USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 THR OG1 : rot 180:sc= 0.271 USER MOD Set 1.2: A 33 GLN : amide:sc= -1.22 K(o=-0.94,f=0.87) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.2) USER MOD Single : A 36 SER OG : rot 16:sc= 0.165 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0125) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -105:sc= 0.707 (180deg=0.0792) USER MOD Single : A 49 GLN : amide:sc= 0.217 X(o=0.22,f=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.0355 X(o=0.036,f=-0.21) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.404 X(o=-0.4,f=0.094) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0191) USER MOD Single : A 68 ASN : amide:sc= -0.457 K(o=-0.46,f=-2.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.7! C(o=-1.7!,f=-5.2!) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= 1.46 (180deg=0.262) USER MOD Single : A 77 HIS : no HD1:sc= -2.81! C(o=-2.8!,f=-7.3!) USER MOD Single : A 80 THR OG1 : rot 84:sc= 0.728 USER MOD Single : A 82 TYR OH : rot -114:sc= 0.652 USER MOD Single : A 83 ASN : amide:sc= 0.431 X(o=0.43,f=-0.028) USER MOD Single : A 84 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.012) USER MOD Single : A 88 THR OG1 : rot -69:sc= 0.579 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 20 -8.369 -9.188 17.189 1.00 0.00 N ATOM 2 CA MET A 20 -7.934 -8.585 15.902 1.00 0.00 C ATOM 3 C MET A 20 -8.679 -7.271 15.632 1.00 0.00 C ATOM 4 O MET A 20 -9.757 -7.029 16.179 1.00 0.00 O ATOM 5 CB MET A 20 -8.151 -9.581 14.726 1.00 0.00 C ATOM 6 CG MET A 20 -9.620 -9.957 14.452 1.00 0.00 C ATOM 7 SD MET A 20 -9.801 -11.091 13.053 1.00 0.00 S ATOM 8 CE MET A 20 -11.572 -11.367 13.023 1.00 0.00 C ATOM 0 HA MET A 20 -6.869 -8.365 15.978 1.00 0.00 H new ATOM 0 HB2 MET A 20 -7.728 -9.147 13.820 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.591 -10.493 14.934 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.046 -10.416 15.344 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.192 -9.050 14.256 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.820 -12.048 12.209 1.00 0.00 H new ATOM 0 HE2 MET A 20 -11.888 -11.804 13.970 1.00 0.00 H new ATOM 0 HE3 MET A 20 -12.086 -10.418 12.872 1.00 0.00 H new ATOM 18 N ALA A 21 -8.081 -6.427 14.780 1.00 0.00 N ATOM 19 CA ALA A 21 -8.714 -5.195 14.270 1.00 0.00 C ATOM 20 C ALA A 21 -8.610 -5.193 12.742 1.00 0.00 C ATOM 21 O ALA A 21 -7.586 -5.626 12.196 1.00 0.00 O ATOM 22 CB ALA A 21 -8.029 -3.947 14.859 1.00 0.00 C ATOM 0 H ALA A 21 -7.138 -6.578 14.421 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.761 -5.169 14.570 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.511 -3.050 14.470 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.115 -3.963 15.945 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.976 -3.944 14.579 1.00 0.00 H new ATOM 28 N ALA A 22 -9.661 -4.716 12.059 1.00 0.00 N ATOM 29 CA ALA A 22 -9.673 -4.612 10.594 1.00 0.00 C ATOM 30 C ALA A 22 -8.829 -3.404 10.154 1.00 0.00 C ATOM 31 O ALA A 22 -9.357 -2.307 9.905 1.00 0.00 O ATOM 32 CB ALA A 22 -11.119 -4.522 10.071 1.00 0.00 C ATOM 0 H ALA A 22 -10.521 -4.394 12.504 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.230 -5.509 10.162 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.109 -4.445 8.984 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.669 -5.415 10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.604 -3.641 10.492 1.00 0.00 H new ATOM 38 N ALA A 23 -7.499 -3.606 10.130 1.00 0.00 N ATOM 39 CA ALA A 23 -6.530 -2.576 9.738 1.00 0.00 C ATOM 40 C ALA A 23 -6.476 -2.494 8.203 1.00 0.00 C ATOM 41 O ALA A 23 -5.555 -3.021 7.562 1.00 0.00 O ATOM 42 CB ALA A 23 -5.148 -2.872 10.362 1.00 0.00 C ATOM 0 H ALA A 23 -7.068 -4.495 10.384 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.842 -1.603 10.117 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.440 -2.099 10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.234 -2.883 11.449 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.793 -3.843 10.016 1.00 0.00 H new ATOM 48 N VAL A 24 -7.516 -1.864 7.633 1.00 0.00 N ATOM 49 CA VAL A 24 -7.704 -1.755 6.182 1.00 0.00 C ATOM 50 C VAL A 24 -6.700 -0.739 5.598 1.00 0.00 C ATOM 51 O VAL A 24 -6.326 0.209 6.294 1.00 0.00 O ATOM 52 CB VAL A 24 -9.199 -1.362 5.837 1.00 0.00 C ATOM 53 CG1 VAL A 24 -10.179 -2.422 6.403 1.00 0.00 C ATOM 54 CG2 VAL A 24 -9.560 0.067 6.331 1.00 0.00 C ATOM 0 H VAL A 24 -8.255 -1.413 8.173 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.511 -2.725 5.724 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.295 -1.347 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.203 -2.139 6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.957 -3.394 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.067 -2.479 7.486 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.595 0.291 6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.438 0.120 7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.901 0.794 5.856 1.00 0.00 H new ATOM 64 N PRO A 25 -6.251 -0.918 4.309 1.00 0.00 N ATOM 65 CA PRO A 25 -5.161 -0.120 3.727 1.00 0.00 C ATOM 66 C PRO A 25 -5.556 1.351 3.551 1.00 0.00 C ATOM 67 O PRO A 25 -6.325 1.699 2.650 1.00 0.00 O ATOM 68 CB PRO A 25 -4.871 -0.786 2.351 1.00 0.00 C ATOM 69 CG PRO A 25 -5.653 -2.065 2.356 1.00 0.00 C ATOM 70 CD PRO A 25 -6.800 -1.858 3.314 1.00 0.00 C ATOM 0 HA PRO A 25 -4.286 -0.108 4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.179 -0.140 1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.805 -0.977 2.224 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.019 -2.300 1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.029 -2.901 2.672 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.674 -1.445 2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.112 -2.795 3.776 1.00 0.00 H new ATOM 78 N GLN A 26 -5.058 2.181 4.461 1.00 0.00 N ATOM 79 CA GLN A 26 -5.186 3.634 4.382 1.00 0.00 C ATOM 80 C GLN A 26 -4.258 4.096 3.251 1.00 0.00 C ATOM 81 O GLN A 26 -3.028 4.051 3.408 1.00 0.00 O ATOM 82 CB GLN A 26 -4.790 4.285 5.742 1.00 0.00 C ATOM 83 CG GLN A 26 -5.460 3.663 6.986 1.00 0.00 C ATOM 84 CD GLN A 26 -6.988 3.771 6.981 1.00 0.00 C ATOM 85 OE1 GLN A 26 -7.554 4.718 7.512 1.00 0.00 O ATOM 86 NE2 GLN A 26 -7.660 2.811 6.363 1.00 0.00 N ATOM 0 H GLN A 26 -4.548 1.861 5.284 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.214 3.934 4.176 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.708 4.216 5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.040 5.345 5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.179 2.612 7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.073 4.153 7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.159 2.035 5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.678 2.848 6.320 1.00 0.00 H new ATOM 95 N ARG A 27 -4.852 4.442 2.096 1.00 0.00 N ATOM 96 CA ARG A 27 -4.102 4.801 0.881 1.00 0.00 C ATOM 97 C ARG A 27 -3.106 5.948 1.160 1.00 0.00 C ATOM 98 O ARG A 27 -3.395 6.866 1.935 1.00 0.00 O ATOM 99 CB ARG A 27 -5.066 5.178 -0.271 1.00 0.00 C ATOM 100 CG ARG A 27 -5.938 6.416 0.013 1.00 0.00 C ATOM 101 CD ARG A 27 -6.799 6.850 -1.184 1.00 0.00 C ATOM 102 NE ARG A 27 -7.698 5.784 -1.667 1.00 0.00 N ATOM 103 CZ ARG A 27 -8.858 5.424 -1.096 1.00 0.00 C ATOM 104 NH1 ARG A 27 -9.269 5.992 0.038 1.00 0.00 N ATOM 105 NH2 ARG A 27 -9.600 4.484 -1.652 1.00 0.00 N ATOM 0 H ARG A 27 -5.865 4.481 1.979 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.529 3.927 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.482 5.358 -1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.717 4.329 -0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.590 6.204 0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.293 7.245 0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.394 7.718 -0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.146 7.164 -1.999 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.414 5.278 -2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.699 6.711 0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.153 5.708 0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.291 4.033 -2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.482 4.208 -1.220 1.00 0.00 H new ATOM 119 N ALA A 28 -1.926 5.858 0.551 1.00 0.00 N ATOM 120 CA ALA A 28 -0.829 6.822 0.768 1.00 0.00 C ATOM 121 C ALA A 28 -0.831 7.908 -0.316 1.00 0.00 C ATOM 122 O ALA A 28 -0.186 8.945 -0.161 1.00 0.00 O ATOM 123 CB ALA A 28 0.524 6.085 0.792 1.00 0.00 C ATOM 0 H ALA A 28 -1.695 5.116 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.983 7.309 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.327 6.804 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.525 5.353 1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.678 5.576 -0.159 1.00 0.00 H new ATOM 129 N TRP A 29 -1.558 7.645 -1.420 1.00 0.00 N ATOM 130 CA TRP A 29 -1.590 8.517 -2.618 1.00 0.00 C ATOM 131 C TRP A 29 -3.003 8.535 -3.212 1.00 0.00 C ATOM 132 O TRP A 29 -3.794 7.611 -2.988 1.00 0.00 O ATOM 133 CB TRP A 29 -0.602 8.011 -3.708 1.00 0.00 C ATOM 134 CG TRP A 29 0.815 7.812 -3.234 1.00 0.00 C ATOM 135 CD1 TRP A 29 1.771 8.773 -3.018 1.00 0.00 C ATOM 136 CD2 TRP A 29 1.433 6.555 -2.897 1.00 0.00 C ATOM 137 NE1 TRP A 29 2.934 8.185 -2.586 1.00 0.00 N ATOM 138 CE2 TRP A 29 2.746 6.829 -2.499 1.00 0.00 C ATOM 139 CE3 TRP A 29 0.986 5.228 -2.899 1.00 0.00 C ATOM 140 CZ2 TRP A 29 3.631 5.827 -2.124 1.00 0.00 C ATOM 141 CZ3 TRP A 29 1.864 4.230 -2.514 1.00 0.00 C ATOM 142 CH2 TRP A 29 3.170 4.536 -2.132 1.00 0.00 C ATOM 0 H TRP A 29 -2.145 6.816 -1.509 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.295 9.519 -2.307 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.974 7.066 -4.105 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.598 8.723 -4.533 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.629 9.833 -3.166 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.799 8.678 -2.365 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.024 4.988 -3.