USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 791 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 20 SER OG : rot -39:sc= 0.294 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.271 USER MOD Set 2.1: A 58 LYS NZ :NH3+ -125:sc= 0.102 (180deg=0.0757) USER MOD Set 2.2: A 63 TYR OH : rot -103:sc= 1.3 USER MOD Set 3.1: A 11 SER OG : rot -123:sc= 0.568 USER MOD Set 3.2: A 21 ASN : amide:sc= -1.09 K(o=-0.52,f=-4.6!) USER MOD Single : A 1 ILE N :NH3+ 147:sc= -0.411 (180deg=-1.15) USER MOD Single : A 2 GLN : amide:sc= -0.63 X(o=-0.63,f=-0.16) USER MOD Single : A 4 THR OG1 : rot 23:sc= 0.803 USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= -0.0854 (180deg=-0.332) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 46:sc= 0.0859 USER MOD Single : A 13 HIS : no HD1:sc= -0.998 X(o=-1,f=-1.3) USER MOD Single : A 17 ASN : amide:sc= -3.42! C(o=-3.4!,f=-7!) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= -0.067 (180deg=-0.37) USER MOD Single : A 24 ASN : amide:sc= -1.46! C(o=-1.5!,f=-2.6!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 85:sc= 0.78 USER MOD Single : A 31 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.3) USER MOD Single : A 33 SER OG : rot -93:sc= 0.0773 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= 0.789 (180deg=0.501) USER MOD Single : A 51 HIS :FLIP no HE2:sc= -3.67! C(o=-7.2!,f=-3.7!) USER MOD Single : A 52 SER OG : rot 23:sc= 0.361 USER MOD Single : A 55 SER OG : rot -120:sc= 1.1 USER MOD Single : A 57 SER OG : rot 53:sc= 1.13 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 101:sc= 1.25 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 150:sc= -0.374 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 120:sc= -0.062 USER MOD Single : A 83 ASN : amide:sc= -1.61 X(o=-1.6,f=-2.1) USER MOD Single : A 84 HIS : no HD1:sc= -0.628 K(o=-0.63,f=-1.5!) USER MOD Single : A 86 THR OG1 : rot 90:sc= -1.17 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= 1.32 (180deg=-0.0839!) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -21.451 -8.960 -6.573 1.00 0.00 N ATOM 2 CA ILE A 1 -21.642 -7.959 -5.503 1.00 0.00 C ATOM 3 C ILE A 1 -20.305 -7.402 -5.050 1.00 0.00 C ATOM 4 O ILE A 1 -19.273 -8.058 -5.209 1.00 0.00 O ATOM 5 CB ILE A 1 -22.407 -8.556 -4.291 1.00 0.00 C ATOM 6 CG1 ILE A 1 -21.803 -9.896 -3.841 1.00 0.00 C ATOM 7 CG2 ILE A 1 -23.877 -8.729 -4.631 1.00 0.00 C ATOM 8 CD1 ILE A 1 -20.608 -9.766 -2.921 1.00 0.00 C ATOM 0 H1 ILE A 1 -22.183 -9.694 -6.496 1.00 0.00 H new ATOM 0 H2 ILE A 1 -21.523 -8.495 -7.500 1.00 0.00 H new ATOM 0 H3 ILE A 1 -20.512 -9.396 -6.477 1.00 0.00 H new ATOM 0 HA ILE A 1 -22.244 -7.150 -5.916 1.00 0.00 H new ATOM 0 HB ILE A 1 -22.311 -7.855 -3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -22.574 -10.477 -3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -21.506 -10.462 -4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -24.402 -9.148 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -24.309 -7.760 -4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -23.977 -9.403 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -20.246 -10.758 -2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -19.816 -9.215 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -20.901 -9.230 -2.018 1.00 0.00 H new ATOM 19 N GLN A 2 -20.337 -6.178 -4.523 1.00 0.00 N ATOM 20 CA GLN A 2 -19.144 -5.516 -4.001 1.00 0.00 C ATOM 21 C GLN A 2 -18.188 -5.181 -5.155 1.00 0.00 C ATOM 22 O GLN A 2 -18.480 -5.457 -6.322 1.00 0.00 O ATOM 23 CB GLN A 2 -18.438 -6.420 -2.964 1.00 0.00 C ATOM 24 CG GLN A 2 -17.736 -5.667 -1.838 1.00 0.00 C ATOM 25 CD GLN A 2 -18.718 -5.028 -0.878 1.00 0.00 C ATOM 26 OE1 GLN A 2 -19.114 -5.636 0.117 1.00 0.00 O ATOM 27 NE2 GLN A 2 -19.126 -3.804 -1.173 1.00 0.00 N ATOM 0 H GLN A 2 -21.188 -5.620 -4.447 1.00 0.00 H new ATOM 0 HA GLN A 2 -19.440 -4.591 -3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -19.175 -7.094 -2.528 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.705 -7.040 -3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -17.091 -6.354 -1.291 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -17.093 -4.897 -2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -18.773 -3.336 -2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.794 -3.329 -0.566 1.00 0.00 H new ATOM 36 N ARG A 3 -17.065 -4.567 -4.831 1.00 0.00 N ATOM 37 CA ARG A 3 -16.026 -4.295 -5.811 1.00 0.00 C ATOM 38 C ARG A 3 -14.695 -4.786 -5.281 1.00 0.00 C ATOM 39 O ARG A 3 -14.416 -4.656 -4.088 1.00 0.00 O ATOM 40 CB ARG A 3 -15.941 -2.801 -6.129 1.00 0.00 C ATOM 41 CG ARG A 3 -14.603 -2.404 -6.779 1.00 0.00 C ATOM 42 CD ARG A 3 -14.730 -1.471 -8.003 1.00 0.00 C ATOM 43 NE ARG A 3 -15.368 -2.140 -9.136 1.00 0.00 N ATOM 44 CZ ARG A 3 -14.911 -2.089 -10.389 1.00 0.00 C ATOM 45 NH1 ARG A 3 -13.805 -1.407 -10.675 1.00 0.00 N ATOM 46 NH2 ARG A 3 -15.557 -2.732 -11.352 1.00 0.00 N ATOM 0 H ARG A 3 -16.847 -4.244 -3.888 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.274 -4.821 -6.733 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -16.759 -2.529 -6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.077 -2.230 -5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.982 -1.914 -6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.080 -3.310 -7.083 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.310 -0.590 -7.729 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.740 -1.122 -8.298 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.215 -2.679 -8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.301 -0.919 -9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.461 -1.372 -11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.400 -3.263 -11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.211 -2.695 -12.311 1.00 0.00 H new ATOM 60 N THR A 4 -13.889 -5.361 -6.158 1.00 0.00 N ATOM 61 CA THR A 4 -12.582 -5.841 -5.769 1.00 0.00 C ATOM 62 C THR A 4 -11.647 -4.656 -5.548 1.00 0.00 C ATOM 63 O THR A 4 -11.389 -3.892 -6.484 1.00 0.00 O ATOM 64 CB THR A 4 -11.976 -6.784 -6.840 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.661 -6.050 -8.029 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.935 -7.906 -7.202 1.00 0.00 C ATOM 0 H THR A 4 -14.120 -5.505 -7.141 1.00 0.00 H new ATOM 0 HA THR A 4 -12.695 -6.408 -4.845 1.00 0.00 H new ATOM 0 HB THR A 4 -11.070 -7.216 -6.414 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.550 -5.102 -7.808 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.477 -8.547 -7.955 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.159 -8.494 -6.312 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.858 -7.482 -7.599 1.00 0.00 H new ATOM 74 N PRO A 5 -11.149 -4.457 -4.315 1.00 0.00 N ATOM 75 CA PRO A 5 -10.216 -3.376 -4.034 1.00 0.00 C ATOM 76 C PRO A 5 -8.913 -3.607 -4.777 1.00 0.00 C ATOM 77 O PRO A 5 -8.286 -4.660 -4.636 1.00 0.00 O ATOM 78 CB PRO A 5 -9.994 -3.440 -2.515 1.00 0.00 C ATOM 79 CG PRO A 5 -11.057 -4.349 -1.988 1.00 0.00 C ATOM 80 CD PRO A 5 -11.433 -5.265 -3.122 1.00 0.00 C ATOM 0 HA PRO A 5 -10.592 -2.403 -4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.001 -3.822 -2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.068 -2.449 -2.066 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.692 -4.919 -1.133 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.921 -3.779 -1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.846 -6.184 -3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.482 -5.556 -3.073 1.00 0.00 H new ATOM 88 N LYS A 6 -8.505 -2.635 -5.570 1.00 0.00 N ATOM 89 CA LYS A 6 -7.358 -2.816 -6.432 1.00 0.00 C ATOM 90 C LYS A 6 -6.117 -2.224 -5.792 1.00 0.00 C ATOM 91 O LYS A 6 -6.191 -1.228 -5.069 1.00 0.00 O ATOM 92 CB LYS A 6 -7.616 -2.190 -7.809 1.00 0.00 C ATOM 93 CG LYS A 6 -6.484 -2.406 -8.798 1.00 0.00 C ATOM 94 CD LYS A 6 -6.833 -1.897 -10.185 1.00 0.00 C ATOM 95 CE LYS A 6 -5.687 -2.132 -11.155 1.00 0.00 C ATOM 96 NZ LYS A 6 -5.310 -3.571 -11.231 1.00 0.00 N ATOM 0 H LYS A 6 -8.949 -1.719 -5.634 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.193 -3.884 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.533 -2.609 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.781 -1.120 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.589 -1.898 -8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.247 -3.469 -8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.729 -2.401 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.063 -0.832 -10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.972 -1.779 -12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.822 -1.546 -10.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.744 -3.737 -12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.752 -3.829 -10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.171 -4.154 -11.267 1.00 0.00 H new ATOM 110 N ILE A 7 -4.980 -2.841 -6.065 1.00 0.00 N ATOM 111 CA ILE A 7 -3.747 -2.481 -5.396 1.00 0.00 C ATOM 112 C ILE A 7 -2.970 -1.468 -6.203 1.00 0.00 C ATOM 113 O ILE A 7 -2.579 -1.728 -7.343 1.00 0.00 O ATOM 114 CB ILE A 7 -2.830 -3.695 -5.169 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.646 -4.944 -4.847 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.845 -3.407 -4.046 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.610 -4.767 -3.704 1.00 0.00 C ATOM 0 H ILE A 7 -4.888 -3.594 -6.747 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.041 -2.064 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.275 -3.879 -6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.203 -5.241 -5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.964 -5.760 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.202 -4.274 -3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.234 -2.544 -4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.392 -3.197 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.152 -5.698 -3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.060 -4.501 -2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.318 -3.974 -3.944 1.00 0.00 H new ATOM 129 N GLN A 8 -2.765 -0.313 -5.617 1.00 0.00 N ATOM 130 CA GLN A 8 -1.869 0.657 -6.187 1.00 0.00 C ATOM 131 C GLN A 8 -0.783 0.973 -5.169 1.00 0.00 C ATOM 132 O GLN A 8 -1.064 1.484 -4.083 1.00 0.00 O ATOM 133 CB GLN A 8 -2.638 1.914 -6.584 1.00 0.00 C ATOM 134 CG GLN A 8 -3.679 1.671 -7.664 1.00 0.00 C ATOM 135 CD GLN A 8 -4.522 2.897 -7.947 1.00 0.00 C ATOM 136 OE1 GLN A 8 -4.200 3.704 -8.821 1.00 0.00 O ATOM 137 NE2 GLN A 8 -5.607 3.048 -7.203 1.00 0.00 N ATOM 0 H GLN A 8 -3.208 -0.024 -4.745 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.406 0.257 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.130 2.323 -5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.932 2.667 -6.934 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.180 1.359 -8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.329 0.850 -7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.837 2.356 -6.490 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.213 3.857 -7.343 1.00 0.00 H new ATOM 146 N VAL A 9 0.445 0.651 -5.524 1.00 0.00 N ATOM 147 CA VAL A 9 1.582 0.873 -4.648 1.00 0.00 C ATOM 148 C VAL A 9 2.720 1.488 -5.437 1.00 0.00 C ATOM 149 O VAL A 9 3.157 0.953 -6.455 1.00 0.00 O ATOM 150 CB VAL A 9 2.047 -0.431 -3.935 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.069 -1.614 -4.888 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.416 -0.246 -3.288 1.00 0.00 C ATOM 0 H VAL A 9 0.684 0.230 -6.422 1.00 0.00 H new ATOM 0 HA VAL A 9 1.268 1.561 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 9 1.320 -0.644 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.399 -2.505 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.068 -1.779 -5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.756 -1.408 -5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.715 -1.173 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.148 0.012 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.365 0.555 -2.550 1.00 0.00 H new ATOM 162 N TYR A 10 3.176 2.627 -4.963 1.00 0.00 N ATOM 163 CA TYR A 10 4.200 3.382 -5.645 1.00 0.00 C ATOM 164 C TYR A 10 4.936 4.244 -4.641 1.00 0.00 C ATOM 165 O TYR A 10 4.492 4.414 -3.504 1.00 0.00 O ATOM 166 CB TYR A 10 3.587 4.249 -6.757 1.00 0.00 C ATOM 167 CG TYR A 10 2.529 5.224 -6.280 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.185 4.878 -6.305 1.00 0.00 C ATOM 169 CD2 TYR A 10 2.872 6.486 -5.809 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.214 5.758 -5.873 1.00 0.00 C ATOM 171 CE2 TYR A 10 1.907 7.373 -5.376 