 9.831 -15.058 3.144 1.00 0.00 O ATOM 1440 OE2 GLU A 88 9.560 -13.989 5.079 1.00 0.00 O ATOM 0 H GLU A 88 6.883 -13.658 5.593 1.00 0.00 H new ATOM 0 HA GLU A 88 5.572 -12.616 3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.038 -15.272 3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.605 -14.437 2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.395 -13.056 2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.904 -12.555 3.905 1.00 0.00 H new ATOM 1447 N LYS A 89 4.115 -15.392 4.420 1.00 0.00 N ATOM 1448 CA LYS A 89 2.914 -16.196 4.270 1.00 0.00 C ATOM 1449 C LYS A 89 1.715 -15.274 4.037 1.00 0.00 C ATOM 1450 O LYS A 89 1.158 -15.239 2.941 1.00 0.00 O ATOM 1451 CB LYS A 89 2.745 -17.135 5.465 1.00 0.00 C ATOM 1452 CG LYS A 89 4.063 -17.835 5.804 1.00 0.00 C ATOM 1453 CD LYS A 89 3.871 -19.350 5.897 1.00 0.00 C ATOM 1454 CE LYS A 89 3.079 -19.726 7.151 1.00 0.00 C ATOM 1455 NZ LYS A 89 3.927 -20.494 8.089 1.00 0.00 N ATOM 0 H LYS A 89 4.722 -15.672 5.190 1.00 0.00 H new ATOM 0 HA LYS A 89 2.994 -16.842 3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.397 -16.570 6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.981 -17.879 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.807 -17.605 5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.448 -17.455 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.348 -19.709 5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.843 -19.843 5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.711 -18.824 7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.206 -20.317 6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.374 -20.741 8.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.258 -21.364 7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.746 -19.917 8.368 1.00 0.00 H new ATOM 1469 N ASP A 90 1.353 -14.551 5.086 1.00 0.00 N ATOM 1470 CA ASP A 90 0.230 -13.632 5.010 1.00 0.00 C ATOM 1471 C ASP A 90 0.426 -12.692 3.819 1.00 0.00 C ATOM 1472 O ASP A 90 -0.477 -12.525 3.000 1.00 0.00 O ATOM 1473 CB ASP A 90 0.131 -12.777 6.275 1.00 0.00 C ATOM 1474 CG ASP A 90 0.455 -13.511 7.578 1.00 0.00 C ATOM 1475 OD1 ASP A 90 0.011 -14.673 7.701 1.00 0.00 O ATOM 1476 OD2 ASP A 90 1.140 -12.893 8.422 1.00 0.00 O ATOM 0 H ASP A 90 1.817 -14.583 5.994 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.681 -14.221 4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.808 -11.928 6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.879 -12.373 6.344 1.00 0.00 H new ATOM 1481 N ARG A 91 1.611 -12.102 3.760 1.00 0.00 N ATOM 1482 CA ARG A 91 1.937 -11.183 2.683 1.00 0.00 C ATOM 1483 C ARG A 91 1.569 -11.798 1.331 1.00 0.00 C ATOM 1484 O ARG A 91 1.025 -11.117 0.462 1.00 0.00 O ATOM 1485 CB ARG A 91 3.426 -10.834 2.688 1.00 0.00 C ATOM 1486 CG ARG A 91 3.904 -10.493 4.100 1.00 0.00 C ATOM 1487 CD ARG A 91 5.198 -9.677 4.059 1.00 0.00 C ATOM 1488 NE ARG A 91 6.158 -10.298 3.119 1.00 0.00 N ATOM 1489 CZ ARG A 91 6.290 -9.940 1.834 1.00 0.00 C ATOM 1490 NH1 ARG A 91 5.523 -8.964 1.329 1.00 0.00 N ATOM 1491 NH2 ARG A 91 7.187 -10.559 1.055 1.00 0.00 N ATOM 0 H ARG A 91 2.357 -12.243 4.441 1.00 0.00 H new ATOM 0 HA ARG A 91 1.361 -10.271 2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.001 -11.674 2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.607 -9.988 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.131 -9.930 4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.067 -11.411 4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.983 -8.654 3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.635 -9.623 5.056 1.00 0.00 H new ATOM 0 HE ARG A 91 6.757 -11.045 3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.839 -8.494 1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.623 -8.691 0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.769 -11.303 1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.287 -10.287 0.077 1.00 0.00 H new ATOM 1505 N ASN A 92 1.880 -13.079 1.195 1.00 0.00 N ATOM 1506 CA ASN A 92 1.589 -13.793 -0.036 1.00 0.00 C ATOM 1507 C ASN A 92 0.085 -13.735 -0.311 1.00 0.00 C ATOM 1508 O ASN A 92 -0.342 -13.795 -1.463 1.00 0.00 O ATOM 1509 CB ASN A 92 1.992 -15.265 0.072 1.00 0.00 C ATOM 1510 CG ASN A 92 3.472 -15.402 0.434 1.00 0.00 C ATOM 1511 OD1 ASN