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.646 6.057 -1.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.534 3.202 -2.509 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.834 3.737 -1.836 1.00 0.00 H new ATOM 153 N THR A 30 -3.299 9.590 -3.976 1.00 0.00 N ATOM 154 CA THR A 30 -4.500 9.659 -4.818 1.00 0.00 C ATOM 155 C THR A 30 -4.202 8.912 -6.142 1.00 0.00 C ATOM 156 O THR A 30 -3.032 8.692 -6.472 1.00 0.00 O ATOM 157 CB THR A 30 -4.894 11.148 -5.099 1.00 0.00 C ATOM 158 OG1 THR A 30 -4.873 11.890 -3.868 1.00 0.00 O ATOM 159 CG2 THR A 30 -6.294 11.289 -5.738 1.00 0.00 C ATOM 0 H THR A 30 -2.712 10.423 -4.029 1.00 0.00 H new ATOM 0 HA THR A 30 -5.341 9.191 -4.307 1.00 0.00 H new ATOM 0 HB THR A 30 -4.165 11.540 -5.808 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.118 12.822 -4.044 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.511 12.343 -5.909 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.316 10.755 -6.688 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.044 10.868 -5.068 1.00 0.00 H new ATOM 167 N VAL A 31 -5.255 8.531 -6.883 1.00 0.00 N ATOM 168 CA VAL A 31 -5.141 7.802 -8.174 1.00 0.00 C ATOM 169 C VAL A 31 -4.196 8.533 -9.168 1.00 0.00 C ATOM 170 O VAL A 31 -3.395 7.898 -9.862 1.00 0.00 O ATOM 171 CB VAL A 31 -6.566 7.554 -8.812 1.00 0.00 C ATOM 172 CG1 VAL A 31 -7.374 8.871 -8.948 1.00 0.00 C ATOM 173 CG2 VAL A 31 -6.473 6.798 -10.170 1.00 0.00 C ATOM 0 H VAL A 31 -6.220 8.717 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.694 6.831 -7.963 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.111 6.909 -8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.347 8.657 -9.391 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.513 9.316 -7.963 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.830 9.567 -9.587 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.475 6.649 -10.573 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.883 7.385 -10.874 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.996 5.830 -10.016 1.00 0.00 H new ATOM 183 N GLU A 32 -4.302 9.875 -9.176 1.00 0.00 N ATOM 184 CA GLU A 32 -3.470 10.781 -9.998 1.00 0.00 C ATOM 185 C GLU A 32 -1.992 10.745 -9.550 1.00 0.00 C ATOM 186 O GLU A 32 -1.088 10.697 -10.393 1.00 0.00 O ATOM 187 CB GLU A 32 -4.031 12.234 -9.915 1.00 0.00 C ATOM 188 CG GLU A 32 -4.126 12.803 -8.488 1.00 0.00 C ATOM 189 CD GLU A 32 -4.759 14.197 -8.422 1.00 0.00 C ATOM 190 OE1 GLU A 32 -6.004 14.290 -8.430 1.00 0.00 O ATOM 191 OE2 GLU A 32 -4.018 15.205 -8.358 1.00 0.00 O ATOM 0 H GLU A 32 -4.982 10.372 -8.600 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.510 10.440 -11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.397 12.889 -10.512 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.023 12.253 -10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.710 12.119 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.126 12.847 -8.056 1.00 0.00 H new ATOM 198 N GLN A 33 -1.765 10.761 -8.216 1.00 0.00 N ATOM 199 CA GLN A 33 -0.414 10.752 -7.618 1.00 0.00 C ATOM 200 C GLN A 33 0.319 9.441 -7.938 1.00 0.00 C ATOM 201 O GLN A 33 1.539 9.439 -8.118 1.00 0.00 O ATOM 202 CB GLN A 33 -0.487 10.970 -6.086 1.00 0.00 C ATOM 203 CG GLN A 33 -0.993 12.360 -5.667 1.00 0.00 C ATOM 204 CD GLN A 33 -0.854 12.598 -4.165 1.00 0.00 C ATOM 205 OE1 GLN A 33 0.198 13.024 -3.700 1.00 0.00 O ATOM 206 NE2 GLN A 33 -1.911 12.362 -3.402 1.00 0.00 N ATOM 0 H GLN A 33 -2.515 10.781 -7.525 1.00 0.00 H new ATOM 0 HA GLN A 33 0.150 11.576 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.141 10.213 -5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.505 10.814 -5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.436 13.125 -6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.039 12.465 -5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.772 12.008 -3.819 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.864 12.535 -2.398 1.00 0.00 H new ATOM 215 N LEU A 34 -0.455 8.356 -8.037 1.00 0.00 N ATOM 216 CA LEU A 34 0.056 7.032 -8.420 1.00 0.00 C ATOM 217 C LEU A 34 0.547 7.033 -9.868 1.00 0.00 C ATOM 218 O LEU A 34 1.662 6.609 -10.152 1.00 0.00 O ATOM 219 CB LEU A 34 -1.045 5.983 -8.261 1.00 0.00 C ATOM 220 CG LEU A 34 -1.510 5.701 -6.815 1.00 0.00 C ATOM 221 CD1 LEU A 34 -2.848 4.979 -6.837 1.00 0.00 C ATOM 222 CD2 LEU A 34 -0.448 4.893 -6.037 1.00 0.00 C ATOM 0 H LEU A 34 -1.458 8.369 -7.853 1.00 0.00 H new ATOM 0 HA LEU A 34 0.894 6.790 -7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.909 6.302 -8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.694 5.048 -8.697 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.636 6.650 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.172 4.782 -5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.589 5.601 -7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.744 4.035 -7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.802 4.709 -5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.275 3.941 -6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.483 5.458 -5.999 1.00 0.00 H new ATOM 234 N ARG A 35 -0.323 7.538 -10.765 1.00 0.00 N ATOM 235 CA ARG A 35 -0.078 7.602 -12.218 1.00 0.00 C ATOM 236 C ARG A 35 1.030 8.611 -12.563 1.00 0.00 C ATOM 237 O ARG A 35 1.598 8.549 -13.660 1.00 0.00 O ATOM 238 CB ARG A 35 -1.397 7.958 -12.961 1.00 0.00 C ATOM 239 CG ARG A 35 -2.475 6.859 -12.879 1.00 0.00 C ATOM 240 CD ARG A 35 -3.764 7.206 -13.637 1.00 0.00 C ATOM 241 NE ARG A 35 -3.509 7.491 -15.062 1.00 0.00 N ATOM 242 CZ ARG A 35 -4.379 7.305 -16.063 1.00 0.00 C ATOM 243 NH1 ARG A 35 -5.591 6.810 -15.850 1.00 0.00 N ATOM 244 NH2 ARG A 35 -4.015 7.619 -17.293 1.00 0.00 N ATOM 0 H ARG A 35 -1.230 7.919 -10.495 1.00 0.00 H new ATOM 0 HA ARG A 35 0.264 6.621 -12.548 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.800 8.881 -12.544 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.171 8.154 -14.009 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.067 5.931 -13.279 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.717 6.676 -11.832 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.468 6.378 -13.553 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.235 8.072 -13.173 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.591 7.862 -15.306 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.881 6.560 -14.905 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.233 6.679 -16.632 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.084 7.997 -17.469 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.665 7.484 -18.067 1.00 0.00 H new ATOM 258 N SER A 36 1.318 9.535 -11.623 1.00 0.00 N ATOM 259 CA SER A 36 2.403 10.513 -11.768 1.00 0.00 C ATOM 260 C SER A 36 3.759 9.789 -11.916 1.00 0.00 C ATOM 261 O SER A 36 4.138 8.970 -11.067 1.00 0.00 O ATOM 262 CB SER A 36 2.434 11.483 -10.567 1.00 0.00 C ATOM 263 OG SER A 36 3.476 12.449 -10.694 1.00 0.00 O ATOM 0 H SER A 36 0.803 9.620 -10.746 1.00 0.00 H new ATOM 0 HA SER A 36 2.219 11.098 -12.669 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.474 11.992 -10.486 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.573 10.917 -9.646 1.00 0.00 H new ATOM 0 HG SER A 36 3.800 12.461 -11.619 1.00 0.00 H new ATOM 269 N GLU A 37 4.454 10.105 -13.023 1.00 0.00 N ATOM 270 CA GLU A 37 5.742 9.502 -13.416 1.00 0.00 C ATOM 271 C GLU A 37 6.828 9.626 -12.318 1.00 0.00 C ATOM 272 O GLU A 37 7.716 8.764 -12.226 1.00 0.00 O ATOM 273 CB GLU A 37 6.256 10.139 -14.746 1.00 0.00 C ATOM 274 CG GLU A 37 6.657 11.641 -14.688 1.00 0.00 C ATOM 275 CD GLU A 37 5.479 12.599 -14.423 1.00 0.00 C ATOM 276 OE1 GLU A 37 4.824 13.032 -15.392 1.00 0.00 O ATOM 277 OE2 GLU A 37 5.182 12.897 -13.243 1.00 0.00 O ATOM 0 H GLU A 37 4.127 10.806 -13.688 1.00 0.00 H new ATOM 0 HA GLU A 37 5.556 8.438 -13.562 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.120 9.568 -15.086 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.480 10.022 -15.502 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.404 11.776 -13.906 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.130 11.916 -15.631 1.00 0.00 H new ATOM 284 N GLN A 38 6.728 10.693 -11.496 1.00 0.00 N ATOM 285 CA GLN A 38 7.698 11.002 -10.422 1.00 0.00 C ATOM 286 C GLN A 38 7.704 9.933 -9.312 1.00 0.00 C ATOM 287 O GLN A 38 8.766 9.641 -8.750 1.00 0.00 O ATOM 288 CB