1.00 0.00 C ATOM 172 CZ TYR A 10 0.580 7.004 -5.409 1.00 0.00 C ATOM 173 OH TYR A 10 -0.384 7.882 -4.972 1.00 0.00 O ATOM 0 H TYR A 10 2.847 3.053 -4.097 1.00 0.00 H new ATOM 0 HA TYR A 10 4.903 2.692 -6.111 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.385 4.808 -7.246 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.148 3.595 -7.510 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.894 3.904 -6.669 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.912 6.778 -5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.827 5.472 -5.898 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.190 8.350 -5.014 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.009 7.413 -4.381 1.00 0.00 H new ATOM 183 N SER A 11 6.064 4.774 -5.054 1.00 0.00 N ATOM 184 CA SER A 11 6.844 5.625 -4.192 1.00 0.00 C ATOM 185 C SER A 11 6.354 7.056 -4.347 1.00 0.00 C ATOM 186 O SER A 11 6.134 7.522 -5.466 1.00 0.00 O ATOM 187 CB SER A 11 8.318 5.500 -4.560 1.00 0.00 C ATOM 188 OG SER A 11 9.139 6.210 -3.659 1.00 0.00 O ATOM 0 H SER A 11 6.460 4.629 -5.983 1.00 0.00 H new ATOM 0 HA SER A 11 6.730 5.328 -3.150 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.605 4.448 -4.564 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.475 5.877 -5.571 1.00 0.00 H new ATOM 0 HG SER A 11 9.684 6.857 -4.153 1.00 0.00 H new ATOM 194 N ARG A 12 6.167 7.744 -3.224 1.00 0.00 N ATOM 195 CA ARG A 12 5.602 9.094 -3.242 1.00 0.00 C ATOM 196 C ARG A 12 6.530 10.021 -4.025 1.00 0.00 C ATOM 197 O ARG A 12 6.092 10.780 -4.884 1.00 0.00 O ATOM 198 CB ARG A 12 5.408 9.586 -1.788 1.00 0.00 C ATOM 199 CG ARG A 12 4.495 10.801 -1.585 1.00 0.00 C ATOM 200 CD ARG A 12 5.131 12.086 -2.082 1.00 0.00 C ATOM 201 NE ARG A 12 6.354 12.412 -1.346 1.00 0.00 N ATOM 202 CZ ARG A 12 6.378 13.025 -0.161 1.00 0.00 C ATOM 203 NH1 ARG A 12 5.244 13.371 0.443 1.00 0.00 N ATOM 204 NH2 ARG A 12 7.544 13.302 0.411 1.00 0.00 N ATOM 0 H ARG A 12 6.396 7.393 -2.294 1.00 0.00 H new ATOM 0 HA ARG A 12 4.630 9.091 -3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.009 8.759 -1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.389 9.826 -1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.553 10.637 -2.109 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.257 10.901 -0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.361 11.990 -3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.419 12.905 -1.983 1.00 0.00 H new ATOM 0 HE ARG A 12 7.246 12.153 -1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.348 13.168 0.000 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.271 13.839 1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.414 13.046 -0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.569 13.770 1.317 1.00 0.00 H new ATOM 218 N HIS A 13 7.814 9.922 -3.730 1.00 0.00 N ATOM 219 CA HIS A 13 8.836 10.652 -4.467 1.00 0.00 C ATOM 220 C HIS A 13 9.809 9.658 -5.115 1.00 0.00 C ATOM 221 O HIS A 13 9.663 8.459 -4.886 1.00 0.00 O ATOM 222 CB HIS A 13 9.565 11.631 -3.538 1.00 0.00 C ATOM 223 CG HIS A 13 8.853 12.941 -3.380 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.131 13.787 -2.334 1.00 0.00 N ATOM 225 CD2 HIS A 13 7.897 13.508 -4.164 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.350 14.843 -2.507 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.588 14.714 -3.598 1.00 0.00 N ATOM 0 H HIS A 13 8.179 9.338 -2.978 1.00 0.00 H new ATOM 0 HA HIS A 13 8.368 11.238 -5.258 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.685 11.170 -2.558 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.566 11.814 -3.928 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.465 13.087 -5.060 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.331 15.700 -1.850 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.905 15.388 -3.943 1.00 0.00 H new ATOM 235 N PRO A 14 10.802 10.099 -5.929 1.00 0.00 N ATOM 236 CA PRO A 14 11.728 9.171 -6.599 1.00 0.00 C ATOM 237 C PRO A 14 12.426 8.224 -5.621 1.00 0.00 C ATOM 238 O PRO A 14 12.716 8.587 -4.478 1.00 0.00 O ATOM 239 CB PRO A 14 12.762 10.083 -7.280 1.00 0.00 C ATOM 240 CG PRO A 14 12.556 11.449 -6.682 1.00 0.00 C ATOM 241 CD PRO A 14 11.105 11.501 -6.275 1.00 0.00 C ATOM 0 HA PRO A 14 11.194 8.525 -7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.776 9.726 -7.102 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.616 10.102 -8.360 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.209 11.603 -5.823 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.789 12.232 -7.404 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.948 12.168 -5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.472 11.862 -7.086 1.00 0.00 H new ATOM 249 N ALA A 15 12.687 7.007 -6.081 1.00 0.00 N ATOM 250 CA ALA A 15 13.320 5.991 -5.252 1.00 0.00 C ATOM 251 C ALA A 15 14.835 6.122 -5.297 1.00 0.00 C ATOM 252 O ALA A 15 15.451 5.964 -6.353 1.00 0.00 O ATOM 253 CB ALA A 15 12.908 4.601 -5.707 1.00 0.00 C ATOM 0 H ALA A 15 12.469 6.699 -7.029 1.00 0.00 H new ATOM 0 HA ALA A 15 12.988 6.141 -4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.390 3.854 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.826 4.498 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.212 4.452 -6.743 1.00 0.00 H new ATOM 259 N GLU A 16 15.436 6.420 -4.160 1.00 0.00 N ATOM 260 CA GLU A 16 16.878 6.504 -4.071 1.00 0.00 C ATOM 261 C GLU A 16 17.404 5.532 -3.016 1.00 0.00 C ATOM 262 O GLU A 16 17.003 5.578 -1.856 1.00 0.00 O ATOM 263 CB GLU A 16 17.300 7.935 -3.746 1.00 0.00 C ATOM 264 CG GLU A 16 18.795 8.171 -3.900 1.00 0.00 C ATOM 265 CD GLU A 16 19.274 7.931 -5.318 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.118 8.834 -6.166 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.800 6.831 -5.596 1.00 0.00 O ATOM 0 H GLU A 16 14.945 6.608 -3.286 1.00 0.00 H new ATOM 0 HA GLU A 16 17.308 6.226 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.762 8.622 -4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.006 8.170 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.031 9.194 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.336 7.513 -3.220 1.00 0.00 H new ATOM 274 N ASN A 17 18.277 4.640 -3.444 1.00 0.00 N ATOM 275 CA ASN A 17 18.877 3.647 -2.557 1.00 0.00 C ATOM 276 C ASN A 17 19.884 4.304 -1.624 1.00 0.00 C ATOM 277 O ASN A 17 20.751 5.069 -2.059 1.00 0.00 O ATOM 278 CB ASN A 17 19.529 2.524 -3.382 1.00 0.00 C ATOM 279 CG ASN A 17 20.627 1.767 -2.642 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.549 1.537 -1.438 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.666 1.375 -3.366 1.00 0.00 N ATOM 0 H ASN A 17 18.593 4.579 -4.412 1.00 0.00 H new ATOM 0 HA ASN A 17 18.094 3.204 -1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.758 1.817 -3.688 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.948 2.953 -4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.432 0.866 -2.925 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.699 1.582 -4.364 1.00 0.00 H new ATOM 288 N GLY A 18 19.752 4.006 -0.339 1.00 0.00 N ATOM 289 CA GLY A 18 20.602 4.607 0.663 1.00 0.00 C ATOM 290 C GLY A 18 20.074 5.959 1.057 1.00 0.00 C ATOM 291 O GLY A 18 20.778 6.772 1.659 1.00 0.00 O ATOM 0 H GLY A 18 19.062 3.351 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.655 3.961 1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.617 4.704 0.277 1.00 0.00 H new ATOM 295 N LYS A 19 18.823 6.192 0.707 1.00 0.00 N ATOM 296 CA LYS A 19 18.188 7.472 0.912 1.00 0.00 C ATOM 297 C LYS A 19 16.790 7.256 1.459 1.00 0.00 C ATOM 298 O LYS A 19 16.126 6.279 1.116 1.00 0.00 O ATOM 299 CB LYS A 19 18.125 8.187 -0.429 1.00 0.00 C ATOM 300 CG LYS A 19 17.898 9.684 -0.346 1.00 0.00 C ATOM 301 CD LYS A 19 19.102 10.414 0.232 1.00 0.00 C ATOM 302 CE LYS A 19 18.932 11.925 0.149 1.00 0.00 C ATOM 303 NZ LYS A 19 18.846 12.394 -1.259 1.00 0.00 N ATOM 0 H LYS A 19 18.220 5.494 0.271 1.00 0.00 H new ATOM 0 HA LYS A 19 18.751 8.074 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.056 8.005 -0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.324 7.745 -1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.682 10.073 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.022 9.884 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.243 10.119 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.002 10.118 -0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.030 12.219 0.686 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.772 12.413 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.020 13.419 -1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.560 11.902 -1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.898 12.190 -1.635 1.00 0.00 H new ATOM 317 N SER A 20 16.354 8.157 2.311 1.00 0.00 N ATOM 318 CA SER A 20 15.053 8.043 2.931 1.00 0.00 C ATOM 319 C SER A 20 13.961 8.583 2.010 1.00 0.00 C ATOM 320 O SER A 20 14.178 9.538 1.255 1.00 0.00 O ATOM 321 CB SER A 20 15.059 8.788 4.258 1.00 0.00 C ATOM 322 OG SER A 20 15.987 8.207 5.163 1.00 0.00 O ATOM 0 H SER A 20 16.885 8.981 2.591 1.00 0.00 H new ATOM 0 HA SER A 20 14.837 6.990 3.114 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.315 9.834 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.060 8.770 4.694 1.00 0.00 H new ATOM 0 HG SER A 20 15.955 7.231 5.083 1.00 0.00 H new ATOM 328 N ASN A 21 12.796 7.965 2.074 1.00 0.00 N ATOM 329 CA ASN A 21 11.678 8.349 1.222 1.00 0.00 C ATOM 330 C ASN A 21 10.366 7.906 1.860 1.00 0.00 C ATOM 331 O ASN A 21 10.370 7.377 2.973 1.00 0.00 O ATOM 332 CB ASN A 21 11.837 7.707 -0.161 1.00 0.00 C ATOM 333 CG ASN A 21 11.212 8.542 -1.259 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.105 9.761 -1.147 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.799 7.892 -2.323 1.00 0.00 N ATOM 0 H ASN A 21 12.596 7.192 2.709 1.00 0.00 H new ATOM 0 HA ASN A 21 11.666 9.433 1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.897 7.566 -0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.379 6.718 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.370 8.400 -3.097 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.907 6.879 -2.376 1.00 0.00 H new ATOM 342 N PHE A 22 9.250 8.108 1.162 1.00 0.00 N ATOM 343 CA PHE A 22 7.940 7.736 1.684 1.00 0.00 C ATOM 344 C PHE A 22 7.266 6.740 0.742 1.00 0.00 C ATOM 345 O PHE A 22 7.241 6.951 -0.475 1.00 0.00 O ATOM 346 CB PHE A 22 7.038 8.969 1.827 1.00 0.00 C ATOM 347 CG PHE A 22 7.422 9.915 2.926 1.00 0.00 C ATOM 348 CD1 PHE A 22 8.587 10.656 2.852 1.00 0.00 C ATOM 349 CD2 PHE A 22 6.599 10.072 4.025 1.00 0.00 C ATOM 350 CE1 PHE A 22 8.926 11.536 3.860 1.00 0.00 C ATOM 351 CE2 PHE A 22 6.931 10.950 5.036 1.00 0.00 C ATOM 352 CZ PHE A 22 8.096 11.681 4.953 1.00 0.00 C ATOM 0 H PHE A 22 9.229 8.528 0.233 1.00 0.00 H new ATOM 0 HA PHE A 22 8.086 7.283 2.665 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.041 9.513 0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.015 8.634 1.998 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.238 10.545 1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.685 9.501 4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.839 12.110 3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.280 11.064 5.890 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.360 12.368 5.744 1.00 0.00 H new ATOM 362 N LEU A 23 6.725 5.666 1.296 1.00 0.00 N ATOM 363 CA LEU A 23 5.996 4.679 0.505 1.00 0.00 C ATOM 364 C LEU A 23 4.524 5.034 0.534 1.00 0.00 C ATOM 365 O LEU A 23 4.062 5.691 1.465 1.00 0.00 O ATOM 366 CB LEU A 23 6.189 3.275 1.081 1.00 0.00 C ATOM 367 CG LEU A 23 6.492 2.133 0.085 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.564 0.811 0.832 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.458 2.036 -1.032 1.00 0.00 C ATOM 0 H LEU A 23 6.776 5.453 2.292 1.00 0.00 H new ATOM 0 HA LEU A 23 6.374 4.687 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.004 3.317 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.287 3.010 1.633 1.00 0.00 H new ATOM 0 HG LEU A 23 7.450 2.358 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.778 0.007 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.355 0.858 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.611 0.619 1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.721 1.217 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.474 1.851 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.439 2.971 -1.592 1.00 0.00 H new ATOM 381 N ASN A 24 3.796 4.608 -0.468 1.00 0.00 N ATOM 382 CA ASN A 24 2.375 4.880 -0.533 1.00 0.00 C ATOM 383 C ASN A 24 1.623 3.676 -1.082 1.00 0.00 C ATOM 384 O