USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1025 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 NoAdj-H: A 22 HIS HD1 : A 22 HIS ND1 : A 139 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 138 ZNZN :(H bumps) USER MOD NoAdj-H: A 50 HIS HE2 : A 50 HIS NE2 : A 138 ZNZN :(H bumps) USER MOD NoAdj-H: A 101 HIS HD1 : A 101 HIS ND1 : A 141 ZNZN :(H bumps) USER MOD NoAdj-H: A 118 HIS HD1 : A 118 HIS ND1 : A 142 ZNZN :(H bumps) USER MOD NoAdj-H: A 134 HIS HD1 : A 134 HIS ND1 : A 143 ZNZN :(H bumps) USER MOD Set 1.1: A 64 ASN : amide:sc= 0.255 K(o=0.49,f=-0.34) USER MOD Set 1.2: A 80 THR OG1 : rot 78:sc= 0.238! USER MOD Set 2.1: A 36 LYS NZ :NH3+ -137:sc= 0.749 (180deg=0.176) USER MOD Set 2.2: A 38 TYR OH : rot -146:sc= 0.865 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.05 (180deg=0.486) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 165:sc= -0.841! USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= 0.425 (180deg=0.133) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0946 USER MOD Single : A 46 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.031) USER MOD Single : A 47 ASN : amide:sc= 0.502 K(o=0.5,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc=-0.00155 (180deg=-0.0758) USER MOD Single : A 61 GLN : amide:sc= -2.01 K(o=-2,f=-3.6) USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 0.337 (180deg=0.209) USER MOD Single : A 69 GLN : amide:sc= -0.722 K(o=-0.72,f=-4.3!) USER MOD Single : A 70 HIS : no HE2:sc= 0.28 K(o=0.28,f=-1.1) USER MOD Single : A 72 GLN : amide:sc= 0.58 K(o=0.58,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -178:sc= 0.418 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.866 K(o=-0.87,f=-1.6) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -170:sc= -0.0202 (180deg=-0.13) USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= 0.515 (180deg=0.449) USER MOD Single : A 99 GLN : amide:sc= 0.618 K(o=0.62,f=-5.3!) USER MOD Single : A 100 TYR OH : rot 138:sc= 0.337 USER MOD Single : A 104 ASN : amide:sc= -0.202 K(o=-0.2,f=0.4) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.7 K(o=-0.7,f=0) USER MOD Single : A 128 MET CE :methyl 161:sc= -0.164 (180deg=-0.565) USER MOD Single : A 129 ASN : amide:sc= -0.0113 X(o=-0.011,f=0.18) USER MOD Single : A 131 GLN : amide:sc= -0.893 K(o=-0.89,f=-3.2!) USER MOD Single : A 135 LYS NZ :NH3+ -123:sc= 0.339 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.777 21.915 -56.067 1.00 0.00 N ATOM 2 CA MET A 1 2.686 20.450 -55.862 1.00 0.00 C ATOM 3 C MET A 1 3.739 20.012 -54.826 1.00 0.00 C ATOM 4 O MET A 1 4.726 19.340 -55.159 1.00 0.00 O ATOM 5 CB MET A 1 2.857 19.692 -57.214 1.00 0.00 C ATOM 6 CG MET A 1 1.809 20.035 -58.287 1.00 0.00 C ATOM 7 SD MET A 1 1.926 21.752 -58.851 1.00 0.00 S ATOM 8 CE MET A 1 0.542 21.868 -59.986 1.00 0.00 C ATOM 0 H1 MET A 1 2.204 22.186 -56.892 1.00 0.00 H new ATOM 0 H2 MET A 1 2.422 22.406 -55.222 1.00 0.00 H new ATOM 0 H3 MET A 1 3.769 22.182 -56.231 1.00 0.00 H new ATOM 0 HA MET A 1 1.698 20.198 -55.477 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.848 19.909 -57.613 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.819 18.620 -57.020 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.935 19.367 -59.139 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.812 19.855 -57.886 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.498 22.873 -60.405 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.670 21.145 -60.791 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.385 21.656 -59.453 1.00 0.00 H new ATOM 20 N ALA A 2 3.530 20.446 -53.565 1.00 0.00 N ATOM 21 CA ALA A 2 4.450 20.177 -52.432 1.00 0.00 C ATOM 22 C ALA A 2 3.779 20.495 -51.077 1.00 0.00 C ATOM 23 O ALA A 2 4.454 20.530 -50.042 1.00 0.00 O ATOM 24 CB ALA A 2 5.758 20.992 -52.590 1.00 0.00 C ATOM 0 H ALA A 2 2.714 20.997 -53.299 1.00 0.00 H new ATOM 0 HA ALA A 2 4.694 19.115 -52.445 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.421 20.783 -51.750 