GLN A 38 7.421 12.411 -9.820 1.00 0.00 C ATOM 289 CG GLN A 38 7.571 13.565 -10.828 1.00 0.00 C ATOM 290 CD GLN A 38 7.403 14.957 -10.205 1.00 0.00 C ATOM 291 OE1 GLN A 38 6.681 15.136 -9.227 1.00 0.00 O ATOM 292 NE2 GLN A 38 8.086 15.954 -10.752 1.00 0.00 N ATOM 0 H GLN A 38 5.967 11.369 -11.559 1.00 0.00 H new ATOM 0 HA GLN A 38 8.688 10.999 -10.877 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.410 12.428 -9.412 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.104 12.579 -8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.554 13.502 -11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.834 13.441 -11.621 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.679 15.781 -11.564 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.018 16.894 -10.361 1.00 0.00 H new ATOM 301 N LEU A 39 6.528 9.356 -9.013 1.00 0.00 N ATOM 302 CA LEU A 39 6.379 8.327 -7.949 1.00 0.00 C ATOM 303 C LEU A 39 7.089 7.019 -8.401 1.00 0.00 C ATOM 304 O LEU A 39 6.765 6.507 -9.468 1.00 0.00 O ATOM 305 CB LEU A 39 4.853 8.061 -7.677 1.00 0.00 C ATOM 306 CG LEU A 39 4.418 7.613 -6.225 1.00 0.00 C ATOM 307 CD1 LEU A 39 2.913 7.310 -6.171 1.00 0.00 C ATOM 308 CD2 LEU A 39 5.218 6.410 -5.667 1.00 0.00 C ATOM 0 H LEU A 39 5.656 9.581 -9.492 1.00 0.00 H new ATOM 0 HA LEU A 39 6.838 8.680 -7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.308 8.973 -7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.520 7.294 -8.376 1.00 0.00 H new ATOM 0 HG LEU A 39 4.649 8.462 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.639 7.004 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.352 8.204 -6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.678 6.507 -6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.858 6.166 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.084 5.549 -6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.276 6.668 -5.619 1.00 0.00 H new ATOM 320 N PRO A 40 8.076 6.464 -7.629 1.00 0.00 N ATOM 321 CA PRO A 40 8.680 5.139 -7.946 1.00 0.00 C ATOM 322 C PRO A 40 7.635 3.990 -7.875 1.00 0.00 C ATOM 323 O PRO A 40 6.912 3.860 -6.881 1.00 0.00 O ATOM 324 CB PRO A 40 9.796 4.973 -6.878 1.00 0.00 C ATOM 325 CG PRO A 40 9.384 5.883 -5.759 1.00 0.00 C ATOM 326 CD PRO A 40 8.701 7.067 -6.422 1.00 0.00 C ATOM 0 HA PRO A 40 9.067 5.092 -8.964 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.872 3.939 -6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.772 5.251 -7.277 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.708 5.376 -5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.248 6.205 -5.178 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.957 7.522 -5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.414 7.848 -6.685 1.00 0.00 H new ATOM 334 N LYS A 41 7.575 3.174 -8.950 1.00 0.00 N ATOM 335 CA LYS A 41 6.665 2.008 -9.054 1.00 0.00 C ATOM 336 C LYS A 41 6.875 1.017 -7.893 1.00 0.00 C ATOM 337 O LYS A 41 5.912 0.449 -7.384 1.00 0.00 O ATOM 338 CB LYS A 41 6.892 1.251 -10.389 1.00 0.00 C ATOM 339 CG LYS A 41 6.530 2.037 -11.661 1.00 0.00 C ATOM 340 CD LYS A 41 6.769 1.219 -12.950 1.00 0.00 C ATOM 341 CE LYS A 41 8.229 0.747 -13.103 1.00 0.00 C ATOM 342 NZ LYS A 41 9.189 1.883 -13.133 1.00 0.00 N ATOM 0 H LYS A 41 8.159 3.305 -9.776 1.00 0.00 H new ATOM 0 HA LYS A 41 5.648 2.399 -9.012 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.941 0.959 -10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.306 0.332 -10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.483 2.337 -11.614 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.122 2.952 -11.700 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.110 0.350 -12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.497 1.825 -13.814 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.482 0.082 -12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.327 0.167 -14.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.151 1.520 -13.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.935 2.532 -13.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.153 2.392 -12.227 1.00 0.00 H new ATOM 356 N LYS A 42 8.143 0.863 -7.481 1.00 0.00 N ATOM 357 CA LYS A 42 8.557 -0.070 -6.417 1.00 0.00 C ATOM 358 C LYS A 42 7.848 0.239 -5.084 1.00 0.00 C ATOM 359 O LYS A 42 7.535 -0.671 -4.314 1.00 0.00 O ATOM 360 CB LYS A 42 10.101 0.005 -6.234 1.00 0.00 C ATOM 361 CG LYS A 42 10.630 1.362 -5.692 1.00 0.00 C ATOM 362 CD LYS A 42 12.161 1.382 -5.481 1.00 0.00 C ATOM 363 CE LYS A 42 12.942 1.280 -6.800 1.00 0.00 C ATOM 364 NZ LYS A 42 14.404 1.218 -6.581 1.00 0.00 N ATOM 0 H LYS A 42 8.920 1.388 -7.881 1.00 0.00 H new ATOM 0 HA LYS A 42 8.270 -1.078 -6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.410 -0.787 -5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.576 -0.196 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.356 2.155 -6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.137 1.584 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.441 2.302 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.445 0.555 -4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.620 0.392 -7.343 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.706 2.140 -7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.890 1.150 -7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.718 2.077 -6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.634 0.383 -6.005 1.00 0.00 H new ATOM 378 N ASP A 43 7.608 1.537 -4.846 1.00 0.00 N ATOM 379 CA ASP A 43 7.012 2.031 -3.598 1.00 0.00 C ATOM 380 C ASP A 43 5.511 1.686 -3.567 1.00 0.00 C ATOM 381 O ASP A 43 4.955 1.350 -2.518 1.00 0.00 O ATOM 382 CB ASP A 43 7.242 3.563 -3.447 1.00 0.00 C ATOM 383 CG ASP A 43 7.305 4.016 -1.976 1.00 0.00 C ATOM 384 OD1 ASP A 43 6.257 4.047 -1.302 1.00 0.00 O ATOM 385 OD2 ASP A 43 8.407 4.312 -1.471 1.00 0.00 O ATOM 0 H ASP A 43 7.823 2.275 -5.516 1.00 0.00 H new ATOM 0 HA ASP A 43 7.497 1.542 -2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.171 3.837 -3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.438 4.098 -3.953 1.00 0.00 H new ATOM 390 N ILE A 44 4.871 1.751 -4.751 1.00 0.00 N ATOM 391 CA ILE A 44 3.447 1.408 -4.923 1.00 0.00 C ATOM 392 C ILE A 44 3.240 -0.114 -4.722 1.00 0.00 C ATOM 393 O ILE A 44 2.327 -0.534 -4.011 1.00 0.00 O ATOM 394 CB ILE A 44 2.911 1.838 -6.342 1.00 0.00 C ATOM 395 CG1 ILE A 44 3.282 3.327 -6.653 1.00 0.00 C ATOM 396 CG2 ILE A 44 1.381 1.613 -6.449 1.00 0.00 C ATOM 397 CD1 ILE A 44 2.923 3.801 -8.057 1.00 0.00 C ATOM 0 H ILE A 44 5.328 2.043 -5.615 1.00 0.00 H new ATOM 0 HA ILE A 44 2.881 1.957 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 44 3.395 1.209 -7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.780 3.969 -5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.354 3.457 -6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.037 1.918 -7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.157 0.557 -6.296 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.872 2.206 -5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.219 4.843 -8.176 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.446 3.189 -8.792 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.847 3.710 -8.208 1.00 0.00 H new ATOM 409 N ILE A 45 4.110 -0.923 -5.366 1.00 0.00 N ATOM 410 CA ILE A 45 4.137 -2.405 -5.206 1.00 0.00 C ATOM 411 C ILE A 45 4.294 -2.785 -3.719 1.00 0.00 C ATOM 412 O ILE A 45 3.617 -3.689 -3.217 1.00 0.00 O ATOM 413 CB ILE A 45 5.333 -3.040 -6.015 1.00 0.00 C ATOM 414 CG1 ILE A 45 5.219 -2.688 -7.527 1.00 0.00 C ATOM 415 CG2 ILE A 45 5.429 -4.578 -5.806 1.00 0.00 C ATOM 416 CD1 ILE A 45 6.454 -2.980 -8.360 1.00 0.00 C ATOM 0 H ILE A 45 4.816 -0.573 -6.013 1.00 0.00 H new ATOM 0 HA ILE A 45 3.194 -2.792 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 45 6.255 -2.608 -5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.379 -3.240 -7.948 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.982 -1.628 -7.619 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.266 -4.972 -6.382 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.583 -4.793 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.505 -5.049 -6.141 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.269 -2.699 -9.397 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.297 -2.407 -7.974 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.684 -4.044 -8.309 1.00 0.00 H new ATOM 428 N LYS A 46 5.191 -2.054 -3.038 1.00 0.00 N ATOM 429 CA LYS A 46 5.494 -2.226 -1.606 1.00 0.00 C ATOM 430 C LYS A 46 4.228 -2.018 -0.737 1.00 0.00 C ATOM 431 O LYS A 46 4.032 -2.701 0.270 1.00 0.00 O ATOM 432 CB LYS A 46 6.605 -1.219 -1.209 1.00 0.00 C ATOM 433 CG LYS A 46 7.078 -1.268 0.259 1.00 0.00 C ATOM 434 CD LYS A 46 8.152 -0.196 0.573 1.00 0.00 C ATOM 435 CE LYS A 46 7.623 1.239 0.380 1.00 0.00 C ATOM 436 NZ LYS A 46 8.655 2.274 0.629 1.00 0.00 N ATOM 0 H LYS A 46 5.737 -1.312 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 46 5.841 -3.244 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.468 -1.390 -1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.245 -0.212 -1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.222 -1.124 