ASN A 24 1.966 3.144 -2.139 1.00 0.00 O ATOM 385 CB ASN A 24 2.117 6.116 -1.403 1.00 0.00 C ATOM 386 CG ASN A 24 0.646 6.377 -1.647 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.051 5.828 -2.569 1.00 0.00 O ATOM 388 ND2 ASN A 24 0.060 7.244 -0.838 1.00 0.00 N ATOM 0 H ASN A 24 4.162 4.070 -1.253 1.00 0.00 H new ATOM 0 HA ASN A 24 2.011 5.077 0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.560 6.989 -0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.621 5.989 -2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.924 7.479 -0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.592 7.678 -0.083 1.00 0.00 H new ATOM 395 N CYS A 25 0.614 3.244 -0.346 1.00 0.00 N ATOM 396 CA CYS A 25 -0.232 2.144 -0.769 1.00 0.00 C ATOM 397 C CYS A 25 -1.680 2.616 -0.737 1.00 0.00 C ATOM 398 O CYS A 25 -2.197 2.997 0.317 1.00 0.00 O ATOM 399 CB CYS A 25 -0.019 0.946 0.155 1.00 0.00 C ATOM 400 SG CYS A 25 -0.371 -0.669 -0.610 1.00 0.00 S ATOM 0 H CYS A 25 0.360 3.644 0.557 1.00 0.00 H new ATOM 0 HA CYS A 25 0.020 1.830 -1.782 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.014 0.951 0.504 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.653 1.064 1.034 1.00 0.00 H new ATOM 405 N TYR A 26 -2.326 2.597 -1.892 1.00 0.00 N ATOM 406 CA TYR A 26 -3.654 3.172 -2.040 1.00 0.00 C ATOM 407 C TYR A 26 -4.653 2.082 -2.379 1.00 0.00 C ATOM 408 O TYR A 26 -4.721 1.623 -3.523 1.00 0.00 O ATOM 409 CB TYR A 26 -3.664 4.226 -3.157 1.00 0.00 C ATOM 410 CG TYR A 26 -3.858 5.670 -2.706 1.00 0.00 C ATOM 411 CD1 TYR A 26 -2.790 6.563 -2.693 1.00 0.00 C ATOM 412 CD2 TYR A 26 -5.113 6.156 -2.337 1.00 0.00 C ATOM 413 CE1 TYR A 26 -2.961 7.883 -2.327 1.00 0.00 C ATOM 414 CE2 TYR A 26 -5.285 7.480 -1.965 1.00 0.00 C ATOM 415 CZ TYR A 26 -4.205 8.335 -1.964 1.00 0.00 C ATOM 416 OH TYR A 26 -4.370 9.652 -1.602 1.00 0.00 O ATOM 0 H TYR A 26 -1.949 2.187 -2.746 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.929 3.646 -1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.723 4.159 -3.702 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.458 3.975 -3.860 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.807 6.216 -2.975 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.963 5.490 -2.341 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.118 8.558 -2.326 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.262 7.840 -1.677 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.309 9.813 -1.374 1.00 0.00 H new ATOM 426 N VAL A 27 -5.418 1.664 -1.390 1.00 0.00 N ATOM 427 CA VAL A 27 -6.460 0.685 -1.616 1.00 0.00 C ATOM 428 C VAL A 27 -7.816 1.368 -1.492 1.00 0.00 C ATOM 429 O VAL A 27 -8.242 1.726 -0.395 1.00 0.00 O ATOM 430 CB VAL A 27 -6.382 -0.497 -0.625 1.00 0.00 C ATOM 431 CG1 VAL A 27 -7.096 -1.703 -1.202 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.942 -0.850 -0.285 1.00 0.00 C ATOM 0 H VAL A 27 -5.337 1.986 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.324 0.276 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.874 -0.193 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.037 -2.533 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.142 -1.455 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.624 -1.990 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.928 -1.686 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.411 -1.129 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.454 0.012 0.170 1.00 0.00 H new ATOM 442 N SER A 28 -8.471 1.588 -2.623 1.00 0.00 N ATOM 443 CA SER A 28 -9.738 2.305 -2.636 1.00 0.00 C ATOM 444 C SER A 28 -10.655 1.772 -3.737 1.00 0.00 C ATOM 445 O SER A 28 -10.290 0.848 -4.470 1.00 0.00 O ATOM 446 CB SER A 28 -9.479 3.805 -2.824 1.00 0.00 C ATOM 447 OG SER A 28 -10.681 4.558 -2.751 1.00 0.00 O ATOM 0 H SER A 28 -8.148 1.282 -3.541 1.00 0.00 H new ATOM 0 HA SER A 28 -10.241 2.148 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.784 4.153 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.002 3.974 -3.789 1.00 0.00 H new ATOM 0 HG SER A 28 -10.890 4.751 -1.813 1.00 0.00 H new ATOM 453 N GLY A 29 -11.847 2.358 -3.840 1.00 0.00 N ATOM 454 CA GLY A 29 -12.827 1.915 -4.810 1.00 0.00 C ATOM 455 C GLY A 29 -13.651 0.762 -4.283 1.00 0.00 C ATOM 456 O GLY A 29 -14.256 0.020 -5.050 1.00 0.00 O ATOM 0 H GLY A 29 -12.150 3.140 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.485 2.745 -5.068 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.321 1.612 -5.727 1.00 0.00 H new ATOM 460 N PHE A 30 -13.677 0.618 -2.968 1.00 0.00 N ATOM 461 CA PHE A 30 -14.332 -0.516 -2.336 1.00 0.00 C ATOM 462 C PHE A 30 -15.324 -0.052 -1.271 1.00 0.00 C ATOM 463 O PHE A 30 -15.400 1.137 -0.961 1.00 0.00 O ATOM 464 CB PHE A 30 -13.281 -1.418 -1.676 1.00 0.00 C ATOM 465 CG PHE A 30 -12.614 -0.763 -0.496 1.00 0.00 C ATOM 466 CD1 PHE A 30 -13.073 -0.996 0.789 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.547 0.099 -0.674 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.484 -0.379 1.872 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.953 0.715 0.407 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.422 0.478 1.680 1.00 0.00 C ATOM 0 H PHE A 30 -13.250 1.275 -2.315 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.872 -1.067 -3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.755 -2.345 -1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.524 -1.687 -2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.903 -1.669 0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.175 0.291 -1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.854 -0.567 2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.119 1.384 0.255 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.958 0.963 2.526 1.00 0.00 H new ATOM 480 N HIS A 31 -16.034 -1.018 -0.691 1.00 0.00 N ATOM 481 CA HIS A 31 -16.939 -0.781 0.441 1.00 0.00 C ATOM 482 C HIS A 31 -17.084 -2.097 1.208 1.00 0.00 C ATOM 483 O HIS A 31 -16.834 -3.153 0.630 1.00 0.00 O ATOM 484 CB HIS A 31 -18.341 -0.270 0.008 1.00 0.00 C ATOM 485 CG HIS A 31 -18.348 1.097 -0.613 1.00 0.00 C ATOM 486 ND1 HIS A 31 -18.531 1.272 -1.965 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.200 2.312 -0.027 1.00 0.00 C ATOM 488 CE1 HIS A 31 -18.488 2.578 -2.171 1.00 0.00 C ATOM 489 NE2 HIS A 31 -18.291 3.248 -1.028 1.00 0.00 N ATOM 0 H HIS A 31 -16.000 -1.992 -0.991 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.507 0.004 1.062 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.767 -0.979 -0.702 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.994 -0.261 0.880 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.041 2.506 1.024 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -18.598 3.045 -3.139 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -18.222 4.260 -0.921 1.00 0.00 H new ATOM 497 N PRO A 32 -17.449 -2.087 2.511 1.00 0.00 N ATOM 498 CA PRO A 32 -17.668 -0.873 3.321 1.00 0.00 C ATOM 499 C PRO A 32 -16.378 -0.079 3.522 1.00 0.00 C ATOM 500 O PRO A 32 -15.324 -0.452 3.010 1.00 0.00 O ATOM 501 CB PRO A 32 -18.149 -1.421 4.674 1.00 0.00 C ATOM 502 CG PRO A 32 -18.572 -2.820 4.402 1.00 0.00 C ATOM 503 CD PRO A 32 -17.678 -3.302 3.304 1.00 0.00 C ATOM 0 HA PRO A 32 -18.371 -0.191 2.842 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.352 -1.388 5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -18.976 -0.829 5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.470 -3.441 5.292 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.619 -2.862 4.102 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.746 -3.713 3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -18.150 -4.087 2.713 1.00 0.00 H new ATOM 511 N SER A 33 -16.475 1.011 4.272 1.00 0.00 N ATOM 512 CA SER A 33 -15.325 1.887 4.536 1.00 0.00 C ATOM 513 C SER A 33 -14.303 1.240 5.489 1.00 0.00 C ATOM 514 O SER A 33 -13.923 1.834 6.502 1.00 0.00 O ATOM 515 CB SER A 33 -15.804 3.221 5.119 1.00 0.00 C ATOM 516 OG SER A 33 -16.838 3.788 4.327 1.00 0.00 O ATOM 0 H SER A 33 -17.342 1.317 4.714 1.00 0.00 H new ATOM 0 HA SER A 33 -14.823 2.057 3.583 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.165 3.067 6.136 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.966 3.916 5.179 1.00 0.00 H new ATOM 0 HG SER A 33 -16.447 4.398 3.667 1.00 0.00 H new ATOM 522 N ASP A 34 -13.863 0.027 5.158 1.00 0.00 N ATOM 523 CA ASP A 34 -12.852 -0.669 5.950 1.00 0.00 C ATOM 524 C ASP A 34 -12.204 -1.816 5.180 1.00 0.00 C ATOM 525 O ASP A 34 -12.880 -2.671 4.605 1.00 0.00 O ATOM 526 CB ASP A 34 -13.439 -1.186 7.269 1.00 0.00 C ATOM 527 CG ASP A 34 -12.664 -2.355 7.854 1.00 0.00 C ATOM 528 OD1 ASP A 34 -13.199 -3.486 7.846 1.00 0.00 O ATOM 529 OD2 ASP A 34 -11.526 -2.151 8.327 1.00 0.00 O ATOM 0 H ASP A 34 -14.192 -0.494 4.345 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.075 0.062 6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.458 -0.372 7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.473 -1.490 7.104 1.00 0.00 H new ATOM 534 N ILE A 35 -10.885 -1.782 5.159 1.00 0.00 N ATOM 535 CA ILE A 35 -10.065 -2.859 4.608 1.00 0.00 C ATOM 536 C ILE A 35 -8.762 -2.930 5.393 1.00 0.00 C ATOM 537 O ILE A 35 -8.337 -1.931 5.975 1.00 0.00 O ATOM 538 CB ILE A 35 -9.722 -2.649 3.109 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.280 -3.975 2.467 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.618 -1.610 2.952 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.449 -3.809 1.205 1.00 0.00 C ATOM 0 H ILE A 35 -10.342 -1.001 5.526 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.641 -3.781 4.690 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.619 -2.291 2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.704 -4.544 3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.166 -4.564 2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.392 -1.477 1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.949 -0.661 3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.723 -1.948 3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.179 -4.791 0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.028 -3.269 0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.543 -3.249 1.437 1.00 0.00 H new ATOM 553 N GLU A 36 -8.137 -4.093 5.432 1.00 0.00 N ATOM 554 CA GLU A 36 -6.831 -4.228 6.048 1.00 0.00 C ATOM 555 C GLU A 36 -5.786 -4.443 4.967 1.00 0.00 C ATOM 556 O GLU A 36 -5.872 -5.391 4.177 1.00 0.00 O ATOM 557 CB GLU A 36 -6.804 -5.426 6.993 1.00 0.00 C ATOM 558 CG GLU A 36 -5.567 -5.492 7.891 1.00 0.00 C ATOM 559 CD GLU A 36 -5.619 -4.511 9.037 1.00 0.00 C ATOM 560 OE1 GLU A 36 -5.939 -4.935 10.165 1.00 0.00 O ATOM 561 OE2 GLU A 36 -5.325 -3.320 8.825 1.00 0.00 O ATOM 0 H GLU A 36 -8.514 -4.958 5.044 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.619 -3.320 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.694 -5.398 7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.859 -6.341 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.466 -6.502 8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.678 -5.295 7.291 1.00 0.00 H new ATOM 568 N VAL A 37 -4.809 -3.566 4.934 1.00 0.00 N ATOM 569 CA VAL A 37 -3.707 -3.677 3.993 1.00 0.00 C ATOM 570 C VAL A 37 -2.385 -3.486 4.732 1.00 0.00 C ATOM 571 O VAL A 37 -2.288 -2.685 5.660 1.00 0.00 O ATOM 572 CB VAL A 37 -3.845 -2.694 2.788 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.877 -1.631 3.083 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.513 -2.049 2.381 1.00 0.00 C ATOM 0 H VAL A 37 -4.751 -2.758 5.553 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.730 -4.677 3.560 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.175 -3.292 1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.958 -0.956 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.843 -2.102 3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.576 -1.067 3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.677 -1.377 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.110 -1.485 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.805 -2.826 2.093 1.00 0.00 H new ATOM 584 N ASP A 38 -1.398 -4.255 4.329 1.00 0.00 N ATOM 585 CA ASP A 38 -0.104 -4.256 4.995 1.00 0.00 C ATOM 586 C ASP A 38 1.012 -4.118 3.974 1.00 0.00 C ATOM 587 O ASP A 38 0.825 -4.411 2.795 1.00 0.00 O ATOM 588 CB ASP A 38 0.058 -5.535 5.836 1.00 0.00 C ATOM 589 CG ASP A 38 1.153 -6.457 5.339 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.268 -6.405 5.885 1.00 0.00 O ATOM 591 OD2 ASP A 38 0.893 -7.248 4.415 1.00 0.00 O ATOM 0 H ASP A 38 -1.463 -4.895 3.537 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.047 -3.402 5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.271 -5.256 6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.887 -6.078 5.841 1.00 0.00 H new ATOM 596 N LEU A 39 2.152 -3.628 4.422 1.00 0.00 N ATOM 597 CA LEU A 39 3.297 -3.469 3.549 1.00 0.00 C ATOM 598 C LEU A 39 4.354 -4.507 3.895 1.00 0.00 C ATOM 599 O LEU A 39 4.649 -4.745 5.065 1.00 0.00 O ATOM 600 CB LEU A 39 3.891 -2.065 3.660 1.00 0.00 C ATOM 601 CG LEU A 39 2.887 -0.909 3.676 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.616 0.420 3.812 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.015 -0.908 2.431 1.00 0.00 C ATOM 0 H LEU A 39 2.309 -3.333 5.386 1.00 0.00 H new ATOM 0 HA LEU A 39 2.963 -3.613 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.486 -2.015 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.575 -1.914 2.824 1.00 0.00 H new ATOM 0 HG LEU A 39 2.234 -1.047 4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.891 1.234 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.185 0.429 4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.295 0.550 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.315 -0.074 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.644 -0.805 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.460 -1.844 2.375 1.00 0.00 H new ATOM 615 N LEU A 40 4.922 -5.108 2.870 1.00 0.00 N ATOM 616 CA LEU A 40 5.856 -6.205 3.035 1.00 0.00 C ATOM 617 C LEU A 40 7.266 -5.825 2.625 1.00 0.00 C ATOM 618 O LEU A 40 7.528 -4.728 2.137 1.00 0.00 O ATOM 619 CB LEU A 40 5.437 -7.422 2.216 1.00 0.00 C ATOM 620 CG LEU A 40 3.977 -7.839 2.340 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.646 -8.892 1.296 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.697 -8.365 3.737 1.00 0.00 C ATOM 0 H LEU A 40 4.750 -4.850 1.898 1.00 0.00 H new ATOM 0 HA LEU A 40 5.843 -6.447 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.649 -7.219 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.062 -8.266 2.510 1.00 0.00 H new ATOM 0 HG LEU A 40 3.344 -6.968 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.600 -9.184 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.818 -8.484 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.282 -9.765 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.650 -8.659 3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.332 -9.229 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.908 -7.585 4.469 1.00 0.00 H new ATOM 634 N LYS A 41 8.140 -6.793 2.813 1.00 0.00 N ATOM 635 CA LYS A 41 9.547 -6.679 2.470 1.00 0.00 C ATOM 636 C LYS A 41 10.082 -8.034 2.072 1.00 0.00 C ATOM 637 O LYS A 41 10.381 -8.866 2.928 1.00 0.00 O ATOM 638 CB LYS A 41 10.356 -6.087 3.612 1.00 0.00 C ATOM 639 CG LYS A 41 10.337 -4.569 3.597 1.00 0.00 C ATOM 640 CD LYS A 41 11.187 -3.959 4.706 1.00 0.00 C ATOM 641 CE LYS A 41 10.804 -4.470 6.084 1.00 0.00 C ATOM 642 NZ LYS A 41 11.609 -3.822 7.152 1.00 0.00 N ATOM 0 H LYS A 41 7.890 -7.697 3.215 1.00 0.00 H new ATOM 0 HA LYS A 41 9.642 -5.996 1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.958 -6.445 4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.386 -6.437 3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.698 -4.215 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.309 -4.222 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.237 -4.183 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.083 -2.874 4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.745 -4.282 6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.947 -5.550 6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.320 -4.195 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.618 -4.023 6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.453 -2.794 7.129 1.00 0.00 H new ATOM 656 N ASN A 42 10.158 -8.253 0.763 1.00 0.00 N ATOM 657 CA ASN A 42 10.547 -9.540 0.179 1.00 0.00 C ATOM 658 C ASN A 42 9.541 -10.653 0.511 1.00 0.00 C ATOM 659 O ASN A 42 9.543 -11.706 -0.125 1.00 0.00 O ATOM 660 CB ASN A 42 11.970 -9.930 0.608 1.00 0.00 C ATOM 661 CG ASN A 42 13.032 -9.065 -0.053 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.539 -9.396 -1.126 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.385 -7.958 0.587 1.00 0.00 N ATOM 0 H ASN A 42 9.950 -7.537 0.067 1.00 0.00 H new ATOM 0 HA ASN A 42 10.540 -9.419 -0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.057 -9.843 1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.149 -10.976 0.357 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.100 -7.347 0.192 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.942 -7.718 1.474 1.00 0.00 H new ATOM 670 N GLY A 43 8.683 -10.413 1.499 1.00 0.00 N ATOM 671 CA GLY A 43 7.651 -11.368 1.845 1.00 0.00 C ATOM 672 C GLY A 43 7.181 -11.231 3.277 1.00 0.00 C ATOM 673 O GLY A 43 6.246 -11.915 3.696 1.00 0.00 O ATOM 0 H GLY A 43 8.687 -9.567 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.802 -11.237 1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.029 -12.378 1.687 1.00 0.00 H new ATOM 677 N GLU A 44 7.802 -10.327 4.022 1.00 0.00 N ATOM 678 CA GLU A 44 7.558 -10.203 5.447 1.00 0.00 C ATOM 679 C GLU A 44 6.849 -8.900 5.765 1.00 0.00 C ATOM 680 O GLU A 44 7.073 -7.898 5.097 1.00 0.00 O ATOM 681 CB GLU A 44 8.904 -10.230 6.138 1.00 0.00 C ATOM 682 CG GLU A 44 9.772 -11.380 5.692 1.00 0.00 C ATOM 683 CD GLU A 44 9.343 -12.715 6.268 1.00 0.00 C ATOM 684 OE1 GLU A 44 10.141 -13.327 7.007 1.00 0.00 O ATOM 685 OE2 GLU A 44 8.215 -13.165 5.985 1.00 0.00 O ATOM 0 H GLU A 44 8.485 -9.664 3.656 1.00 0.00 H new ATOM 0 HA GLU A 44 6.921 -11.019 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.425 -9.292 5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.752 -10.293 7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.753 -11.439 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.804 -11.181 5.983 1.00 0.00 H new ATOM 692 N ARG A 45 6.001 -8.912 6.784 1.00 0.00 N ATOM 693 CA ARG A 45 5.271 -7.722 7.169 1.00 0.00 C ATOM 694 C ARG A 45 6.193 -6.668 7.771 1.00 0.00 C ATOM 695 O ARG A 45 7.112 -6.982 8.535 1.00 0.00 O ATOM 696 CB ARG A 45 4.171 -8.061 8.178 1.00 0.00 C ATOM 697 CG ARG A 45 3.351 -6.832 8.575 1.00 0.00 C ATOM 698 CD ARG A 45 2.159 -7.139 9.474 1.00 0.00 C ATOM 699 NE ARG A 45 1.613 -5.903 10.036 1.00 0.00 N ATOM 700 CZ ARG A 45 0.483 -5.821 10.742 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.240 -6.905 10.990 1.00 0.00 N ATOM 702 NH2 ARG A 45 0.076 -4.646 11.202 1.00 0.00 N ATOM 0 H ARG A 45 5.805 -9.734 7.356 1.00 0.00 H new ATOM 0 HA ARG A 45 4.822 -7.317 6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.509 -8.815 7.752 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.620 -8.499 9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.003 -6.123 9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.992 -6.341 7.670 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.389 -7.658 8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.465 -7.808 10.278 1.00 0.00 H new ATOM 0 HE ARG A 45 2.134 -5.041 9.877 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.066 -7.813 10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.102 -6.831 11.531 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.626 -3.807 11.016 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.787 -4.581 11.742 1.00 0.00 H new ATOM 716 N ILE A 46 5.933 -5.421 7.418 1.00 0.00 N ATOM 717 CA ILE A 46 6.608 -4.289 8.008 1.00 0.00 C ATOM 718 C ILE A 46 5.795 -3.807 9.188 1.00 0.00 C ATOM 719 O ILE A 46 4.573 -3.690 9.098 1.00 0.00 O ATOM 720 CB ILE A 46 6.753 -3.137 7.003 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.496 -3.617 5.769 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.481 -1.959 7.642 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.496 -2.618 4.635 1.00 0.00 C ATOM 0 H ILE A 46 5.243 -5.169 6.710 1.00 0.00 H new ATOM 0 HA ILE A 46 7.605 -4.601 8.317 1.00 0.00 H new ATOM 0 HB ILE A 46 5.759 -2.802 6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.527 -3.845 6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.045 -4.547 5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.575 -1.152 6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.916 -1.607 8.505 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.473 -2.275 7.963 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.045 -3.029 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.469 -2.408 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.974 -1.695 4.963 1.00 0.00 H new ATOM 735 N GLU A 47 6.456 -3.527 10.286 1.00 0.00 N ATOM 736 CA GLU A 47 5.747 -3.178 11.512 1.00 0.00 C ATOM 737 C GLU A 47 5.544 -1.674 11.655 1.00 0.00 C ATOM 738 O GLU A 47 4.517 -1.237 12.167 1.00 0.00 O ATOM 739 CB GLU A 47 6.448 -3.764 12.751 1.00 0.00 C ATOM 740 CG GLU A 47 7.936 -3.956 12.627 1.00 0.00 C ATOM 741 CD GLU A 47 8.743 -2.699 12.791 1.00 0.00 C ATOM 742 OE1 GLU A 47 9.461 -2.332 11.836 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.683 -2.084 13.873 1.00 0.00 O ATOM 0 H GLU A 47 7.473 -3.531 10.365 1.00 0.00 H new ATOM 0 HA GLU A 47 4.757 -3.627 11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.254 -3.109 13.600 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.993 -4.727 12.982 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.260 -4.680 13.374 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.154 -4.387 11.650 1.00 0.00 H new ATOM 750 N LYS A 48 6.517 -0.880 11.224 1.00 0.00 N ATOM 751 CA LYS A 48 6.410 0.567 11.330 1.00 0.00 C ATOM 752 C LYS A 48 5.467 1.183 10.300 1.00 0.00 C ATOM 753 O LYS A 48 5.404 2.405 10.163 1.00 0.00 O ATOM 754 CB LYS A 48 7.790 1.177 11.233 1.00 0.00 C ATOM 755 CG LYS A 48 8.717 0.506 12.228 1.00 0.00 C ATOM 756 CD LYS A 48 9.981 1.305 12.550 1.00 0.00 C ATOM 757 CE LYS A 48 10.996 0.471 13.330 1.00 0.00 C ATOM 758 NZ LYS A 48 11.454 -0.701 12.546 1.00 0.00 N ATOM 0 H LYS A 48 7.383 -1.213 10.801 1.00 0.00 H new ATOM 0 HA LYS A 48 5.969 0.791 12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.180 1.059 10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.740 2.247 11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.169 0.327 13.153 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.008 -0.469 11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.435 1.656 11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.715 2.189 13.130 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.853 1.091 13.593 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.549 0.133 14.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.260 -1.148 13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.677 -1.387 12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.747 -0.391 11.597 1.00 0.00 H new ATOM 772 N VAL A 49 4.755 0.342 9.563 1.00 0.00 N ATOM 773 CA VAL A 49 3.699 0.815 8.687 1.00 0.00 C ATOM 774 C VAL A 49 2.605 1.478 9.495 1.00 0.00 C ATOM 775 O VAL A 49 2.149 0.937 10.505 1.00 0.00 O ATOM 776 CB VAL A 49 3.074 -0.324 7.867 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.925 0.202 7.010 1.00 0.00 C ATOM 778 CG2 VAL A 49 4.128 -0.987 7.007 1.00 0.00 C ATOM 0 H VAL A 49 4.891 -0.669 9.556 1.00 0.00 H new ATOM 0 HA VAL A 49 4.156 1.529 8.002 1.00 0.00 H new ATOM 0 HB VAL A 49 2.670 -1.069 8.552 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.494 -0.618 6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.160 0.636 7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.300 0.965 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.673 -1.793 6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.558 -0.252 6.327 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.913 -1.395 7.644 1.00 0.00 H new ATOM 788 N GLU A 50 2.177 2.637 9.044 1.00 0.00 N ATOM 789 CA GLU A 50 1.121 3.351 9.711 1.00 0.00 C ATOM 790 C GLU A 50 0.031 3.708 8.723 1.00 0.00 C ATOM 791 O GLU A 50 0.289 3.976 7.548 1.00 0.00 O ATOM 792 CB GLU A 50 1.639 4.624 10.373 1.00 0.00 C ATOM 793 CG GLU A 50 2.838 4.412 11.270 1.00 0.00 C ATOM 794 CD GLU A 50 3.393 5.717 11.794 1.00 0.00 C ATOM 795 OE1 GLU A 50 2.723 6.355 12.636 1.00 0.00 O ATOM 796 OE2 GLU A 50 4.498 6.115 11.367 1.00 0.00 O ATOM 0 H GLU A 50 2.548 3.102 8.216 1.00 0.00 H new ATOM 0 HA GLU A 50 0.719 2.699 10.486 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.902 5.343 9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.835 5.069 10.959 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.555 3.776 12.109 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.615 3.884 10.717 1.00 0.00 H new ATOM 803 N HIS A 51 -1.177 3.697 9.214 1.00 0.00 N ATOM 