A 92 4.240 -14.456 0.386 1.00 0.00 O ATOM 1512 ND2 ASN A 92 3.829 -16.631 0.798 1.00 0.00 N ATOM 0 H ASN A 92 2.331 -13.641 1.917 1.00 0.00 H new ATOM 0 HA ASN A 92 2.154 -13.322 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.382 -15.758 0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.797 -15.770 -0.874 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.796 -16.825 1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.136 -17.379 0.817 1.00 0.00 H new ATOM 1519 N ASP A 93 -0.678 -13.617 0.766 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.125 -13.550 0.655 1.00 0.00 C ATOM 1521 C ASP A 93 -2.545 -12.102 0.392 1.00 0.00 C ATOM 1522 O ASP A 93 -3.335 -11.836 -0.512 1.00 0.00 O ATOM 1523 CB ASP A 93 -2.798 -14.010 1.949 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.016 -15.052 2.751 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -1.082 -15.638 2.161 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.368 -15.240 3.935 1.00 0.00 O ATOM 0 H ASP A 93 -0.321 -13.566 1.720 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.432 -14.203 -0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.967 -13.139 2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.777 -14.422 1.705 1.00 0.00 H new ATOM 1531 N LEU A 94 -1.998 -11.205 1.199 1.00 0.00 N ATOM 1532 CA LEU A 94 -2.306 -9.792 1.066 1.00 0.00 C ATOM 1533 C LEU A 94 -2.354 -9.423 -0.419 1.00 0.00 C ATOM 1534 O LEU A 94 -3.429 -9.203 -0.973 1.00 0.00 O ATOM 1535 CB LEU A 94 -1.319 -8.949 1.877 1.00 0.00 C ATOM 1536 CG LEU A 94 -1.907 -7.730 2.591 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -2.790 -6.913 1.645 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -2.657 -8.146 3.858 1.00 0.00 C ATOM 0 H LEU A 94 -1.343 -11.430 1.948 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.290 -9.576 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.851 -9.591 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.529 -8.608 1.209 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.084 -7.086 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.195 -6.053 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.195 -6.569 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.609 -7.535 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.065 -7.261 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.470 -8.822 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.971 -8.652 4.538 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.174 -9.366 -1.020 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.068 -9.027 -2.429 1.00 0.00 C ATOM 1552 C ILE A 95 -2.181 -9.735 -3.204 1.00 0.00 C ATOM 1553 O ILE A 95 -2.636 -9.241 -4.234 1.00 0.00 O ATOM 1554 CB ILE A 95 0.337 -9.337 -2.950 1.00 0.00 C ATOM 1555 CG1 ILE A 95 1.389 -8.503 -2.216 1.00 0.00 C ATOM 1556 CG2 ILE A 95 0.413 -9.150 -4.466 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.481 -9.397 -1.624 1.00 0.00 C ATOM 0 H ILE A 95 -0.284 -9.549 -0.557 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.208 -7.956 -2.575 1.00 0.00 H new ATOM 0 HB ILE A 95 0.555 -10.385 -2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.835 -7.785 -2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.913 -7.929 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.422 -9.377 -4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.295 -9.821 -4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.167 -8.119 -4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.216 -8.780 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.035 -10.097 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.971 -9.952 -2.424 1.00 0.00 H new ATOM 1569 N THR A 96 -2.587 -10.882 -2.679 1.00 0.00 N ATOM 1570 CA THR A 96 -3.638 -11.663 -3.309 1.00 0.00 C ATOM 1571 C THR A 96 -5.009 -11.055 -3.005 1.00 0.00 C ATOM 1572 O THR A 96 -5.827 -10.878 -3.907 1.00 0.00 O ATOM 1573 CB THR A 96 -3.498 -13.112 -2.838 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.275 -13.847 -4.038 1.00 0.00 O ATOM 1575 CG2 THR A 96 -4.810 -13.679 -2.292 1.00 0.00 C ATOM 0 H THR A 96 -2.207 -11.289 -1.824 1.00 0.00 H new ATOM 0 HA THR A 96 -3.544 -11.649 -4.395 1.00 0.00 H new ATOM 0 HB THR A 96 -2.729 -13.171 -2.068 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.135 -14.137 -4.409 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.656 -14.709 -1.972 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.140 -13.080 -1.443 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.571 -13.652 -3.072 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.218 -10.753 -1.732 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.476 -10.168 -1.298 1.00 0.00 C ATOM 1585 C TYR A 97 -6.589 -8.712 -1.752 1.00 0.00 C ATOM 1586 O TYR A 97 -7.616 -8.304 -2.293 1.00 0.00 O ATOM 1587 CB TYR A 97 -6.456 -10.214 0.231 1.00 0.00 C ATOM 1588 CG TYR A 97 -7.447 -9.255 0.894 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -8.738 -9.668 1.154 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -7.049 -7.978 1.233 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -9.670 -8.765 1.779 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -7.982 -7.075 1.857 1.00 0.00 C ATOM 1593 CZ TYR A 97 -9.246 -7.513 2.100 1.00 0.00 C ATOM 1594 OH TYR A 97 -10.127 -6.661 2.689 1.00 0.00 O ATOM 0 H TYR A 97 -4.538 -10.902 -0.987 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.320 -10.713 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -6.676 -11.231 0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.450 -9.979 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.049 -10.668 0.889 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.038 -7.656 1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.683 -9.075 1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.684 -6.072 2.126 1.00 0.00 H new ATOM 0 HH TYR A 97 -9.696 -5.793 2.833 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.519 -7.967 -1.515 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.486 -6.564 -1.893 1.00 0.00 C ATOM 1606 C LEU A 98 -5.717 -6.440 -3.400 1.00 0.00 C ATOM 1607 O LEU A 98 -6.602 -5.707 -3.838 1.00 0.00 O ATOM 1608 CB LEU A 98 -4.188 -5.911 -1.414 1.00 0.00 C ATOM 1609 CG LEU A 98 -4.337 -4.568 -0.697 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -4.829 -3.485 -1.659 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -5.242 -4.699 0.530 1.00 0.00 C ATOM 0 H LEU A 98 -4.669 -8.308 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.291 -6.018 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.682 -6.605 -0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.536 -5.770 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.354 -4.260 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.926 -2.540 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.113 -3.369 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.798 -3.773 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.331 -3.730 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.229 -5.040 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.811 -5.420 1.225 1.00 0.00 H new ATOM 1623 N LYS A 99 -4.905 -7.169 -4.153 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.010 -7.150 -5.602 1.00 0.00 C ATOM 1625 C LYS A 99 -6.463 -7.408 -6.007 1.00 0.00 C ATOM 1626 O LYS A 99 -6.969 -6.791 -6.943 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.015 -8.132 -6.224 1.00 0.00 C ATOM 1628 CG LYS A 99 -4.171 -8.180 -7.745 1.00 0.00 C ATOM 1629 CD LYS A 99 -3.898 -9.588 -8.279 1.00 0.00 C ATOM 1630 CE LYS A 99 -4.791 -9.901 -9.481 1.00 0.00 C ATOM 1631 NZ LYS A 99 -3.979 -10.399 -10.614 1.00 0.00 N ATOM 0 H LYS A 99 -4.172 -7.776 -3.786 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.739 -6.168 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.998 -7.836 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.171 -9.127 -5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.179 -7.872 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.483 -7.472 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.850 -9.675 -8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.073 -10.320 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.536 -10.647 -9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.334 -9.005 -9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.600 -10.607 -11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.285 -9.675 -10.