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.483 -2.257 0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.495 -0.319 1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.017 -0.352 -0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.245 1.348 -0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.781 1.404 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.477 2.728 1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.596 1.831 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.617 2.990 -0.124 1.00 0.00 H new ATOM 450 N PHE A 47 3.380 -1.065 -1.163 1.00 0.00 N ATOM 451 CA PHE A 47 2.084 -0.783 -0.506 1.00 0.00 C ATOM 452 C PHE A 47 1.082 -1.941 -0.734 1.00 0.00 C ATOM 453 O PHE A 47 0.451 -2.435 0.218 1.00 0.00 O ATOM 454 CB PHE A 47 1.510 0.576 -1.030 1.00 0.00 C ATOM 455 CG PHE A 47 0.065 0.900 -0.606 1.00 0.00 C ATOM 456 CD1 PHE A 47 -0.326 0.838 0.730 1.00 0.00 C ATOM 457 CD2 PHE A 47 -0.903 1.252 -1.553 1.00 0.00 C ATOM 458 CE1 PHE A 47 -1.633 1.110 1.104 1.00 0.00 C ATOM 459 CE2 PHE A 47 -2.208 1.521 -1.172 1.00 0.00 C ATOM 460 CZ PHE A 47 -2.569 1.455 0.157 1.00 0.00 C ATOM 0 H PHE A 47 3.569 -0.469 -1.969 1.00 0.00 H new ATOM 0 HA PHE A 47 2.245 -0.701 0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.159 1.381 -0.685 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.557 0.573 -2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.400 0.574 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.629 1.315 -2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.918 1.051 2.144 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.944 1.783 -1.918 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.584 1.674 0.454 1.00 0.00 H new ATOM 470 N LEU A 48 0.975 -2.376 -1.995 1.00 0.00 N ATOM 471 CA LEU A 48 -0.045 -3.341 -2.450 1.00 0.00 C ATOM 472 C LEU A 48 0.216 -4.771 -1.944 1.00 0.00 C ATOM 473 O LEU A 48 -0.732 -5.506 -1.690 1.00 0.00 O ATOM 474 CB LEU A 48 -0.135 -3.313 -3.997 1.00 0.00 C ATOM 475 CG LEU A 48 -0.520 -1.936 -4.622 1.00 0.00 C ATOM 476 CD1 LEU A 48 -0.500 -2.001 -6.164 1.00 0.00 C ATOM 477 CD2 LEU A 48 -1.878 -1.439 -4.081 1.00 0.00 C ATOM 0 H LEU A 48 1.599 -2.067 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.999 -3.035 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.827 -3.621 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.868 -4.054 -4.315 1.00 0.00 H new ATOM 0 HG LEU A 48 0.231 -1.206 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.772 -1.028 -6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.500 -2.271 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.214 -2.751 -6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.120 -0.478 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.655 -2.163 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.819 -1.325 -2.999 1.00 0.00 H new ATOM 489 N GLN A 49 1.497 -5.158 -1.791 1.00 0.00 N ATOM 490 CA GLN A 49 1.849 -6.517 -1.309 1.00 0.00 C ATOM 491 C GLN A 49 1.780 -6.599 0.225 1.00 0.00 C ATOM 492 O GLN A 49 1.531 -7.672 0.787 1.00 0.00 O ATOM 493 CB GLN A 49 3.240 -6.968 -1.827 1.00 0.00 C ATOM 494 CG GLN A 49 4.445 -6.228 -1.206 1.00 0.00 C ATOM 495 CD GLN A 49 5.811 -6.770 -1.644 1.00 0.00 C ATOM 496 OE1 GLN A 49 6.765 -6.749 -0.869 1.00 0.00 O ATOM 497 NE2 GLN A 49 5.934 -7.227 -2.884 1.00 0.00 N ATOM 0 H GLN A 49 2.300 -4.561 -1.990 1.00 0.00 H new ATOM 0 HA GLN A 49 1.109 -7.205 -1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.352 -8.035 -1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.269 -6.832 -2.908 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.384 -5.172 -1.471 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.374 -6.289 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.127 -7.234 -3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.836 -7.572 -3.213 1.00 0.00 H new ATOM 506 N GLU A 50 2.008 -5.451 0.886 1.00 0.00 N ATOM 507 CA GLU A 50 1.995 -5.346 2.357 1.00 0.00 C ATOM 508 C GLU A 50 0.567 -5.514 2.904 1.00 0.00 C ATOM 509 O GLU A 50 0.359 -6.060 3.989 1.00 0.00 O ATOM 510 CB GLU A 50 2.557 -3.965 2.792 1.00 0.00 C ATOM 511 CG GLU A 50 2.840 -3.805 4.300 1.00 0.00 C ATOM 512 CD GLU A 50 3.986 -4.707 4.798 1.00 0.00 C ATOM 513 OE1 GLU A 50 5.168 -4.370 4.560 1.00 0.00 O ATOM 514 OE2 GLU A 50 3.722 -5.766 5.402 1.00 0.00 O ATOM 0 H GLU A 50 2.207 -4.568 0.416 1.00 0.00 H new ATOM 0 HA GLU A 50 2.620 -6.141 2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.482 -3.781 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.849 -3.193 2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.088 -2.764 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.934 -4.036 4.860 1.00 0.00 H new ATOM 521 N HIS A 51 -0.412 -5.030 2.116 1.00 0.00 N ATOM 522 CA HIS A 51 -1.819 -4.925 2.543 1.00 0.00 C ATOM 523 C HIS A 51 -2.736 -5.891 1.778 1.00 0.00 C ATOM 524 O HIS A 51 -3.603 -6.527 2.382 1.00 0.00 O ATOM 525 CB HIS A 51 -2.284 -3.464 2.397 1.00 0.00 C ATOM 526 CG HIS A 51 -1.682 -2.555 3.438 1.00 0.00 C ATOM 527 ND1 HIS A 51 -0.551 -1.801 3.228 1.00 0.00 N ATOM 528 CD2 HIS A 51 -2.045 -2.334 4.724 1.00 0.00 C ATOM 529 CE1 HIS A 51 -0.246 -1.157 4.340 1.00 0.00 C ATOM 530 NE2 HIS A 51 -1.138 -1.465 5.266 1.00 0.00 N ATOM 0 H HIS A 51 -0.249 -4.701 1.165 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.885 -5.220 3.590 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.018 -3.100 1.405 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.371 -3.424 2.470 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -0.030 -1.748 2.352 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.896 -2.766 5.230 1.00 0.00 H new ATOM 0 HE1 HIS A 51 0.593 -0.490 4.471 1.00 0.00 H new ATOM 539 N GLY A 52 -2.545 -5.995 0.455 1.00 0.00 N ATOM 540 CA GLY A 52 -3.232 -7.003 -0.365 1.00 0.00 C ATOM 541 C GLY A 52 -2.806 -8.422 0.002 1.00 0.00 C ATOM 542 O GLY A 52 -1.603 -8.678 0.138 1.00 0.00 O ATOM 0 H GLY A 52 -1.916 -5.389 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.310 -6.903 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.019 -6.821 -1.418 1.00 0.00 H new ATOM 546 N SER A 53 -3.782 -9.336 0.177 1.00 0.00 N ATOM 547 CA SER A 53 -3.501 -10.734 0.575 1.00 0.00 C ATOM 548 C SER A 53 -3.059 -11.559 -0.654 1.00 0.00 C ATOM 549 O SER A 53 -3.224 -11.118 -1.789 1.00 0.00 O ATOM 550 CB SER A 53 -4.737 -11.360 1.270 1.00 0.00 C ATOM 551 OG SER A 53 -4.430 -12.625 1.834 1.00 0.00 O ATOM 0 H SER A 53 -4.773 -9.132 0.049 1.00 0.00 H new ATOM 0 HA SER A 53 -2.682 -10.741 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.095 -10.689 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.546 -11.469 0.548 1.00 0.00 H new ATOM 0 HG SER A 53 -5.229 -12.993 2.266 1.00 0.00 H new ATOM 557 N ASP A 54 -2.545 -12.776 -0.400 1.00 0.00 N ATOM 558 CA ASP A 54 -1.858 -13.625 -1.411 1.00 0.00 C ATOM 559 C ASP A 54 -2.742 -13.972 -2.636 1.00 0.00 C ATOM 560 O ASP A 54 -2.234 -14.073 -3.758 1.00 0.00 O ATOM 561 CB ASP A 54 -1.335 -14.929 -0.745 1.00 0.00 C ATOM 562 CG ASP A 54 -2.457 -15.774 -0.115 1.00 0.00 C ATOM 563 OD1 ASP A 54 -2.866 -15.471 1.032 1.00 0.00 O ATOM 564 OD2 ASP A 54 -2.949 -16.729 -0.762 1.00 0.00 O ATOM 0 H ASP A 54 -2.592 -13.210 0.522 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.024 -13.035 -1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.812 -15.527 -1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.607 -14.671 0.024 1.00 0.00 H new ATOM 569 N SER A 55 -4.058 -14.150 -2.407 1.00 0.00 N ATOM 570 CA SER A 55 -5.020 -14.498 -3.482 1.00 0.00 C ATOM 571 C SER A 55 -5.298 -13.298 -4.410 1.00 0.00 C ATOM 572 O SER A 55 -5.677 -13.479 -5.565 1.00 0.00 O ATOM 573 CB SER A 55 -6.331 -15.049 -2.880 1.00 0.00 C ATOM 574 OG SER A 55 -6.059 -16.149 -2.021 1.00 0.00 O ATOM 0 H SER A 55 -4.484 -14.059 -1.485 1.00 0.00 H new ATOM 0 HA SER A 55 -4.566 -15.279 -4.092 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.842 -14.263 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.003 -15.361 -3.680 1.00 0.00 H new ATOM 0 HG SER A 55 -6.899 -16.486 -1.646 1.00 0.00 H new ATOM 580 N PHE A 56 -5.109 -12.084 -3.882 1.00 0.00 N ATOM 581 CA PHE A 56 -5.098 -10.849 -4.676 1.00 0.00 C ATOM 582 C PHE A 56 -3.763 -10.747 -5.439 1.00 0.00 C ATOM 583 O PHE A 56 -3.739 -10.555 -6.665 1.00 0.00 O ATOM 584 CB PHE A 56 -5.301 -9.617 -3.743 1.00 0.00 C ATOM 585 CG PHE A 56 -5.060 -8.265 -4.413 1.00 0.00 C ATOM 586 CD1 PHE A 56 -5.987 -7.733 -5.304 1.00 0.00 C ATOM 587 CD2 PHE A 56 -3.890 -7.539 -4.164 1.00 0.00 C ATOM 588 CE1 PHE A 56 -5.750 -6.522 -5.926 1.00 0.00 C ATOM 589 CE2 PHE A 56 -3.659 -6.328 -4.784 1.00 0.00 C ATOM 590 CZ PHE A 56 -4.587 -5.826 -5.665 1.00 0.00 C ATOM 0 H PHE A 56 -4.958 -11.929 -2.885 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.914 -10.866 -5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.318 -9.638 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.629 -9.710 -2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.900 -8.271 -5.511 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.156 -7.933 -3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.476 -6.120 -6.617 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.753 -5.777 -4.578 