804 CA HIS A 51 -2.319 4.195 8.448 1.00 0.00 C ATOM 805 C HIS A 51 -2.755 5.512 9.047 1.00 0.00 C ATOM 806 O HIS A 51 -3.014 5.612 10.246 1.00 0.00 O ATOM 807 CB HIS A 51 -3.496 3.197 8.379 1.00 0.00 C ATOM 808 CG HIS A 51 -4.788 3.787 7.893 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.103 4.310 6.692 1.00 0.00 N flip ATOM 810 CD2 HIS A 51 -5.885 3.866 8.716 1.00 0.00 C flip ATOM 811 CE1 HIS A 51 -6.407 4.730 6.765 1.00 0.00 C flip ATOM 812 NE2 HIS A 51 -6.834 4.438 8.002 1.00 0.00 N flip ATOM 0 H HIS A 51 -1.411 3.350 10.144 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.001 4.331 7.414 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.218 2.373 7.722 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.655 2.774 9.371 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -4.488 4.380 5.881 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.956 3.528 9.739 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.978 5.203 5.980 1.00 0.00 H new ATOM 820 N SER A 52 -2.790 6.523 8.206 1.00 0.00 N ATOM 821 CA SER A 52 -3.115 7.875 8.656 1.00 0.00 C ATOM 822 C SER A 52 -4.614 7.996 8.930 1.00 0.00 C ATOM 823 O SER A 52 -5.305 6.990 9.083 1.00 0.00 O ATOM 824 CB SER A 52 -2.666 8.907 7.614 1.00 0.00 C ATOM 825 OG SER A 52 -2.697 10.227 8.138 1.00 0.00 O ATOM 0 H SER A 52 -2.599 6.443 7.207 1.00 0.00 H new ATOM 0 HA SER A 52 -2.580 8.074 9.585 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.656 8.671 7.280 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.313 8.847 6.739 1.00 0.00 H new ATOM 0 HG SER A 52 -2.639 10.192 9.116 1.00 0.00 H new ATOM 831 N ASP A 53 -5.107 9.225 9.016 1.00 0.00 N ATOM 832 CA ASP A 53 -6.532 9.464 9.213 1.00 0.00 C ATOM 833 C ASP A 53 -7.333 8.693 8.171 1.00 0.00 C ATOM 834 O ASP A 53 -6.946 8.674 6.999 1.00 0.00 O ATOM 835 CB ASP A 53 -6.836 10.960 9.117 1.00 0.00 C ATOM 836 CG ASP A 53 -8.314 11.267 9.253 1.00 0.00 C ATOM 837 OD1 ASP A 53 -8.994 11.407 8.215 1.00 0.00 O ATOM 838 OD2 ASP A 53 -8.798 11.380 10.397 1.00 0.00 O ATOM 0 H ASP A 53 -4.542 10.072 8.953 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.817 9.117 10.206 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.286 11.489 9.896 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.477 11.339 8.160 1.00 0.00 H new ATOM 843 N LEU A 54 -8.418 8.047 8.619 1.00 0.00 N ATOM 844 CA LEU A 54 -9.244 7.183 7.765 1.00 0.00 C ATOM 845 C LEU A 54 -9.427 7.813 6.389 1.00 0.00 C ATOM 846 O LEU A 54 -8.790 7.383 5.427 1.00 0.00 O ATOM 847 CB LEU A 54 -10.605 6.911 8.433 1.00 0.00 C ATOM 848 CG LEU A 54 -11.359 5.651 7.972 1.00 0.00 C ATOM 849 CD1 LEU A 54 -11.919 5.817 6.571 1.00 0.00 C ATOM 850 CD2 LEU A 54 -10.453 4.432 8.031 1.00 0.00 C ATOM 0 H LEU A 54 -8.747 8.109 9.582 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.733 6.229 7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.448 6.839 9.509 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.248 7.775 8.261 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.196 5.504 8.654 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.445 4.908 6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.612 6.658 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.103 6.004 5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.005 3.552 7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.593 4.586 7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.110 4.283 9.055 1.00 0.00 H new ATOM 862 N SER A 55 -10.274 8.833 6.311 1.00 0.00 N ATOM 863 CA SER A 55 -10.409 9.643 5.102 1.00 0.00 C ATOM 864 C SER A 55 -11.566 10.616 5.223 1.00 0.00 C ATOM 865 O SER A 55 -12.332 10.589 6.187 1.00 0.00 O ATOM 866 CB SER A 55 -10.620 8.777 3.845 1.00 0.00 C ATOM 867 OG SER A 55 -11.614 7.788 4.055 1.00 0.00 O ATOM 0 H SER A 55 -10.883 9.122 7.077 1.00 0.00 H new ATOM 0 HA SER A 55 -9.474 10.193 4.996 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.909 9.413 3.008 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.680 8.297 3.571 1.00 0.00 H new ATOM 0 HG SER A 55 -11.223 6.899 3.925 1.00 0.00 H new ATOM 873 N PHE A 56 -11.670 11.476 4.231 1.00 0.00 N ATOM 874 CA PHE A 56 -12.824 12.338 4.069 1.00 0.00 C ATOM 875 C PHE A 56 -13.293 12.224 2.632 1.00 0.00 C ATOM 876 O PHE A 56 -12.559 12.585 1.711 1.00 0.00 O ATOM 877 CB PHE A 56 -12.503 13.803 4.427 1.00 0.00 C ATOM 878 CG PHE A 56 -13.672 14.736 4.255 1.00 0.00 C ATOM 879 CD1 PHE A 56 -14.747 14.692 5.131 1.00 0.00 C ATOM 880 CD2 PHE A 56 -13.692 15.658 3.219 1.00 0.00 C ATOM 881 CE1 PHE A 56 -15.820 15.549 4.976 1.00 0.00 C ATOM 882 CE2 PHE A 56 -14.765 16.516 3.059 1.00 0.00 C ATOM 883 CZ PHE A 56 -15.829 16.461 3.938 1.00 0.00 C ATOM 0 H PHE A 56 -10.956 11.598 3.513 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.611 12.021 4.753 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -12.161 13.849 5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.679 14.148 3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -14.745 13.980 5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -12.861 15.706 2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -16.650 15.506 5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -14.771 17.228 2.247 1.00 0.00 H new ATOM 0 HZ PHE A 56 -16.667 17.130 3.814 1.00 0.00 H new ATOM 893 N SER A 57 -14.484 11.669 2.439 1.00 0.00 N ATOM 894 CA SER A 57 -15.033 11.493 1.104 1.00 0.00 C ATOM 895 C SER A 57 -15.164 12.853 0.425 1.00 0.00 C ATOM 896 O SER A 57 -15.459 13.855 1.077 1.00 0.00 O ATOM 897 CB SER A 57 -16.395 10.791 1.172 1.00 0.00 C ATOM 898 OG SER A 57 -16.805 10.340 -0.110 1.00 0.00 O ATOM 0 H SER A 57 -15.086 11.334 3.191 1.00 0.00 H new ATOM 0 HA SER A 57 -14.359 10.866 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.337 9.945 1.857 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.141 11.476 1.575 1.00 0.00 H new ATOM 0 HG SER A 57 -16.096 9.792 -0.506 1.00 0.00 H new ATOM 904 N LYS A 58 -14.968 12.880 -0.882 1.00 0.00 N ATOM 905 CA LYS A 58 -14.911 14.141 -1.607 1.00 0.00 C ATOM 906 C LYS A 58 -15.866 14.081 -2.784 1.00 0.00 C ATOM 907 O LYS A 58 -16.962 14.638 -2.731 1.00 0.00 O ATOM 908 CB LYS A 58 -13.491 14.446 -2.101 1.00 0.00 C ATOM 909 CG LYS A 58 -12.410 14.277 -1.042 1.00 0.00 C ATOM 910 CD LYS A 58 -11.079 14.865 -1.491 1.00 0.00 C ATOM 911 CE LYS A 58 -10.623 14.307 -2.833 1.00 0.00 C ATOM 912 NZ LYS A 58 -10.381 12.842 -2.782 1.00 0.00 N ATOM 0 H LYS A 58 -14.846 12.049 -1.461 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.202 14.942 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.264 13.793 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.461 15.470 -2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.728 14.761 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.282 13.218 -0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.169 15.949 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.320 14.657 -0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.378 14.522 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.709 14.813 -3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.415 12.638 -3.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.494 12.505 -1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.064 12.356 -3.397 1.00 0.00 H new ATOM 926 N ASP A 59 -15.459 13.388 -3.840 1.00 0.00 N ATOM 927 CA ASP A 59 -16.314 13.190 -4.998 1.00 0.00 C ATOM 928 C ASP A 59 -16.360 11.712 -5.380 1.00 0.00 C ATOM 929 O ASP A 59 -17.374 11.223 -5.875 1.00 0.00 O ATOM 930 CB ASP A 59 -15.808 14.030 -6.172 1.00 0.00 C ATOM 931 CG ASP A 59 -16.733 13.981 -7.370 1.00 0.00 C ATOM 932 OD1 ASP A 59 -17.950 14.210 -7.197 1.00 0.00 O ATOM 933 OD2 ASP A 59 -16.247 13.750 -8.499 1.00 0.00 O ATOM 0 H ASP A 59 -14.539 12.954 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.325 13.511 -4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.693 15.065 -5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.820 13.676 -6.467 1.00 0.00 H new ATOM 938 N TRP A 60 -15.264 10.999 -5.134 1.00 0.00 N ATOM 939 CA TRP A 60 -15.174 9.586 -5.489 1.00 0.00 C ATOM 940 C TRP A 60 -14.874 8.696 -4.285 1.00 0.00 C ATOM 941 O TRP A 60 -13.712 8.438 -3.980 1.00 0.00 O ATOM 942 CB TRP A 60 -14.092 9.369 -6.550 1.00 0.00 C ATOM 943 CG TRP A 60 -14.514 9.765 -7.928 1.00 0.00 C ATOM 944 CD1 TRP A 60 -14.290 10.959 -8.548 1.00 0.00 C ATOM 945 CD2 TRP A 60 -15.235 8.953 -8.860 1.00 0.00 C ATOM 946 NE1 TRP A 60 -14.829 10.939 -9.809 1.00 0.00 N ATOM 947 CE2 TRP A 60 -15.415 9.720 -10.023 1.00 0.00 C ATOM 948 CE3 TRP A 60 -15.744 7.653 -8.821 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -16.083 9.230 -11.140 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -16.409 7.164 -9.929 1.00 0.00 C ATOM 951 CH2 TRP A 60 -16.574 7.956 -11.082 1.00 0.00 C ATOM 0 H TRP A 60 -14.427 11.376 -4.691 1.00 0.00 H new ATOM 0 HA TRP A 60 -16.151 9.304 -5.882 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -13.205 9.939 -6.273 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -13.806 8.317 -6.555 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -13.766 11.796 -8.111 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -14.798 11.708 -10.479 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -15.620 7.041 -7.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -16.210 9.837 -12.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -16.808 6.161 -9.911 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -17.097 7.550 -11.935 1.00 0.00 H new ATOM 962 N SER A 61 -15.926 8.233 -3.613 1.00 0.00 N ATOM 963 CA SER A 61 -15.809 7.192 -2.587 1.00 0.00 C ATOM 964 C SER A 61 -14.975 7.636 -1.378 1.00 0.00 C ATOM 965 O SER A 61 -14.719 8.828 -1.179 1.00 0.00 O ATOM 966 CB SER A 61 -15.194 5.930 -3.217 1.00 0.00 C ATOM 967 OG SER A 61 -16.024 5.420 -4.249 1.00 0.00 O ATOM 0 H SER A 61 -16.879 8.565 -3.761 1.00 0.00 H new ATOM 0 HA SER A 61 -16.812 6.984 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.209 6.164 -3.620 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.052 5.169 -2.450 1.00 0.00 H new ATOM 0 HG SER A 61 -15.611 4.619 -4.635 1.00 0.00 H new ATOM 973 N PHE A 62 -14.599 6.660 -0.552 1.00 0.00 N ATOM 974 CA PHE A 62 -13.713 6.888 0.585 1.00 0.00 C ATOM 975 C PHE A 62 -12.344 6.306 0.265 1.00 0.00 C ATOM 976 O PHE A 62 -12.173 5.626 -0.747 1.00 0.00 O ATOM 977 CB PHE A 62 -14.262 6.224 1.861 1.00 0.00 C ATOM 978 CG PHE A 62 -15.675 6.606 2.238 1.00 0.00 C ATOM 979 CD1 PHE A 62 -15.917 7.563 3.218 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.759 5.988 1.632 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.214 7.893 3.582 1.00 0.00 C ATOM 982 CE2 PHE A 62 -18.054 6.318 1.990 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.279 7.270 2.965 1.00 0.00 C ATOM 0 H PHE A 62 -14.901 5.691 -0.653 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.642 7.961 0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -14.218 5.142 1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.603 6.474 2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.085 8.055 3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -16.590 5.240 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.390 8.636 4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -18.889 5.831 1.507 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.290 7.527 3.245 1.00 0.00 H new ATOM 993 N TYR A 63 -11.374 6.562 1.128 1.00 0.00 N ATOM 994 CA TYR A 63 -9.997 6.161 0.867 1.00 0.00 C ATOM 995 C TYR A 63 -9.354 5.613 2.140 1.00 0.00 C ATOM 996 O TYR A 63 -9.780 5.948 3.241 1.00 0.00 O ATOM 997 CB TYR A 63 -9.190 7.374 0.354 1.00 0.00 C ATOM 998 CG TYR A 63 -9.863 8.146 -0.766 1.00 0.00 C ATOM 999 CD1 TYR A 63 -10.594 9.299 -0.494 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -9.772 7.727 -2.090 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -11.216 10.004 -1.508 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.390 8.434 -3.107 1.00 0.00 C ATOM 1003 CZ TYR A 63 -11.108 9.568 -2.807 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.731 10.265 -3.813 1.00 0.00 O ATOM 0 H TYR A 63 -11.512 7.045 2.015 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.996 5.378 0.108 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.007 8.052 1.188 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.217 7.027 0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.677 9.648 0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.210 6.836 -2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.784 10.894 -1.280 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.309 8.097 