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.480 -11.266 -10.329 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.093 -8.321 -5.283 1.00 0.00 N ATOM 1646 CA LYS A 100 -8.477 -8.668 -5.555 1.00 0.00 C ATOM 1647 C LYS A 100 -9.386 -7.532 -5.080 1.00 0.00 C ATOM 1648 O LYS A 100 -10.096 -6.925 -5.880 1.00 0.00 O ATOM 1649 CB LYS A 100 -8.820 -10.027 -4.942 1.00 0.00 C ATOM 1650 CG LYS A 100 -10.209 -10.494 -5.383 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.288 -9.981 -4.428 1.00 0.00 C ATOM 1652 CE LYS A 100 -12.674 -10.469 -4.854 1.00 0.00 C ATOM 1653 NZ LYS A 100 -13.481 -10.836 -3.669 1.00 0.00 N ATOM 0 H LYS A 100 -6.670 -8.831 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.638 -8.779 -6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.073 -10.763 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.784 -9.959 -3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.413 -10.138 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.237 -11.583 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.074 -10.322 -3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.273 -8.891 -4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.183 -9.689 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.576 -11.330 -5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.419 -11.165 -3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.002 -11.596 -3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -13.590 -10.005 -3.053 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.334 -7.280 -3.781 1.00 0.00 N ATOM 1668 CA ALA A 101 -10.143 -6.228 -3.190 1.00 0.00 C ATOM 1669 C ALA A 101 -10.022 -4.960 -4.037 1.00 0.00 C ATOM 1670 O ALA A 101 -11.020 -4.452 -4.548 1.00 0.00 O ATOM 1671 CB ALA A 101 -9.710 -6.003 -1.740 1.00 0.00 C ATOM 0 H ALA A 101 -8.744 -7.786 -3.121 1.00 0.00 H new ATOM 0 HA ALA A 101 -11.194 -6.516 -3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.317 -5.214 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.843 -6.925 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.660 -5.710 -1.715 1.00 0.00 H new ATOM 1677 N SER A 102 -8.791 -4.485 -4.161 1.00 0.00 N ATOM 1678 CA SER A 102 -8.527 -3.286 -4.938 1.00 0.00 C ATOM 1679 C SER A 102 -9.257 -3.360 -6.281 1.00 0.00 C ATOM 1680 O SER A 102 -9.562 -2.332 -6.883 1.00 0.00 O ATOM 1681 CB SER A 102 -7.025 -3.094 -5.161 1.00 0.00 C ATOM 1682 OG SER A 102 -6.420 -4.246 -5.742 1.00 0.00 O ATOM 0 H SER A 102 -7.966 -4.909 -3.737 1.00 0.00 H new ATOM 0 HA SER A 102 -8.897 -2.428 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.862 -2.233 -5.809 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.543 -2.872 -4.209 1.00 0.00 H new ATOM 0 HG SER A 102 -6.462 -4.992 -5.108 1.00 0.00 H new ATOM 1688 N GLU A 103 -9.515 -4.587 -6.710 1.00 0.00 N ATOM 1689 CA GLU A 103 -10.204 -4.809 -7.970 1.00 0.00 C ATOM 1690 C GLU A 103 -11.435 -5.691 -7.754 1.00 0.00 C ATOM 1691 O GLU A 103 -11.978 -6.250 -8.706 1.00 0.00 O ATOM 1692 CB GLU A 103 -9.263 -5.425 -9.008 1.00 0.00 C ATOM 1693 CG GLU A 103 -9.175 -6.942 -8.836 1.00 0.00 C ATOM 1694 CD GLU A 103 -8.089 -7.534 -9.736 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -6.909 -7.449 -9.333 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -8.463 -8.058 -10.808 1.00 0.00 O ATOM 0 H GLU A 103 -9.259 -5.437 -6.208 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.536 -3.845 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.618 -5.189 -10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.270 -4.986 -8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.960 -7.182 -7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.137 -7.395 -9.075 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 -0.297 1.999 3.416 1.00 0.00 FE HETATM 1705 CHA HEC A 104 0.761 4.411 1.151 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.846 -0.074 0.852 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.830 -0.311 5.669 1.00 0.00 C HETATM 1708 CHD HEC A 104 -0.343 4.409 5.785 1.00 0.00 C HETATM 1709 NA HEC A 104 -0.082 2.195 1.448 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.347 3.185 0.650 1.00 0.00 C HETATM 1711 C2A HEC A 104 0.632 2.717 -0.728 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.148 1.475 -0.779 1.00 0.00 C HETATM 1713 C4A HEC A 104 -0.268 1.078 0.493 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.176 0.533 -2.042 1.00 0.00 C