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.405 -4.881 -6.156 1.00 0.00 H new ATOM 600 N LEU A 57 -2.662 -10.932 -4.683 1.00 0.00 N ATOM 601 CA LEU A 57 -1.295 -10.649 -5.147 1.00 0.00 C ATOM 602 C LEU A 57 -0.924 -11.475 -6.380 1.00 0.00 C ATOM 603 O LEU A 57 -0.501 -10.913 -7.366 1.00 0.00 O ATOM 604 CB LEU A 57 -0.267 -10.881 -4.014 1.00 0.00 C ATOM 605 CG LEU A 57 -0.383 -9.943 -2.778 1.00 0.00 C ATOM 606 CD1 LEU A 57 0.759 -10.194 -1.776 1.00 0.00 C ATOM 607 CD2 LEU A 57 -0.471 -8.463 -3.202 1.00 0.00 C ATOM 0 H LEU A 57 -2.700 -11.285 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.268 -9.598 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.361 -11.912 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.734 -10.774 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.314 -10.181 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.649 -9.523 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.720 -11.227 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.717 -10.009 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.551 -7.835 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.425 -8.191 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.349 -8.316 -3.831 1.00 0.00 H new ATOM 619 N ALA A 58 -1.137 -12.799 -6.315 1.00 0.00 N ATOM 620 CA ALA A 58 -0.740 -13.745 -7.385 1.00 0.00 C ATOM 621 C ALA A 58 -1.431 -13.430 -8.728 1.00 0.00 C ATOM 622 O ALA A 58 -0.812 -13.528 -9.791 1.00 0.00 O ATOM 623 CB ALA A 58 -1.039 -15.190 -6.952 1.00 0.00 C ATOM 0 H ALA A 58 -1.590 -13.250 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 58 0.333 -13.630 -7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.743 -15.876 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.480 -15.421 -6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.106 -15.298 -6.758 1.00 0.00 H new ATOM 629 N GLU A 59 -2.713 -13.034 -8.652 1.00 0.00 N ATOM 630 CA GLU A 59 -3.521 -12.678 -9.837 1.00 0.00 C ATOM 631 C GLU A 59 -3.011 -11.387 -10.524 1.00 0.00 C ATOM 632 O GLU A 59 -3.288 -11.157 -11.713 1.00 0.00 O ATOM 633 CB GLU A 59 -5.005 -12.523 -9.428 1.00 0.00 C ATOM 634 CG GLU A 59 -5.603 -13.750 -8.718 1.00 0.00 C ATOM 635 CD GLU A 59 -5.550 -15.041 -9.551 1.00 0.00 C ATOM 636 OE1 GLU A 59 -6.484 -15.284 -10.345 1.00 0.00 O ATOM 637 OE2 GLU A 59 -4.570 -15.824 -9.421 1.00 0.00 O ATOM 0 H GLU A 59 -3.220 -12.951 -7.771 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.424 -13.485 -10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.099 -11.658 -8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.595 -12.312 -10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.069 -13.912 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.641 -13.538 -8.460 1.00 0.00 H new ATOM 644 N HIS A 60 -2.299 -10.533 -9.765 1.00 0.00 N ATOM 645 CA HIS A 60 -1.673 -9.294 -10.291 1.00 0.00 C ATOM 646 C HIS A 60 -0.130 -9.354 -10.185 1.00 0.00 C ATOM 647 O HIS A 60 0.545 -8.356 -10.429 1.00 0.00 O ATOM 648 CB HIS A 60 -2.231 -8.058 -9.530 1.00 0.00 C ATOM 649 CG HIS A 60 -3.734 -7.932 -9.589 1.00 0.00 C ATOM 650 ND1 HIS A 60 -4.406 -7.340 -10.637 1.00 0.00 N ATOM 651 CD2 HIS A 60 -4.691 -8.357 -8.734 1.00 0.00 C ATOM 652 CE1 HIS A 60 -5.702 -7.407 -10.424 1.00 0.00 C ATOM 653 NE2 HIS A 60 -5.903 -8.027 -9.274 1.00 0.00 N ATOM 0 H HIS A 60 -2.138 -10.678 -8.768 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.924 -9.203 -11.348 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.922 -8.116 -8.486 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.784 -7.155 -9.946 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.528 -8.865 -7.795 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.471 -7.021 -11.077 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.813 -8.226 -8.858 1.00 0.00 H new ATOM 662 N LYS A 61 0.398 -10.534 -9.795 1.00 0.00 N ATOM 663 CA LYS A 61 1.850 -10.802 -9.607 1.00 0.00 C ATOM 664 C LYS A 61 2.565 -9.703 -8.784 1.00 0.00 C ATOM 665 O LYS A 61 3.667 -9.278 -9.121 1.00 0.00 O ATOM 666 CB LYS A 61 2.539 -11.050 -10.978 1.00 0.00 C ATOM 667 CG LYS A 61 1.993 -12.269 -11.755 1.00 0.00 C ATOM 668 CD LYS A 61 2.858 -12.645 -12.982 1.00 0.00 C ATOM 669 CE LYS A 61 4.294 -13.067 -12.592 1.00 0.00 C ATOM 670 NZ LYS A 61 5.082 -13.522 -13.766 1.00 0.00 N ATOM 0 H LYS A 61 -0.182 -11.349 -9.596 1.00 0.00 H new ATOM 0 HA LYS A 61 1.938 -11.712 -9.013 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.423 -10.159 -11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.608 -11.188 -10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.936 -13.125 -11.082 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.977 -12.055 -12.086 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.378 -13.460 -13.524 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.906 -11.795 -13.662 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.802 -12.227 -12.119 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.248 -13.868 -11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.037 -13.795 -13.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.612 -14.340 -14.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.149 -12.750 -14.459 1.00 0.00 H new ATOM 684 N LEU A 62 1.925 -9.283 -7.675 1.00 0.00 N ATOM 685 CA LEU A 62 2.437 -8.230 -6.773 1.00 0.00 C ATOM 686 C LEU A 62 3.237 -8.820 -5.595 1.00 0.00 C ATOM 687 O LEU A 62 3.910 -8.073 -4.879 1.00 0.00 O ATOM 688 CB LEU A 62 1.248 -7.366 -6.269 1.00 0.00 C ATOM 689 CG LEU A 62 0.642 -6.391 -7.324 1.00 0.00 C ATOM 690 CD1 LEU A 62 -0.704 -5.809 -6.853 1.00 0.00 C ATOM 691 CD2 LEU A 62 1.649 -5.267 -7.669 1.00 0.00 C ATOM 0 H LEU A 62 1.029 -9.668 -7.376 1.00 0.00 H new ATOM 0 HA LEU A 62 3.129 -7.600 -7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.459 -8.031 -5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.581 -6.784 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 62 0.445 -6.962 -8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.095 -5.134 -7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.413 -6.620 -6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.558 -5.260 -5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.208 -4.597 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.890 -4.705 -6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.559 -5.707 -8.077 1.00 0.00 H new ATOM 703 N LEU A 63 3.165 -10.159 -5.405 1.00 0.00 N ATOM 704 CA LEU A 63 3.905 -10.861 -4.327 1.00 0.00 C ATOM 705 C LEU A 63 5.383 -11.085 -4.700 1.00 0.00 C ATOM 706 O LEU A 63 5.847 -10.675 -5.776 1.00 0.00 O ATOM 707 CB LEU A 63 3.185 -12.199 -3.921 1.00 0.00 C ATOM 708 CG LEU A 63 2.691 -13.163 -5.060 1.00 0.00 C ATOM 709 CD1 LEU A 63 3.846 -13.779 -5.882 1.00 0.00 C ATOM 710 CD2 LEU A 63 1.761 -14.262 -4.481 1.00 0.00 C ATOM 0 H LEU A 63 2.600 -10.778 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 63 3.901 -10.215 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.867 -12.762 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.321 -11.938 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 63 2.120 -12.553 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.436 -14.434 -6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.422 -12.983 -6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.495 -14.355 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.430 -14.919 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.305 -14.844 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.894 -13.796 -4.013 1.00 0.00 H new ATOM 722 N GLY A 64 6.100 -11.752 -3.784 1.00 0.00 N ATOM 723 CA GLY A 64 7.500 -12.107 -3.975 1.00 0.00 C ATOM 724 C GLY A 64 8.427 -10.922 -3.758 1.00 0.00 C ATOM 725 O GLY A 64 8.187 -10.097 -2.867 1.00 0.00 O ATOM 0 H GLY A 64 5.717 -12.058 -2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.768 -12.907 -3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.640 -12.496 -4.984 1.00 0.00 H new ATOM 729 N ASN A 65 9.490 -10.834 -4.570 1.00 0.00 N ATOM 730 CA ASN A 65 10.450 -9.724 -4.514 1.00 0.00 C ATOM 731 C ASN A 65 9.887 -8.531 -5.297 1.00 0.00 C ATOM 732 O ASN A 65 9.433 -8.692 -6.435 1.00 0.00 O ATOM 733 CB ASN A 65 11.829 -10.155 -5.090 1.00 0.00 C ATOM 734 CG ASN A 65 12.477 -11.313 -4.324 1.00 0.00 C ATOM 735 OD1 ASN A 65 12.240 -11.499 -3.126 1.00 0.00 O ATOM 736 ND2 ASN A 65 13.313 -12.093 -5.001 1.00 0.00 N ATOM 0 H ASN A 65 9.708 -11.530 -5.283 1.00 0.00 H new ATOM 0 HA ASN A 65 10.602 -9.435 -3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.703 -10.445 -6.133 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.503 -9.299 -5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.779 -12.870 -4.532 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.489 -11.915 -5.990 1.00 0.00 H new ATOM 743 N ILE A 66 9.918 -7.340 -4.671 1.00 0.00 N ATOM 744 CA ILE A 66 9.427 -6.084 -5.281 1.00 0.00 C ATOM 745 C ILE A 66 10.166 -5.800 -6.609 1.00 0.00 C ATOM 746 O ILE A 66 9.544 -5.363 -7.576 1.00 0.00 O ATOM 747 CB ILE A 66 9.609 -4.870 -4.291 1.00 0.00 C ATOM 748 CG1 ILE A 66 8.883 -5.151 -2.939 1.00 0.00 C ATOM 749 CG2 ILE A 66 9.114 -3.546 -4.917 1.00 0.00 C ATOM 750 CD1 ILE A 66 9.096 -4.109 -1.845 1.00 0.00 C