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.543 9.789 -4.087 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.362 4.742 1.998 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.553 4.336 3.136 1.00 0.00 C ATOM 1016 C LEU A 64 -6.110 4.136 2.690 1.00 0.00 C ATOM 1017 O LEU A 64 -5.842 3.479 1.681 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.170 3.087 3.801 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.340 2.366 4.867 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.273 1.736 5.883 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.472 1.296 4.235 1.00 0.00 C ATOM 0 H LEU A 64 -8.101 4.307 1.113 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.542 5.116 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.116 3.381 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.403 2.369 3.015 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.690 3.089 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.687 1.221 6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.877 2.512 6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.926 1.021 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.890 0.795 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.104 0.567 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.797 1.755 3.513 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.195 4.739 3.442 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.799 4.818 3.038 1.00 0.00 C ATOM 1035 C LEU A 65 -2.847 4.225 4.077 1.00 0.00 C ATOM 1036 O LEU A 65 -2.745 4.710 5.201 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.439 6.281 2.751 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.930 6.617 2.706 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.220 5.775 1.681 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -1.716 8.102 2.429 1.00 0.00 C ATOM 0 H LEU A 65 -5.398 5.181 4.338 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.680 4.218 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.881 6.561 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.906 6.905 3.513 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.504 6.387 3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.161 6.031 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.336 4.721 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.649 5.962 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.648 8.317 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.163 8.361 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.184 8.690 3.218 1.00 0.00 H new ATOM 1052 N TYR A 66 -2.112 3.204 3.660 1.00 0.00 N ATOM 1053 CA TYR A 66 -1.113 2.567 4.505 1.00 0.00 C ATOM 1054 C TYR A 66 0.274 2.908 3.987 1.00 0.00 C ATOM 1055 O TYR A 66 0.626 2.565 2.859 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.310 1.049 4.551 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.194 0.562 5.680 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.555 0.354 5.494 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -1.652 0.271 6.926 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.347 -0.122 6.514 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -2.442 -0.202 7.956 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.789 -0.400 7.744 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.578 -0.866 8.770 1.00 0.00 O ATOM 0 H TYR A 66 -2.191 2.795 2.729 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.225 2.942 5.522 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.740 0.723 3.604 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.334 0.572 4.639 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.999 0.569 4.533 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.595 0.417 7.092 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.403 -0.277 6.351 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.007 -0.415 8.921 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.471 -1.837 8.850 1.00 0.00 H new ATOM 1073 N TYR A 67 1.044 3.605 4.802 1.00 0.00 N ATOM 1074 CA TYR A 67 2.353 4.085 4.378 1.00 0.00 C ATOM 1075 C TYR A 67 3.411 3.820 5.436 1.00 0.00 C ATOM 1076 O TYR A 67 3.097 3.487 6.578 1.00 0.00 O ATOM 1077 CB TYR A 67 2.306 5.593 4.062 1.00 0.00 C ATOM 1078 CG TYR A 67 2.033 6.482 5.266 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.076 7.089 5.957 1.00 0.00 C ATOM 1080 CD2 TYR A 67 0.735 6.720 5.704 1.00 0.00 C ATOM 1081 CE1 TYR A 67 2.832 7.905 7.047 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.484 7.537 6.794 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.535 8.126 7.460 1.00 0.00 C ATOM 1084 OH TYR A 67 1.288 8.931 8.549 1.00 0.00 O ATOM 0 H TYR A 67 0.790 3.852 5.758 1.00 0.00 H new ATOM 0 HA TYR A 67 2.621 3.537 3.475 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.256 5.888 3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.534 5.770 3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.094 6.920 5.637 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.093 6.259 5.185 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.654 8.367 7.573 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.531 7.711 7.120 1.00 0.00 H new ATOM 0 HH TYR A 67 0.322 8.983 8.705 1.00 0.00 H new ATOM 1094 N THR A 68 4.663 3.964 5.040 1.00 0.00 N ATOM 1095 CA THR A 68 5.779 3.838 5.961 1.00 0.00 C ATOM 1096 C THR A 68 6.983 4.616 5.426 1.00 0.00 C ATOM 1097 O THR A 68 7.195 4.690 4.209 1.00 0.00 O ATOM 1098 CB THR A 68 6.159 2.351 6.187 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.137 2.236 7.227 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.691 1.709 4.910 1.00 0.00 C ATOM 0 H THR A 68 4.934 4.170 4.078 1.00 0.00 H new ATOM 0 HA THR A 68 5.477 4.255 6.922 1.00 0.00 H new ATOM 0 HB THR A 68 5.252 1.824 6.483 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.365 1.292 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.947 0.668 5.106 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.927 1.755 4.134 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.580 2.245 4.576 1.00 0.00 H new ATOM 1108 N GLU A 69 7.731 5.238 6.328 1.00 0.00 N ATOM 1109 CA GLU A 69 8.972 5.905 5.960 1.00 0.00 C ATOM 1110 C GLU A 69 10.077 4.861 5.879 1.00 0.00 C ATOM 1111 O GLU A 69 10.297 4.110 6.830 1.00 0.00 O ATOM 1112 CB GLU A 69 9.340 6.984 6.994 1.00 0.00 C ATOM 1113 CG GLU A 69 10.522 7.852 6.582 1.00 0.00 C ATOM 1114 CD GLU A 69 11.051 8.694 7.721 1.00 0.00 C ATOM 1115 OE1 GLU A 69 10.747 9.905 7.770 1.00 0.00 O ATOM 1116 OE2 GLU A 69 11.773 8.144 8.578 1.00 0.00 O ATOM 0 H GLU A 69 7.500 5.294 7.320 1.00 0.00 H new ATOM 0 HA GLU A 69 8.847 6.396 4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.473 7.623 7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.570 6.501 7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.322 7.215 6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.221 8.504 5.762 1.00 0.00 H new ATOM 1123 N PHE A 70 10.781 4.828 4.763 1.00 0.00 N ATOM 1124 CA PHE A 70 11.720 3.747 4.503 1.00 0.00 C ATOM 1125 C PHE A 70 12.968 4.280 3.811 1.00 0.00 C ATOM 1126 O PHE A 70 12.949 5.364 3.223 1.00 0.00 O ATOM 1127 CB PHE A 70 11.062 2.630 3.665 1.00 0.00 C ATOM 1128 CG PHE A 70 10.691 3.008 2.249 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.648 2.040 1.260 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.381 4.310 1.908 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.305 2.362 -0.039 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.039 4.644 0.610 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.001 3.668 -0.366 1.00 0.00 C ATOM 0 H PHE A 70 10.723 5.530 4.026 1.00 0.00 H new ATOM 0 HA PHE A 70 12.015 3.316 5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.742 1.779 3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.162 2.296 4.181 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.887 1.016 1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.406 5.079 2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.275 1.593 -0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.802 5.668 0.360 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.735 3.925 -1.381 1.00 0.00 H new ATOM 1143 N THR A 71 14.050 3.534 3.916 1.00 0.00 N ATOM 1144 CA THR A 71 15.267 3.839 3.197 1.00 0.00 C ATOM 1145 C THR A 71 15.605 2.680 2.257 1.00 0.00 C ATOM 1146 O THR A 71 16.289 1.733 2.653 1.00 0.00 O ATOM 1147 CB THR A 71 16.436 4.093 4.169 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.079 5.128 5.100 1.00 0.00 O ATOM 1149 CG2 THR A 71 17.693 4.503 3.417 1.00 0.00 C ATOM 0 H THR A 71 14.108 2.701 4.502 1.00 0.00 H new ATOM 0 HA THR A 71 15.111 4.748 2.616 1.00 0.00 H new ATOM 0 HB THR A 71 16.639 3.166 4.705 1.00 0.00 H new ATOM 0 HG1 THR A 71 16.824 5.285 5.717 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.502 4.676 4.127 1.00 0.00 H new ATOM 0 HG22 THR A 71 17.979 3.709 2.727 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.500 5.418 2.857 1.00 0.00 H new ATOM 1157 N PRO A 72 15.071 2.716 1.017 1.00 0.00 N ATOM 1158 CA PRO A 72 15.304 1.679 0.002 1.00 0.00 C ATOM 1159 C PRO A 72 16.778 1.351 -0.193 1.00 0.00 C ATOM 1160 O PRO A 72 17.644 2.223 -0.095 1.00 0.00 O ATOM 1161 CB PRO A 72 14.731 2.292 -1.293 1.00 0.00 C ATOM 1162 CG PRO A 72 14.433 3.721 -0.968 1.00 0.00 C ATOM 1163 CD PRO A 72 14.174 3.760 0.507 1.00 0.00 C ATOM 0 HA PRO A 72 14.839 0.738 0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.447 2.218 -2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.830 1.766 -1.609 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.271 4.365 -1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.567 4.076 -1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.404 4.736 0.933 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.131 3.548 0.741 1.00 0.00 H new ATOM 1171 N THR A 73 17.051 0.089 -0.483 1.00 0.00 N ATOM 1172 CA THR A 73 18.403 -0.373 -0.702 1.00 0.00 C ATOM 1173 C THR A 73 18.477 -1.158 -2.001 1.00 0.00 C ATOM 1174 O THR A 73 17.440 -1.509 -2.576 1.00 0.00 O ATOM 1175 CB THR A 73 18.902 -1.270 0.452 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.170 -2.500 0.467 1.00 0.00 O ATOM 1177 CG2 THR A 73 18.743 -0.581 1.796 1.00 0.00 C ATOM 0 H THR A 73 16.341 -0.638 -0.572 1.00 0.00 H new ATOM 0 HA THR A 73 19.042 0.509 -0.752 1.00 0.00 H new ATOM 0 HB THR A 73 19.961 -1.468 0.285 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.740 -3.215 0.819 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.103 -1.239 2.587 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.321 0.343 1.802 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.691 -0.352 1.965 1.00 0.00 H new ATOM 1185 N GLU A 74 19.686 -1.382 -2.482 1.00 0.00 N ATOM 1186 CA GLU A 74 19.922 -2.230 -3.644 1.00 0.00 C ATOM 1187 C GLU A 74 19.291 -3.609 -3.440 1.00 0.00 C ATOM 1188 O GLU A 74 18.530 -4.098 -4.276 1.00 0.00 O ATOM 1189 CB GLU A 74 21.438 -2.372 -3.844 1.00 0.00 C ATOM 1190 CG GLU A 74 21.886 -2.782 -5.243 1.00 0.00 C ATOM 1191 CD GLU A 74 21.292 -4.089 -5.730 1.00 0.00 C ATOM 1192 OE1 GLU A 74 20.414 -4.055 -6.621 1.00 0.00 O ATOM 1193 OE2 GLU A 74 21.704 -5.161 -5.232 1.00 0.00 O ATOM 0 H GLU A 74 20.534 -0.983 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 74 19.467 -1.777 -4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.909 -1.421 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.812 -3.108 -3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.618 -1.991 -5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.973 -2.864 -5.254 1.00 0.00 H new ATOM 1200 N LYS A 75 19.582 -4.199 -2.295 1.00 0.00 N ATOM 1201 CA LYS A 75 19.327 -5.605 -2.061 1.00 0.00 C ATOM 1202 C LYS A 75 17.917 -5.897 -1.560 1.00 0.00 C ATOM 1203 O LYS A 75 17.430 -7.016 -1.727 1.00 0.00 O ATOM 1204 CB LYS A 75 20.339 -6.125 -1.054 1.00 0.00 C ATOM 1205 CG LYS A 75 21.772 -6.095 -1.562 1.00 0.00 C ATOM 1206 CD LYS A 75 22.719 -5.554 -0.511 1.00 0.00 C ATOM 1207 CE LYS A 75 24.145 -5.474 -1.027 1.00 0.00 C ATOM 1208 NZ LYS A 75 25.099 -5.137 0.061 1.00 0.00 N ATOM 0 H LYS A 75 20.002 -3.715 -1.502 1.00 0.00 H new ATOM 0 HA LYS A 75 19.423 -6.111 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.272 -5.529 -0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.079 -7.149 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.079 -7.101 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.829 -5.477 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.389 -4.563 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.687 -6.193 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.425 -6.427 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.207 -4.721 -1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 26.064 -5.090 -0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.846 -4.216 0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 25.057 -5.869 0.799 1.00 0.00 H new ATOM 1222 N ASP A 76 17.254 -4.920 -0.957 1.00 0.00 N ATOM 1223 CA ASP A 76 15.951 -5.187 -0.343 1.00 0.00 C ATOM 1224 C ASP A 76 14.810 -4.795 -1.278 1.00 0.00 C ATOM 1225 O ASP A 76 15.040 -4.283 -2.376 1.00 0.00 O ATOM 1226 CB ASP A 76 15.800 -4.446 0.985 1.00 0.00 C ATOM 1227 CG ASP A 76 15.180 -5.309 2.065 1.00 0.00 C ATOM 1228 OD1 ASP A 76 13.945 -5.477 2.063 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.926 -5.809 2.933 1.00 0.00 O ATOM 0 H ASP A 76 17.582 -3.957 -0.878 1.00 0.00 H new ATOM 0 HA ASP A 76 15.901 -6.259 -0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.779 -4.101 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.184 -3.560 0.835 1.00 0.00 H new ATOM 1234 N GLU A 77 13.583 -5.011 -0.818 1.00 0.00 N ATOM 1235 CA GLU A 77 12.396 -4.788 -1.637 1.00 0.00 C ATOM 1236 C GLU A 77 11.153 -4.769 -0.750 1.00 0.00 C ATOM 1237 O GLU A 77 11.139 -5.380 0.315 1.00 0.00 O ATOM 1238 CB GLU A 77 12.267 -5.889 -2.696 1.00 0.00 C ATOM 1239 CG GLU A 77 11.218 -5.610 -3.772 1.00 0.00 C ATOM 1240 CD GLU A 77 11.737 -4.705 -4.880 1.00 0.00 C ATOM 1241 OE1 GLU A 77 11.918 -3.495 -4.637 1.00 0.00 O ATOM 1242 OE2 GLU A 77 11.952 -5.205 -6.008 1.00 0.00 O ATOM 0 H GLU A 77 13.383 -5.343 0.125 1.00 0.00 H new ATOM 0 HA GLU A 77 12.491 -3.827 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.235 -6.029 -3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.020 -6.827 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.888 -6.554 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.345 -5.148 -3.311 1.00 0.00 H new ATOM 1249 N TYR A 78 10.120 -4.065 -1.194 1.00 0.00 N ATOM 1250 CA TYR A 78 8.902 -3.909 -0.419 1.00 0.00 C ATOM 1251 C TYR A 78 7.689 -4.359 -1.231 1.00 0.00 C ATOM 1252 O TYR A 78 7.725 -4.379 -2.462 1.00 0.00 O ATOM 1253 CB TYR A 78 8.741 -2.445 0.026 1.00 0.00 C ATOM 1254 CG TYR A 78 10.011 -1.840 0.595 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.215 -1.767 1.966 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.014 -1.359 -0.242 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.380 -1.237 2.487 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.179 -0.827 0.273 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.358 -0.770 1.639 1.00 0.00 C ATOM 1260 OH TYR A 78 13.518 -0.248 2.158 1.00 0.00 O ATOM 0 H TYR A 78 10.105 -3.590 -2.096 1.00 0.00 H new ATOM 0 HA TYR A 78 8.971 -4.538 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.415 -1.849 -0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.953 -2.387 0.777 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.451 -2.130 2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.878 -1.403 -1.313 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.523 -1.189 3.556 1.00 0.00 H new ATOM 0 HE2 TYR A 78 12.947 -0.457 -0.391 1.00 0.00 H new ATOM 0 HH TYR A 78 14.283 -0.771 1.840 1.00 0.00 H new ATOM 1270 N ALA A 79 6.629 -4.746 -0.536 1.00 0.00 N ATOM 1271 CA ALA A 79 5.400 -5.209 -1.191 1.00 0.00 C ATOM 1272 C ALA A 79 4.158 -4.655 -0.498 1.00 0.00 C ATOM 1273 O ALA A 79 4.251 -4.124 0.597 1.00 0.00 O ATOM 1274 CB ALA A 79 5.345 -6.728 -1.234 1.00 0.00 C ATOM 0 H ALA A 79 6.589 -4.751 0.483 1.00 0.00 H new ATOM 0 HA ALA A 79 5.415 -4.833 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.425 -7.045 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.202 -7.107 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.369 -7.122 -0.218 1.00 0.00 H new ATOM 1280 N CYS A 80 3.012 -4.728 -1.160 1.00 0.00 N ATOM 1281 CA CYS A 80 1.739 -4.320 -0.565 1.00 0.00 C ATOM 1282 C CYS A 80 0.769 -5.507 -0.524 1.00 0.00 C ATOM 1283 O CYS A 80 0.645 -6.238 -1.507 1.00 0.00 O ATOM 1284 CB CYS A 80 1.116 -3.194 -1.390 1.00 0.00 C ATOM 1285 SG CYS A 80 1.468 -1.517 -0.780 1.00 0.00 S ATOM 0 H CYS A 80 2.934 -5.069 -2.118 1.00 0.00 H new ATOM 0 HA CYS A 80 1.927 -3.971 0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.473 -3.274 -2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.036 -3.337 -1.416 1.00 0.00 H new ATOM 1290 N ARG A 81 0.103 -5.704 0.608 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.913 -6.755 0.746 1.00 0.00 C ATOM 1292 C ARG A 81 -2.258 -6.149 1.122 1.00 0.00 C ATOM 1293 O ARG A 81 -2.307 -5.224 1.924 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.529 -7.722 1.858 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.279 -9.041 1.836 1.00 0.00 C ATOM 1296 CD ARG A 81 -1.363 -9.637 3.236 1.00 0.00 C ATOM 1297 NE ARG A 81 -0.098 -9.570 3.958 1.00 0.00 N ATOM 1298 CZ ARG A 81 0.353 -10.517 4.776 1.00 0.00 C ATOM 1299 NH1 ARG A 81 -0.302 -11.667 4.896 1.00 0.00 N ATOM 1300 NH2 ARG A 81 1.462 -10.310 5.474 1.00 0.00 N ATOM 0 H ARG A 81 0.246 -5.149 1.452 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.979 -7.274 -0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.540 -7.926 1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.702 -7.237 2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.283 -8.888 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.776 -9.740 1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.129 -9.109 3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.680 -10.677 3.164 1.00 0.00 H new ATOM 0 HE ARG A 81 0.481 -8.740 3.827 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.155 -11.827 4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.048 -12.390 5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.965 -9.427 5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.812 -11.033 6.102 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.351 -6.670 0.569 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.684 -6.262 1.016 1.00 0.00 C ATOM 1316 C VAL A 82 -5.597 -7.465 1.164 1.00 0.00 C ATOM 1317 O VAL A 82 -5.507 -8.438 0.410 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.361 -5.222 0.096 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.358 -4.218 -0.397 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -6.097 -5.875 -1.062 1.00 0.00 C ATOM 0 H VAL A 82 -3.344 -7.365 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.528 -5.783 1.983 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.109 -4.699 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.855 -3.494 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.914 -3.700 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.577 -4.730 -0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.557 -5.105 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.393 -6.451 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.870 -6.538 -0.674 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.448 -7.397 2.164 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.388 -8.465 2.452 1.00 0.00 C ATOM 1332 C ASN A 83 -8.826 -7.958 2.401 1.00 0.00 C ATOM 1333 O ASN A 83 -9.189 -7.061 3.160 1.00 0.00 O ATOM 1334 CB ASN A 83 -7.115 -9.048 3.851 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.677 -9.506 4.053 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.376 -10.693 4.002 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.770 -8.567 4.266 1.00 0.00 N ATOM 0 H ASN A 83 -6.510 -6.603 2.801 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.256 -9.237 1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.356 -8.296 4.602 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.783 -9.893 4.020 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.791 -8.823 4.393 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.050 -7.587 4.303 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.640 -8.520 1.509 1.00 0.00 N ATOM 1345 CA HIS A 84 -11.056 -8.191 1.458 1.00 0.00 C ATOM 1346 C HIS A 84 -11.835 -9.429 1.039 1.00 0.00 C ATOM 1347 O HIS A 84 -11.229 -10.400 0.584 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.318 -7.043 0.484 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.505 -6.216 0.855 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.648 -6.216 0.094 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.665 -5.372 1.902 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.475 -5.371 0.687 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.924 -4.836 1.786 1.00 0.00 N ATOM 0 H HIS A 84 -9.340 -9.204 0.814 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.382 -7.866 2.446 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.437 -6.403 0.441 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.465 -7.450 -0.516 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.943 -5.161 2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.468 -5.141 0.331 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.357 -4.160 2.415 1.00 0.00 H new ATOM 1361 N VAL A 85 -13.157 -9.420 1.191 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.950 -10.605 0.889 1.00 0.00 C ATOM 1363 C VAL A 85 -13.917 -10.934 -0.604 1.00 0.00 C ATOM 1364 O VAL A 85 -14.066 -12.093 -0.996 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.419 -10.446 1.348 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -15.485 -10.196 2.847 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -16.122 -9.327 0.587 1.00 0.00 C ATOM 0 H VAL A 85 -13.694 -8.617 1.517 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.499 -11.428 1.444 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.940 -11.377 1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.526 -10.087 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.038 -11.038 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.938 -9.284 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -17.152 -9.242 0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.602 -8.385 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -16.116 -9.552 -0.479 1.00 0.00 H new ATOM 1377 N THR A 86 -13.692 -9.915 -1.431 1.00 0.00 N ATOM 1378 CA THR A 86 -13.775 -10.066 -2.873 1.00 0.00 C ATOM 1379 C THR A 86 -12.633 -10.912 -3.407 1.00 0.00 C ATOM 1380 O THR A 86 -12.826 -11.777 -4.261 1.00 0.00 O ATOM 1381 CB THR A 86 -13.743 -8.694 -3.566 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.485 -8.055 -3.314 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.863 -7.801 -3.062 1.00 0.00 C ATOM 0 H THR A 86 -13.450 -8.974 -1.120 1.00 0.00 H new ATOM 0 HA THR A 86 -14.719 -10.566 -3.090 1.00 0.00 H new ATOM 0 HB THR A 86 -13.876 -8.852 -4.636 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.846 -8.302 -4.015 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.816 -6.837 -3.569 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.824 -8.272 -3.267 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.754 -7.651 -1.988 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.443 -10.644 -2.899 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.261 -11.357 -3.326 1.00 0.00 C ATOM 1393 C LEU A 87 -10.261 -12.738 -2.694 1.00 0.00 C ATOM 1394 O LEU A 87 -10.149 -12.867 -1.475 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.993 -10.581 -2.929 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.851 -9.194 -3.567 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.551 -8.518 -3.139 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.921 -9.298 -5.082 1.00 0.00 C ATOM 0 H LEU A 87 -11.274 -9.934 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.268 -11.456 -4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.980 -10.468 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.122 -11.178 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.680 -8.578 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.480 -7.537 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.540 -8.404 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.704 -9.130 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.819 -8.305 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.114 -9.938 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.880 -9.726 -5.373 1.00 0.00 H new ATOM 1410 N SER A 88 -10.405 -13.765 -3.521 1.00 0.00 N ATOM 1411 CA SER A 88 -10.448 -15.137 -3.034 1.00 0.00 C ATOM 1412 C SER A 88 -9.132 -15.493 -2.341 1.00 0.00 C ATOM 1413 O SER A 88 -9.061 -16.432 -1.546 1.00 0.00 O ATOM 1414 CB SER A 88 -10.745 -16.093 -4.191 1.00 0.00 C ATOM 1415 OG SER A 88 -9.787 -15.949 -5.227 1.00 0.00 O ATOM 0 H SER A 88 -10.494 -13.674 -4.533 1.00 0.00 H new ATOM 0 HA SER A 88 -11.249 -15.234 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.742 -17.121 -3.828 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.743 -15.896 -4.583 1.00 0.00 H new ATOM 0 HG SER A 88 -9.996 -16.571 -5.955 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.097 -14.716 -2.653 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.814 -14.784 -1.974 1.00 0.00 C ATOM 1423 C GLN A 89 -6.343 -13.340 -1.783 1.00 0.00 C ATOM 1424 O GLN A 89 -6.334 -12.591 -2.762 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.770 -15.517 -2.836 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.286 -16.747 -3.572 1.00 0.00 C ATOM 1427 CD GLN A 89 -5.396 -17.134 -4.737 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -4.183 -16.929 -4.704 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -5.992 -17.671 -5.788 1.00 0.00 N ATOM 0 H GLN A 89 -8.131 -14.015 -3.393 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.921 -15.321 -1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.370 -14.816 -3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.940 -15.817 -2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.354 -17.583 -2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.295 -16.553 -3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.000 -17.826 -5.779 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.444 -17.930 -6.608 1.00 0.00 H new ATOM 1438 N PRO A 90 -6.002 -12.895 -0.548 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.417 -11.559 -0.339 1.00 0.00 C ATOM 1440 C PRO A 90 -4.340 -11.225 -1.350 1.00 0.00 C ATOM 1441 O PRO A 90 -3.486 -12.053 -1.672 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.816 -11.683 1.043 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.808 -12.522 1.754 1.00 0.00 C ATOM 1444 CD PRO A 90 -6.195 -13.594 0.750 1.00 0.00 C ATOM 0 HA PRO A 90 -6.154 -10.763 -0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.833 -12.153 1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.692 -10.711 1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.382 -12.960 2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.674 -11.936 2.062 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.563 -14.478 0.834 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.225 -13.925 0.885 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.380 -10.001 -1.823 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.559 -9.595 -2.932 1.00 0.00 C ATOM 1454 C LYS A 91 -2.245 -9.011 -2.464 1.00 0.00 C ATOM 1455 O LYS A 91 -2.212 -8.135 -1.602 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.287 -8.568 -3.789 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.523 -8.210 -5.040 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.434 -9.388 -5.978 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.712 -9.573 -6.780 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.528 -10.555 -7.880 1.00 0.00 N ATOM 0 H LYS A 91 -4.980 -9.265 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.353 -10.486 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.266 -8.959 -4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.458 -7.666 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.013 -7.377 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.520 -7.876 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.595 -9.247 -6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.231 -10.293 -5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.511 -9.910 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.024 -8.615 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.419 -10.657 -8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.782 -10.220 -8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.254 -11.476 -7.481 1.00 0.00 H new ATOM 1474 N ILE A 92 -1.172 -9.513 -3.036 1.00 0.00 N ATOM 1475 CA ILE A 92 0.146 -8.944 -2.825 1.00 0.00 C ATOM 1476 C ILE A 92 0.662 -8.380 -4.136 1.00 0.00 C ATOM 1477 O ILE A 92 0.655 -9.060 -5.162 1.00 0.00 O ATOM 1478 CB ILE A 92 1.195 -9.960 -2.300 1.00 0.00 C ATOM 1479 CG1 ILE A 92 0.847 -10.489 -0.899 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.582 -9.327 -2.285 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -0.305 -11.467 -0.871 1.00 0.00 C ATOM 0 H ILE A 92 -1.185 -10.322 -3.657 1.00 0.00 H new ATOM 0 HA ILE A 92 0.024 -8.176 -2.062 1.00 0.00 H new ATOM 0 HB ILE A 92 1.186 -10.810 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.728 -10.972 -0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.606 -9.644 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.308 -10.051 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.855 -9.024 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.576 -8.453 -1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.483 -11.790 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.201 -10.985 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.062 -12.333 -1.487 1.00 0.00 H new ATOM 1493 N VAL A 93 1.095 -7.146 -4.095 1.00 0.00 N ATOM 1494 CA VAL A 93 1.728 -6.522 -5.233 1.00 0.00 C ATOM 1495 C VAL A 93 3.079 -5.995 -4.799 1.00 0.00 C ATOM 1496 O VAL A 93 3.185 -5.272 -3.810 1.00 0.00 O ATOM 1497 CB VAL A 93 0.875 -5.383 -5.833 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.616 -4.695 -6.971 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.459 -5.923 -6.325 1.00 0.00 C ATOM 0 H VAL A 93 1.020 -6.545 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 93 1.840 -7.270 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 93 0.689 -4.648 -5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.996 -3.896 -7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.549 -4.275 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.834 -5.421 -7.755 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.049 -5.108 -6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.285 -6.678 -7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.000 -6.370 -5.491 1.00 0.00 H new ATOM 1509 N LYS A 94 4.104 -6.390 -5.518 1.00 0.00 N ATOM 1510 CA LYS A 94 5.446 -6.002 -5.171 1.00 0.00 C ATOM 1511 C LYS A 94 5.714 -4.604 -5.706 1.00 0.00 C ATOM 1512 O LYS A 94 5.198 -4.226 -6.758 1.00 0.00 O ATOM 1513 CB LYS A 94 6.452 -7.011 -5.727 1.00 0.00 C ATOM 1514 CG LYS A 94 7.266 -6.495 -6.897 1.00 0.00 C ATOM 1515 CD LYS A 94 8.313 -7.503 -7.326 1.00 0.00 C ATOM 1516 CE LYS A 94 9.729 -6.935 -7.301 1.00 0.00 C ATOM 1517 NZ LYS A 94 9.805 -5.538 -7.799 1.00 0.00 N ATOM 0 H LYS A 94 4.031 -6.980 -6.347 1.00 0.00 H new ATOM 0 HA LYS A 94 5.557 -5.991 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.132 -7.307 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.916 -7.908 -6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.604 -6.276 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.751 -5.559 -6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.264 -8.372 -6.670 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.084 -7.851 -8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.111 -6.972 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.378 -7.566 -7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.747 -5.364 -8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.081 -5.391 -8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.640 -4.879 -7.011 1.00 0.00 H new ATOM 1531 N TRP A 95 6.499 -3.841 -4.978 1.00 0.00 N ATOM 1532 CA TRP A 95 6.848 -2.502 -5.401 1.00 0.00 C ATOM 1533 C TRP A 95 7.991 -2.586 -6.403 1.00 0.00 C ATOM 1534 O TRP A 95 8.971 -3.296 -6.178 1.00 0.00 O ATOM 1535 CB TRP A 95 7.247 -1.652 -4.187 1.00 0.00 C ATOM 1536 CG TRP A 95 7.608 -0.245 -4.528 1.00 0.00 C ATOM 1537 CD1 TRP A 95 6.768 0.726 -4.995 1.00 0.00 C ATOM 1538 CD2 TRP A 95 8.899 0.362 -4.400 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.467 1.895 -5.181 1.00 0.00 N ATOM 1540 CE2 TRP A 95 8.772 1.696 -4.818 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.151 -0.095 -3.974 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 9.844 2.579 -4.820 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.216 0.783 -3.971 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.056 2.114 -4.392 1.00 0.00 C ATOM 0 H TRP A 95 6.909 -4.125 -4.088 1.00 0.00 H new ATOM 0 HA TRP A 95 5.990 -2.026 -5.875 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.422 -1.643 -3.475 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.094 -2.123 -3.688 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.714 0.595 -5.189 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.077 2.769 -5.533 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.282 -1.118 -3.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 9.724 3.601 -5.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.186 0.442 -3.640 1.00 0.00 H new ATOM 0 HH2 TRP A 95 11.905 2.781 -4.377 1.00 0.00 H new ATOM 1555 N ASP A 96 7.845 -1.913 -7.527 1.00 0.00 N ATOM 1556 CA ASP A 96 8.879 -1.929 -8.546 1.00 0.00 C ATOM 1557 C ASP A 96 9.320 -0.519 -8.881 1.00 0.00 C ATOM 1558 O ASP A 96 8.511 0.405 -8.960 1.00 0.00 O ATOM 1559 CB ASP A 96 8.411 -2.664 -9.815 1.00 0.00 C ATOM 1560 CG ASP A 96 7.149 -2.083 -10.432 1.00 0.00 C ATOM 1561 OD1 ASP A 96 7.248 -1.136 -11.242 1.00 0.00 O ATOM 1562 OD2 ASP A 96 6.051 -2.596 -10.128 1.00 0.00 O ATOM 0 H ASP A 96 7.026 -1.351 -7.758 1.00 0.00 H new ATOM 0 HA ASP A 96 9.732 -2.475 -8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.211 -2.637 -10.555 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.236 -3.712 -9.573 1.00 0.00 H new ATOM 1567 N ARG A 97 10.624 -0.359 -9.034 1.00 0.00 N ATOM 1568 CA ARG A 97 11.202 0.920 -9.387 1.00 0.00 C ATOM 1569 C ARG A 97 11.610 0.930 -10.858 1.00 0.00 C ATOM 1570 O ARG A 97 11.417 1.922 -11.552 1.00 0.00 O ATOM 1571 CB ARG A 97 12.411 1.227 -8.485 1.00 0.00 C ATOM 1572 CG ARG A 97 13.454 0.105 -8.417 1.00 0.00 C ATOM 1573 CD ARG A 97 13.410 -0.699 -7.109 1.00 0.00 C ATOM 1574 NE ARG A 97 14.147 -0.037 -6.030 1.00 0.00 N ATOM 1575 CZ ARG A 97 14.585 -0.667 -4.931 1.00 0.00 C ATOM 1576 NH1 ARG A 97 14.170 -1.900 -4.642 1.00 0.00 N ATOM 1577 NH2 ARG A 97 15.405 -0.037 -4.097 1.00 0.00 N ATOM 0 H ARG A 97 11.305 -1.109 -8.917 1.00 0.00 H new ATOM 0 HA ARG A 97 10.453 1.697 -9.234 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.895 2.135 -8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.053 1.435 -7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.300 -0.574 -9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.448 0.537 -8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.373 -0.840 -6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.830 -1.690 -7.279 1.00 0.00 H new ATOM 0 HE ARG A 97 14.338 0.961 -6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.512 -2.375 -5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.510 -2.369 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.697 0.920 -4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.742 -0.510 -3.259 1.00 0.00 H new ATOM 1591 N ASP A 98 12.177 -0.177 -11.324 1.00 0.00 N ATOM 1592 CA ASP A 98 12.574 -0.304 -12.724 1.00 0.00 C ATOM 1593 C ASP A 98 12.135 -1.653 -13.264 1.00 0.00 C ATOM 1594 O ASP A 98 12.194 -1.906 -14.464 1.00 0.00 O ATOM 1595 CB ASP A 98 14.096 -0.197 -12.885 1.00 0.00 C ATOM 1596 CG ASP A 98 14.695 0.999 -12.177 1.00 0.00 C ATOM 1597 OD1 ASP A 98 14.576 2.129 -12.694 1.00 0.00 O ATOM 1598 OD2 ASP A 98 15.303 0.803 -11.103 1.00 0.00 O ATOM 0 H ASP A 98 12.373 -1.000 -10.754 1.00 0.00 H new ATOM 0 HA ASP A 98 12.097 0.506 -13.275 1.00 0.00 H new ATOM 0 HB2 ASP A 98 14.559 -1.106 -12.501 1.00 0.00 H new ATOM 0 HB3 ASP A 98 14.338 -0.140 -13.946 1.00 0.00 H new ATOM 1603 N MET A 99 11.730 -2.526 -12.354 1.00 0.00 N ATOM 1604 CA MET A 99 11.375 -3.897 -12.692 1.00 0.00 C ATOM 1605 C MET A 99 9.953 -3.974 -13.230 1.00 0.00 C ATOM 1606 CB MET A 99 11.505 -4.776 -11.449 1.00 0.00 C ATOM 1607 CG MET A 99 12.844 -4.649 -10.747 1.00 0.00 C ATOM 1608 SD MET A 99 12.838 -5.430 -9.123 1.00 0.00 S ATOM 1609 CE MET A 99 14.525 -5.134 -8.595 1.00 0.00 C ATOM 0 H MET A 99 11.638 -2.305 -11.362 1.00 0.00 H new ATOM 0 HA MET A 99 12.054 -4.251 -13.468 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.712 -4.517 -10.748 1.00 0.00 H new ATOM 0 HB3 MET A 99 11.352 -5.817 -11.734 1.00 0.00 H new ATOM 0 HG2 MET A 99 13.620 -5.103 -11.364 1.00 0.00 H new ATOM 0 HG3 MET A 99 13.098 -3.594 -10.640 1.00 0.00 H new ATOM 0 HE1 MET A 99 14.676 -5.561 -7.603 1.00 0.00 H new ATOM 0 HE2 MET A 99 15.214 -5.600 -9.299 1.00 0.00 H new ATOM 0 HE3 MET A 99 14.713 -4.061 -8.561 1.00 0.00 H new TER 1619 MET A 99