HETATM 1715 CAA HEC A 104 1.129 3.650 -1.795 1.00 0.00 C HETATM 1716 CBA HEC A 104 -0.069 4.065 -2.710 1.00 0.00 C HETATM 1717 CGA HEC A 104 0.094 3.908 -4.214 1.00 0.00 C HETATM 1718 O1A HEC A 104 1.259 4.044 -4.604 1.00 0.00 O HETATM 1719 O2A HEC A 104 -0.892 3.650 -4.937 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.764 0.154 3.295 1.00 0.00 N HETATM 1721 C1B HEC A 104 -1.159 -0.503 2.136 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.509 -1.857 2.554 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.451 -1.978 3.903 1.00 0.00 C HETATM 1724 C4B HEC A 104 -1.031 -0.668 4.323 1.00 0.00 C HETATM 1725 CMB HEC A 104 -2.035 -2.920 1.521 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.794 -3.118 4.827 1.00 0.00 C HETATM 1727 CBB HEC A 104 -0.928 -4.372 4.629 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.537 2.099 5.378 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.742 1.043 6.212 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.973 1.321 7.575 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.788 2.657 7.618 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.606 3.155 6.257 1.00 0.00 C HETATM 1733 CMC HEC A 104 -1.239 0.378 8.708 1.00 0.00 C HETATM 1734 CAC HEC A 104 -1.067 3.692 8.752 1.00 0.00 C HETATM 1735 CBC HEC A 104 -0.282 3.358 10.041 1.00 0.00 C HETATM 1736 ND HEC A 104 0.120 4.057 3.472 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.042 4.884 4.587 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.424 6.174 4.243 1.00 0.00 C HETATM 1739 C3D HEC A 104 0.769 6.175 2.945 1.00 0.00 C HETATM 1740 C4D HEC A 104 0.649 4.801 2.466 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.532 7.418 5.238 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.388 7.373 2.182 1.00 0.00 C HETATM 1743 CBD HEC A 104 2.855 7.179 1.879 1.00 0.00 C HETATM 1744 CGD HEC A 104 3.270 5.941 1.106 1.00 0.00 C HETATM 1745 O1D HEC A 104 3.470 6.078 -0.131 1.00 0.00 O HETATM 1746 O2D HEC A 104 3.203 4.875 1.758 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.442 7.609 5.688 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.256 7.195 6.021 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 0.856 8.300 4.685 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.143 -0.194 8.501 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.396 -0.304 8.819 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.371 0.945 9.630 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.953 -2.556 1.059 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -1.281 -3.083 0.751 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -2.236 -3.859 2.036 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.373 1.003 -2.858 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.209 0.365 -2.348 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.288 -0.421 -1.794 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 3.198 8.050 1.321 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 3.393 7.176 2.827 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.574 2.371 10.400 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.787 3.365 9.828 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.504 4.102 10.806 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -1.048 -4.740 3.610 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.119 -4.123 4.804 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -1.240 -5.144 5.332 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -0.939 3.483 -2.406 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.298 5.111 -2.506 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 0.846 7.523 1.248 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 1.261 8.280 2.774 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 1.580 4.533 -1.342 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.904 3.165 -2.388 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.472 5.188 6.536 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.729 -1.130 6.381 1.00 0.00 H new HETATM 0 HHB HEC A 104 -1.102 -0.757 0.042 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.208 5.117 0.451 1.00 0.00 H new HETATM 0 H2D HEC A 104 3.391 4.117 1.166 1.00 0.00 H new HETATM 0 H2A HEC A 104 -0.659 3.806 -5.876 1.00 0.00 H new