ATOM 0 H ILE A 66 10.284 -7.218 -3.727 1.00 0.00 H new ATOM 0 HA ILE A 66 8.364 -6.205 -5.489 1.00 0.00 H new ATOM 0 HB ILE A 66 10.675 -4.759 -4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.814 -5.235 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.216 -6.119 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.255 -2.732 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.681 -3.338 -5.824 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.056 -3.633 -5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.547 -4.403 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.158 -4.038 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.735 -3.140 -2.190 1.00 0.00 H new ATOM 762 N LYS A 67 11.492 -6.054 -6.632 1.00 0.00 N ATOM 763 CA LYS A 67 12.332 -5.896 -7.846 1.00 0.00 C ATOM 764 C LYS A 67 11.777 -6.713 -9.035 1.00 0.00 C ATOM 765 O LYS A 67 11.664 -6.194 -10.151 1.00 0.00 O ATOM 766 CB LYS A 67 13.787 -6.344 -7.570 1.00 0.00 C ATOM 767 CG LYS A 67 14.539 -5.533 -6.496 1.00 0.00 C ATOM 768 CD LYS A 67 16.033 -5.933 -6.403 1.00 0.00 C ATOM 769 CE LYS A 67 16.248 -7.384 -5.937 1.00 0.00 C ATOM 770 NZ LYS A 67 15.779 -7.606 -4.545 1.00 0.00 N ATOM 0 H LYS A 67 12.012 -6.373 -5.815 1.00 0.00 H new ATOM 0 HA LYS A 67 12.314 -4.838 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.775 -7.391 -7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.349 -6.288 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.462 -4.470 -6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.062 -5.685 -5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.499 -5.800 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.540 -5.258 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.719 -8.061 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.307 -7.631 -6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.006 -8.578 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.252 -6.934 -3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.750 -7.462 -4.498 1.00 0.00 H new ATOM 784 N ASN A 68 11.458 -8.001 -8.766 1.00 0.00 N ATOM 785 CA ASN A 68 10.868 -8.934 -9.767 1.00 0.00 C ATOM 786 C ASN A 68 9.594 -8.355 -10.397 1.00 0.00 C ATOM 787 O ASN A 68 9.378 -8.481 -11.602 1.00 0.00 O ATOM 788 CB ASN A 68 10.533 -10.319 -9.132 1.00 0.00 C ATOM 789 CG ASN A 68 11.757 -11.127 -8.714 1.00 0.00 C ATOM 790 OD1 ASN A 68 12.787 -10.574 -8.328 1.00 0.00 O ATOM 791 ND2 ASN A 68 11.635 -12.450 -8.761 1.00 0.00 N ATOM 0 H ASN A 68 11.601 -8.427 -7.850 1.00 0.00 H new ATOM 0 HA ASN A 68 11.622 -9.068 -10.543 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.899 -10.162 -8.259 1.00 0.00 H new ATOM 0 HB3 ASN A 68 9.953 -10.903 -9.846 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.412 -13.044 -8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.765 -12.871 -9.087 1.00 0.00 H new ATOM 798 N VAL A 69 8.759 -7.736 -9.552 1.00 0.00 N ATOM 799 CA VAL A 69 7.503 -7.116 -9.994 1.00 0.00 C ATOM 800 C VAL A 69 7.790 -5.806 -10.773 1.00 0.00 C ATOM 801 O VAL A 69 7.170 -5.542 -11.786 1.00 0.00 O ATOM 802 CB VAL A 69 6.544 -6.819 -8.778 1.00 0.00 C ATOM 803 CG1 VAL A 69 5.142 -6.336 -9.260 1.00 0.00 C ATOM 804 CG2 VAL A 69 6.420 -8.053 -7.840 1.00 0.00 C ATOM 0 H VAL A 69 8.933 -7.651 -8.551 1.00 0.00 H new ATOM 0 HA VAL A 69 7.002 -7.824 -10.654 1.00 0.00 H new ATOM 0 HB VAL A 69 6.991 -6.008 -8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.507 -6.141 -8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.253 -5.422 -9.843 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.684 -7.108 -9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.752 -7.815 -7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.017 -8.897 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.404 -8.313 -7.449 1.00 0.00 H new ATOM 814 N ALA A 70 8.784 -5.031 -10.314 1.00 0.00 N ATOM 815 CA ALA A 70 9.089 -3.680 -10.857 1.00 0.00 C ATOM 816 C ALA A 70 9.767 -3.737 -12.243 1.00 0.00 C ATOM 817 O ALA A 70 9.638 -2.796 -13.038 1.00 0.00 O ATOM 818 CB ALA A 70 9.953 -2.894 -9.851 1.00 0.00 C ATOM 0 H ALA A 70 9.405 -5.315 -9.556 1.00 0.00 H new ATOM 0 HA ALA A 70 8.141 -3.161 -11.000 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.173 -1.906 -10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.412 -2.790 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.886 -3.430 -9.676 1.00 0.00 H new ATOM 824 N LYS A 71 10.472 -4.848 -12.529 1.00 0.00 N ATOM 825 CA LYS A 71 11.243 -5.007 -13.788 1.00 0.00 C ATOM 826 C LYS A 71 10.340 -5.447 -14.963 1.00 0.00 C ATOM 827 O LYS A 71 10.730 -5.305 -16.126 1.00 0.00 O ATOM 828 CB LYS A 71 12.415 -6.018 -13.594 1.00 0.00 C ATOM 829 CG LYS A 71 11.971 -7.448 -13.214 1.00 0.00 C ATOM 830 CD LYS A 71 13.150 -8.425 -13.003 1.00 0.00 C ATOM 831 CE LYS A 71 13.964 -8.697 -14.282 1.00 0.00 C ATOM 832 NZ LYS A 71 15.069 -9.657 -14.035 1.00 0.00 N ATOM 0 H LYS A 71 10.527 -5.654 -11.906 1.00 0.00 H new ATOM 0 HA LYS A 71 11.659 -4.031 -14.039 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.995 -6.064 -14.516 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.080 -5.639 -12.818 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.378 -7.405 -12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.322 -7.839 -13.998 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.814 -8.020 -12.239 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.764 -9.370 -12.621 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.305 -9.091 -15.056 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.373 -7.760 -14.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.595 -9.816 -14.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.711 -9.269 -13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.676 -10.559 -13.699 1.00 0.00 H new ATOM 846 N THR A 72 9.142 -5.990 -14.653 1.00 0.00 N ATOM 847 CA THR A 72 8.224 -6.563 -15.668 1.00 0.00 C ATOM 848 C THR A 72 6.872 -5.810 -15.709 1.00 0.00 C ATOM 849 O THR A 72 6.265 -5.662 -16.777 1.00 0.00 O ATOM 850 CB THR A 72 7.988 -8.094 -15.395 1.00 0.00 C ATOM 851 OG1 THR A 72 7.132 -8.679 -16.402 1.00 0.00 O ATOM 852 CG2 THR A 72 7.394 -8.354 -14.005 1.00 0.00 C ATOM 0 H THR A 72 8.784 -6.044 -13.699 1.00 0.00 H new ATOM 0 HA THR A 72 8.698 -6.445 -16.642 1.00 0.00 H new ATOM 0 HB THR A 72 8.969 -8.566 -15.438 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.003 -9.631 -16.209 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.250 -9.425 -13.865 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.075 -7.977 -13.242 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.434 -7.845 -13.918 1.00 0.00 H new ATOM 860 N ALA A 73 6.409 -5.346 -14.538 1.00 0.00 N ATOM 861 CA ALA A 73 5.089 -4.717 -14.380 1.00 0.00 C ATOM 862 C ALA A 73 5.224 -3.193 -14.397 1.00 0.00 C ATOM 863 O ALA A 73 6.180 -2.637 -13.844 1.00 0.00 O ATOM 864 CB ALA A 73 4.415 -5.203 -13.089 1.00 0.00 C ATOM 0 H ALA A 73 6.942 -5.397 -13.670 1.00 0.00 H new ATOM 0 HA ALA A 73 4.455 -5.009 -15.217 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.439 -4.728 -12.987 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.290 -6.285 -13.129 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.037 -4.941 -12.233 1.00 0.00 H new ATOM 870 N ASN A 74 4.257 -2.535 -15.040 1.00 0.00 N ATOM 871 CA ASN A 74 4.256 -1.074 -15.237 1.00 0.00 C ATOM 872 C ASN A 74 3.395 -0.375 -14.173 1.00 0.00 C ATOM 873 O ASN A 74 2.731 -1.029 -13.360 1.00 0.00 O ATOM 874 CB ASN A 74 3.762 -0.716 -16.666 1.00 0.00 C ATOM 875 CG ASN A 74 2.317 -1.133 -16.966 1.00 0.00 C ATOM 876 OD1 ASN A 74 1.831 -2.147 -16.475 1.00 0.00 O ATOM 877 ND2 ASN A 74 1.623 -0.352 -17.778 1.00 0.00 N ATOM 0 H ASN A 74 3.444 -3.000 -15.444 1.00 0.00 H new ATOM 0 HA ASN A 74 5.280 -0.717 -15.128 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.852 0.361 -16.808 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.421 -1.190 -17.393 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.658 -0.587 -18.010 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.053 0.485 -18.172 1.00 0.00 H new ATOM 884 N LYS A 75 3.410 0.961 -14.215 1.00 0.00 N ATOM 885 CA LYS A 75 2.702 1.821 -13.255 1.00 0.00 C ATOM 886 C LYS A 75 1.176 1.738 -13.450 1.00 0.00 C ATOM 887 O LYS A 75 0.429 1.699 -12.469 1.00 0.00 O ATOM 888 CB LYS A 75 3.229 3.261 -13.410 1.00 0.00 C ATOM 889 CG LYS A 75 2.590 4.316 -12.481 1.00 0.00 C ATOM 890 CD LYS A 75 3.424 5.617 -12.451 1.00 0.00 C ATOM 891 CE LYS A 75 4.759 5.430 -11.714 1.00 0.00 C ATOM 892 NZ LYS A 75 5.639 6.607 -11.858 1.00 0.00 N ATOM 0 H LYS A 75 3.921 1.485 -14.926 1.00 0.00 H new ATOM 0 HA LYS A 75 2.895 1.479 -12.238 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.305 3.255 -13.235 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.076 3.574 -14.443 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.578 4.538 -12.821 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.506 3.912 -11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.617 5.947 -13.472 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.849 6.405 -11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.567 5.248 -10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.267 4.547 -12.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.384 6.574 -11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.074 6.602 -12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.079 7.475 -11.739 1.00 0.00 H new ATOM 906 N ASP A 76 0.732 1.670 -14.722 1.00 0.00 N ATOM 907 CA ASP A 76 -0.707 1.564 -15.087 1.00 0.00 C ATOM 908 C ASP A 76 -1.346 0.300 -14.458 1.00 0.00 C ATOM 909 O ASP A 76 -2.499 0.327 -14.004 1.00 0.00 O ATOM 910 CB ASP A 76 -0.860 1.539 -16.635 1.00 0.00 C ATOM 911 CG ASP A 76 -2.299 1.274 -17.123 1.00 0.00 C ATOM 912 OD1 ASP A 76 -3.167 2.157 -16.975 1.00 0.00 O ATOM 913 OD2 ASP A 76 -2.573 0.174 -17.654 1.00 0.00 O ATOM 0 H ASP A 76 1.356 1.687 -15.529 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.230 2.435 -14.693 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.521 2.494 -17.038 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.203 0.770 -17.042 1.00 0.00 H new ATOM 918 N HIS A 77 -0.551 -0.789 -14.416 1.00 0.00 N ATOM 919 CA HIS A 77 -0.898 -2.053 -13.737 1.00 0.00 C ATOM 920 C HIS A 77 -1.158 -1.816 -12.242 1.00 0.00 C ATOM 921 O HIS A 77 -2.145 -2.309 -11.692 1.00 0.00 O ATOM 922 CB HIS A 77 0.256 -3.090 -13.940 1.00 0.00 C ATOM 923 CG HIS A 77 0.320 -4.191 -12.913 1.00 0.00 C ATOM 924 ND1 HIS A 77 1.390 -4.357 -12.070 1.00 0.00 N ATOM 925 CD2 HIS A 77 -0.558 -5.162 -12.588 1.00 0.00 C ATOM 926 CE1 HIS A 77 1.162 -5.376 -11.274 1.00 0.00 C ATOM 927 NE2 HIS A 77 -0.013 -5.885 -11.569 1.00 0.00 N ATOM 0 H HIS A 77 0.366 -0.814 -14.861 1.00 0.00 H new ATOM 0 HA HIS A 77 -1.814 -2.450 -14.175 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.147 -3.541 -14.926 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.207 -2.557 -13.936 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.518 -5.335 -13.051 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.829 -5.736 -10.505 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.445 -6.688 -11.112 1.00 0.00 H new ATOM 936 N LEU A 78 -0.241 -1.075 -11.601 1.00 0.00 N ATOM 937 CA LEU A 78 -0.233 -0.880 -10.137 1.00 0.00 C ATOM 938 C LEU A 78 -1.457 -0.096 -9.668 1.00 0.00 C ATOM 939 O LEU A 78 -2.064 -0.438 -8.657 1.00 0.00 O ATOM 940 CB LEU A 78 1.057 -0.155 -9.700 1.00 0.00 C ATOM 941 CG LEU A 78 2.379 -0.829 -10.140 1.00 0.00 C ATOM 942 CD1 LEU A 78 3.590 -0.020 -9.674 1.00 0.00 C ATOM 943 CD2 LEU A 78 2.451 -2.294 -9.669 1.00 0.00 C ATOM 0 H LEU A 78 0.518 -0.592 -12.081 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.267 -1.866 -9.673 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.036 0.859 -10.098 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.056 -0.071 -8.613 1.00 0.00 H new ATOM 0 HG LEU A 78 2.398 -0.846 -11.230 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.505 -0.516 -9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.548 0.980 -10.106 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.582 0.054 -8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.393 -2.735 -9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.392 -2.330 -8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.620 -2.855 -10.096 1.00 0.00 H new ATOM 955 N VAL A 79 -1.810 0.941 -10.444 1.00 0.00 N ATOM 956 CA VAL A 79 -2.948 1.832 -10.160 1.00 0.00 C ATOM 957 C VAL A 79 -4.280 1.068 -10.294 1.00 0.00 C ATOM 958 O VAL A 79 -5.165 1.178 -9.438 1.00 0.00 O ATOM 959 CB VAL A 79 -2.936 3.074 -11.121 1.00 0.00 C ATOM 960 CG1 VAL A 79 -4.078 4.064 -10.772 1.00 0.00 C ATOM 961 CG2 VAL A 79 -1.550 3.767 -11.098 1.00 0.00 C ATOM 0 H VAL A 79 -1.308 1.188 -11.297 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.851 2.188 -9.134 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.115 2.723 -12.137 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.044 4.914 -11.454 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.039 3.559 -10.868 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.954 4.416 -9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.561 4.625 -11.770 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.328 4.102 -10.085 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.785 3.062 -11.423 1.00 0.00 H new ATOM 971 N THR A 80 -4.390 0.276 -11.375 1.00 0.00 N ATOM 972 CA THR A 80 -5.554 -0.595 -11.633 1.00 0.00 C ATOM 973 C THR A 80 -5.748 -1.609 -10.487 1.00 0.00 C ATOM 974 O THR A 80 -6.835 -1.700 -9.915 1.00 0.00 O ATOM 975 CB THR A 80 -5.386 -1.334 -12.999 1.00 0.00 C ATOM 976 OG1 THR A 80 -5.313 -0.364 -14.058 1.00 0.00 O ATOM 977 CG2 THR A 80 -6.532 -2.336 -13.289 1.00 0.00 C ATOM 0 H THR A 80 -3.672 0.221 -12.098 1.00 0.00 H new ATOM 0 HA THR A 80 -6.445 0.031 -11.683 1.00 0.00 H new ATOM 0 HB THR A 80 -4.465 -1.914 -12.942 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.391 -0.042 -14.144 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.359 -2.818 -14.251 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.561 -3.092 -12.505 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.483 -1.804 -13.315 1.00 0.00 H new ATOM 985 N ALA A 81 -4.666 -2.310 -10.113 1.00 0.00 N ATOM 986 CA ALA A 81 -4.678 -3.313 -9.029 1.00 0.00 C ATOM 987 C ALA A 81 -5.036 -2.661 -7.674 1.00 0.00 C ATOM 988 O ALA A 81 -5.778 -3.230 -6.874 1.00 0.00 O ATOM 989 CB ALA A 81 -3.308 -4.007 -8.951 1.00 0.00 C ATOM 0 H ALA A 81 -3.753 -2.199 -10.554 1.00 0.00 H new ATOM 0 HA ALA A 81 -5.443 -4.057 -9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.320 -4.746 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.096 -4.502 -9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.535 -3.265 -8.748 1.00 0.00 H new ATOM 995 N TYR A 82 -4.519 -1.438 -7.476 1.00 0.00 N ATOM 996 CA TYR A 82 -4.762 -0.602 -6.284 1.00 0.00 C ATOM 997 C TYR A 82 -6.268 -0.362 -6.056 1.00 0.00 C ATOM 998 O TYR A 82 -6.781 -0.639 -4.974 1.00 0.00 O ATOM 999 CB TYR A 82 -3.972 0.730 -6.461 1.00 0.00 C ATOM 1000 CG TYR A 82 -4.415 1.939 -5.624 1.00 0.00 C ATOM 1001 CD1 TYR A 82 -5.400 2.816 -6.103 1.00 0.00 C ATOM 1002 CD2 TYR A 82 -3.816 2.243 -4.400 1.00 0.00 C ATOM 1003 CE1 TYR A 82 -5.766 3.937 -5.403 1.00 0.00 C ATOM 1004 CE2 TYR A 82 -4.194 3.366 -3.688 1.00 0.00 C ATOM 1005 CZ TYR A 82 -5.166 4.208 -4.201 1.00 0.00 C ATOM 1006 OH TYR A 82 -5.521 5.336 -3.524 1.00 0.00 O ATOM 0 H TYR A 82 -3.905 -0.990 -8.156 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.409 -1.115 -5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.924 0.531 -6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.023 1.013 -7.512 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.882 2.603 -7.046 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.049 1.594 -4.005 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.521 4.601 -5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.733 3.586 -2.736 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.756 5.947 -3.482 1.00 0.00 H new ATOM 1016 N ASN A 83 -6.964 0.148 -7.089 1.00 0.00 N ATOM 1017 CA ASN A 83 -8.403 0.493 -6.997 1.00 0.00 C ATOM 1018 C ASN A 83 -9.249 -0.774 -6.796 1.00 0.00 C ATOM 1019 O ASN A 83 -10.110 -0.828 -5.912 1.00 0.00 O ATOM 1020 CB ASN A 83 -8.888 1.270 -8.255 1.00 0.00 C ATOM 1021 CG ASN A 83 -8.315 2.690 -8.332 1.00 0.00 C ATOM 1022 OD1 ASN A 83 -8.816 3.607 -7.686 1.00 0.00 O ATOM 1023 ND2 ASN A 83 -7.288 2.895 -9.147 1.00 0.00 N ATOM 0 H ASN A 83 -6.554 0.333 -8.004 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.530 1.145 -6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.602 0.718 -9.150 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -9.977 1.322 -8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.896 3.831 -9.248 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.890 2.116 -9.672 1.00 0.00 H new ATOM 1030 N HIS A 84 -8.936 -1.810 -7.600 1.00 0.00 N ATOM 1031 CA HIS A 84 -9.634 -3.116 -7.581 1.00 0.00 C ATOM 1032 C HIS A 84 -9.428 -3.842 -6.235 1.00 0.00 C ATOM 1033 O HIS A 84 -10.273 -4.653 -5.838 1.00 0.00 O ATOM 1034 CB HIS A 84 -9.174 -4.007 -8.769 1.00 0.00 C ATOM 1035 CG HIS A 84 -9.684 -3.562 -10.116 1.00 0.00 C ATOM 1036 ND1 HIS A 84 -10.364 -4.394 -10.977 1.00 0.00 N ATOM 1037 CD2 HIS A 84 -9.606 -2.366 -10.749 1.00 0.00 C ATOM 1038 CE1 HIS A 84 -10.672 -3.732 -12.073 1.00 0.00 C ATOM 1039 NE2 HIS A 84 -10.225 -2.500 -11.958 1.00 0.00 N ATOM 0 H HIS A 84 -8.185 -1.765 -8.288 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.701 -2.924 -7.694 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.084 -4.024 -8.794 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.504 -5.030 -8.589 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.139 -1.470 -10.366 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.203 -4.133 -12.924 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.325 -1.765 -12.658 1.00 0.00 H new ATOM 1048 N LEU A 85 -8.310 -3.540 -5.544 1.00 0.00 N ATOM 1049 CA LEU A 85 -7.998 -4.091 -4.205 1.00 0.00 C ATOM 1050 C LEU A 85 -9.104 -3.745 -3.206 1.00 0.00 C ATOM 1051 O LEU A 85 -9.677 -4.619 -2.546 1.00 0.00 O ATOM 1052 CB LEU A 85 -6.643 -3.496 -3.701 1.00 0.00 C ATOM 1053 CG LEU A 85 -6.191 -3.843 -2.251 1.00 0.00 C ATOM 1054 CD1 LEU A 85 -6.205 -5.355 -2.016 1.00 0.00 C ATOM 1055 CD2 LEU A 85 -4.805 -3.222 -1.928 1.00 0.00 C ATOM 0 H LEU A 85 -7.594 -2.905 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.924 -5.176 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.859 -3.824 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.703 -2.411 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.910 -3.400 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.885 -5.568 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.215 -5.737 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.525 -5.839 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.518 -3.482 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.061 -3.609 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.861 -2.138 -2.023 1.00 0.00 H new ATOM 1067 N PHE A 86 -9.370 -2.441 -3.137 1.00 0.00 N ATOM 1068 CA PHE A 86 -10.337 -1.847 -2.213 1.00 0.00 C ATOM 1069 C PHE A 86 -11.784 -2.118 -2.677 1.00 0.00 C ATOM 1070 O PHE A 86 -12.695 -2.244 -1.857 1.00 0.00 O ATOM 1071 CB PHE A 86 -10.083 -0.332 -2.103 1.00 0.00 C ATOM 1072 CG PHE A 86 -8.613 0.084 -1.951 1.00 0.00 C ATOM 1073 CD1 PHE A 86 -7.751 -0.491 -1.007 1.00 0.00 C ATOM 1074 CD2 PHE A 86 -8.108 1.092 -2.742 1.00 0.00 C ATOM 1075 CE1 PHE A 86 -6.441 -0.032 -0.884 1.00 0.00 C ATOM 1076 CE2 PHE A 86 -6.818 1.527 -2.620 1.00 0.00 C ATOM 1077 CZ PHE A 86 -5.985 0.969 -1.693 1.00 0.00 C ATOM 0 H PHE A 86 -8.910 -1.754 -3.734 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.210 -2.305 -1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.489 0.152 -2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.641 0.051 -1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -8.103 -1.292 -0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.749 1.552 -3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.784 -0.469 -0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.455 2.317 -3.261 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.967 1.319 -1.600 1.00 0.00 H new ATOM 1087 N GLU A 87 -11.959 -2.222 -4.009 1.00 0.00 N ATOM 1088 CA GLU A 87 -13.274 -2.361 -4.663 1.00 0.00 C ATOM 1089 C GLU A 87 -13.924 -3.714 -4.337 1.00 0.00 C ATOM 1090 O GLU A 87 -15.149 -3.811 -4.224 1.00 0.00 O ATOM 1091 CB GLU A 87 -13.117 -2.202 -6.199 1.00 0.00 C ATOM 1092 CG GLU A 87 -14.440 -2.084 -6.993 1.00 0.00 C ATOM 1093 CD GLU A 87 -15.250 -0.818 -6.640 1.00 0.00 C ATOM 1094 OE1 GLU A 87 -14.860 0.286 -7.076 1.00 0.00 O ATOM 1095 OE2 GLU A 87 -16.273 -0.915 -5.919 1.00 0.00 O ATOM 0 H GLU A 87 -11.181 -2.212 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.927 -1.577 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.515 -1.315 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.559 -3.057 -6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.217 -2.079 -8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.052 -2.965 -6.800 1.00 0.00 H new ATOM 1102 N THR A 88 -13.093 -4.749 -4.160 1.00 0.00 N ATOM 1103 CA THR A 88 -13.539 -6.120 -3.837 1.00 0.00 C ATOM 1104 C THR A 88 -13.075 -6.534 -2.422 1.00 0.00 C ATOM 1105 O THR A 88 -13.492 -7.578 -1.909 1.00 0.00 O ATOM 1106 CB THR A 88 -12.986 -7.119 -4.901 1.00 0.00 C ATOM 1107 OG1 THR A 88 -11.561 -6.979 -4.980 1.00 0.00 O ATOM 1108 CG2 THR A 88 -13.590 -6.882 -6.306 1.00 0.00 C ATOM 0 H THR A 88 -12.080 -4.662 -4.237 1.00 0.00 H new ATOM 0 HA THR A 88 -14.629 -6.143 -3.854 1.00 0.00 H new ATOM 0 HB THR A 88 -13.267 -8.123 -4.584 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.339 -6.113 -5.381 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.172 -7.603 -7.008 1.00 0.00 H new ATOM 0 HG22 THR A 88 -14.672 -7.004 -6.262 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.352 -5.872 -6.639 1.00 0.00 H new ATOM 1116 N LYS A 89 -12.208 -5.694 -1.811 1.00 0.00 N ATOM 1117 CA LYS A 89 -11.738 -5.844 -0.415 1.00 0.00 C ATOM 1118 C LYS A 89 -10.941 -7.149 -0.199 1.00 0.00 C ATOM 1119 O LYS A 89 -11.041 -7.797 0.848 1.00 0.00 O ATOM 1120 CB LYS A 89 -12.928 -5.704 0.575 1.00 0.00 C ATOM 1121 CG LYS A 89 -13.697 -4.368 0.428 1.00 0.00 C ATOM 1122 CD LYS A 89 -14.848 -4.217 1.438 1.00 0.00 C ATOM 1123 CE LYS A 89 -14.357 -4.184 2.891 1.00 0.00 C ATOM 1124 NZ LYS A 89 -15.473 -4.010 3.849 1.00 0.00 N ATOM 0 H LYS A 89 -11.810 -4.881 -2.281 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.037 -5.035 -0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.620 -6.532 0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.554 -5.789 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.000 -3.539 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.098 -4.296 -0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -15.397 -3.300 1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.547 -5.044 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.827 -5.110 3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.643 -3.370 3.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.098 -3.993 4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.964 -3.115 3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.142 -4.800 3.750 1.00 0.00 H new ATOM 1138 N ARG A 90 -10.089 -7.468 -1.188 1.00 0.00 N ATOM 1139 CA ARG A 90 -9.241 -8.690 -1.199 1.00 0.00 C ATOM 1140 C ARG A 90 -8.015 -8.573 -0.271 1.00 0.00 C ATOM 1141 O ARG A 90 -7.247 -9.531 -0.128 1.00 0.00 O ATOM 1142 CB ARG A 90 -8.766 -8.969 -2.642 1.00 0.00 C ATOM 1143 CG ARG A 90 -9.881 -9.375 -3.615 1.00 0.00 C ATOM 1144 CD ARG A 90 -9.385 -9.433 -5.062 1.00 0.00 C ATOM 1145 NE ARG A 90 -10.393 -10.036 -5.958 1.00 0.00 N ATOM 1146 CZ ARG A 90 -10.901 -9.474 -7.063 1.00 0.00 C ATOM 1147 NH1 ARG A 90 -10.557 -8.239 -7.420 1.00 0.00 N ATOM 1148 NH2 ARG A 90 -11.777 -10.137 -7.792 1.00 0.00 N ATOM 0 H ARG A 90 -9.962 -6.884 -2.015 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.852 -9.512 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.273 -8.076 -3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.017 -9.761 -2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.276 -10.349 -3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.703 -8.663 -3.542 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.147 -8.427 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.463 -10.012 -5.108 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.734 -10.966 -5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.899 -7.708 -6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.952 -7.823 -8.264 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.066 -11.075 -7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.166 -9.712 -8.634 1.00 0.00 H new ATOM 1162 N PHE A 91 -7.817 -7.386 0.304 1.00 0.00 N ATOM 1163 CA PHE A 91 -6.751 -7.139 1.289 1.00 0.00 C ATOM 1164 C PHE A 91 -6.915 -8.000 2.557 1.00 0.00 C ATOM 1165 O PHE A 91 -8.031 -8.367 2.940 1.00 0.00 O ATOM 1166 CB PHE A 91 -6.660 -5.631 1.642 1.00 0.00 C ATOM 1167 CG PHE A 91 -7.995 -4.915 1.890 1.00 0.00 C ATOM 1168 CD1 PHE A 91 -8.749 -5.157 3.039 1.00 0.00 C ATOM 1169 CD2 PHE A 91 -8.477 -3.978 0.975 1.00 0.00 C ATOM 1170 CE1 PHE A 91 -9.937 -4.484 3.264 1.00 0.00 C ATOM 1171 CE2 PHE A 91 -9.663 -3.300 1.206 1.00 0.00 C ATOM 1172 CZ PHE A 91 -10.394 -3.556 2.348 1.00 0.00 C ATOM 0 H PHE A 91 -8.389 -6.565 0.103 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.811 -7.438 0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.042 -5.524 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.141 -5.119 0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.401 -5.879 3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.917 -3.778 0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -10.509 -4.685 4.158 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -10.016 -2.571 0.492 1.00 0.00 H new ATOM 0 HZ PHE A 91 -11.322 -3.032 2.525 1.00 0.00 H new ATOM 1182 N LYS A 92 -5.777 -8.304 3.177 1.00 0.00 N ATOM 1183 CA LYS A 92 -5.693 -9.122 4.384 1.00 0.00 C ATOM 1184 C LYS A 92 -6.202 -8.309 5.600 1.00 0.00 C ATOM 1185 O LYS A 92 -5.523 -7.349 6.004 1.00 0.00 O ATOM 1186 CB LYS A 92 -4.218 -9.586 4.555 1.00 0.00 C ATOM 1187 CG LYS A 92 -3.959 -10.548 5.730 1.00 0.00 C ATOM 1188 CD LYS A 92 -2.510 -11.080 5.736 1.00 0.00 C ATOM 1189 CE LYS A 92 -2.267 -12.108 6.852 1.00 0.00 C ATOM 1190 NZ LYS A 92 -0.935 -12.746 6.732 1.00 0.00 N ATOM 1191 OXT LYS A 92 -7.291 -8.618 6.135 1.00 0.00 O ATOM 0 H LYS A 92 -4.868 -7.981 2.847 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.325 -10.007 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.899 -10.072 3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.590 -8.704 4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.160 -10.034 6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.653 -11.387 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.290 -11.537 4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.820 -10.245 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.349 -11.618 7.822 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.042 -12.874 6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.808 -13.433 7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.866 -13.235 5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.195 -12.018 6.792 1.00 0.00 H new TER 1205 LYS A 92