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.251 20.712 -53.521 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.523 22.056 -52.610 1.00 0.00 H new ATOM 30 N ALA A 3 2.446 20.698 -51.093 1.00 0.00 N ATOM 31 CA ALA A 3 1.672 21.135 -49.916 1.00 0.00 C ATOM 32 C ALA A 3 1.575 20.014 -48.854 1.00 0.00 C ATOM 33 O ALA A 3 0.842 19.029 -49.039 1.00 0.00 O ATOM 34 CB ALA A 3 0.275 21.609 -50.358 1.00 0.00 C ATOM 0 H ALA A 3 1.875 20.562 -51.927 1.00 0.00 H new ATOM 0 HA ALA A 3 2.193 21.970 -49.449 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.293 21.931 -49.485 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.377 22.443 -51.053 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.249 20.789 -50.850 1.00 0.00 H new ATOM 40 N THR A 4 2.357 20.161 -47.769 1.00 0.00 N ATOM 41 CA THR A 4 2.372 19.217 -46.645 1.00 0.00 C ATOM 42 C THR A 4 1.187 19.503 -45.691 1.00 0.00 C ATOM 43 O THR A 4 1.155 20.547 -45.030 1.00 0.00 O ATOM 44 CB THR A 4 3.730 19.313 -45.872 1.00 0.00 C ATOM 45 OG1 THR A 4 4.824 19.193 -46.795 1.00 0.00 O ATOM 46 CG2 THR A 4 3.868 18.223 -44.790 1.00 0.00 C ATOM 0 H THR A 4 2.999 20.945 -47.650 1.00 0.00 H new ATOM 0 HA THR A 4 2.268 18.205 -47.037 1.00 0.00 H new ATOM 0 HB THR A 4 3.749 20.284 -45.377 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.672 19.255 -46.307 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.827 18.333 -44.283 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.060 18.325 -44.065 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.815 17.239 -45.256 1.00 0.00 H new ATOM 54 N ALA A 5 0.213 18.578 -45.656 1.00 0.00 N ATOM 55 CA ALA A 5 -0.964 18.671 -44.776 1.00 0.00 C ATOM 56 C ALA A 5 -0.568 18.507 -43.293 1.00 0.00 C ATOM 57 O ALA A 5 0.388 17.788 -42.974 1.00 0.00 O ATOM 58 CB ALA A 5 -2.011 17.629 -45.193 1.00 0.00 C ATOM 0 H ALA A 5 0.220 17.742 -46.240 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.401 19.664 -44.883 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.879 17.703 -44.538 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.317 17.813 -46.223 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.582 16.630 -45.115 1.00 0.00 H new ATOM 64 N ARG A 6 -1.324 19.168 -42.398 1.00 0.00 N ATOM 65 CA ARG A 6 -1.029 19.198 -40.945 1.00 0.00 C ATOM 66 C ARG A 6 -2.330 19.131 -40.119 1.00 0.00 C ATOM 67 O ARG A 6 -3.416 19.021 -40.690 1.00 0.00 O ATOM 68 CB ARG A 6 -0.196 20.471 -40.564 1.00 0.00 C ATOM 69 CG ARG A 6 -0.947 21.831 -40.626 1.00 0.00 C ATOM 70 CD ARG A 6 -1.293 22.301 -42.052 1.00 0.00 C ATOM 71 NE ARG A 6 -0.086 22.519 -42.876 1.00 0.00 N ATOM 72 CZ ARG A 6 -0.010 23.326 -43.948 1.00 0.00 C ATOM 73 NH1 ARG A 6 -1.078 23.971 -44.400 1.00 0.00 N ATOM 74 NH2 ARG A 6 1.141 23.453 -44.594 1.00 0.00 N ATOM 0 H ARG A 6 -2.157 19.697 -42.656 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.429 18.320 -40.709 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.188 20.338 -39.553 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.667 20.526 -41.228 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.868 21.750 -40.049 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.335 22.593 -40.144 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.930 21.559 -42.533 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.866 23.226 -41.999 1.00 0.00 H new ATOM 0 HE ARG A 6 0.760 22.015 -42.609 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.977 23.859 -43.932 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.999 24.579 -45.215 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.963 22.940 -44.277 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.204 24.064 -45.408 1.00 0.00 H new ATOM 88 N GLU A 7 -2.182 19.185 -38.769 1.00 0.00 N ATOM 89 CA GLU A 7 -3.300 19.194 -37.796 1.00 0.00 C ATOM 90 C GLU A 7 -4.103 17.874 -37.858 1.00 0.00 C ATOM 91 O GLU A 7 -4.917 17.663 -38.769 1.00 0.00 O ATOM 92 CB GLU A 7 -4.234 20.429 -38.005 1.00 0.00 C ATOM 93 CG GLU A 7 -5.435 20.506 -37.032 1.00 0.00 C ATOM 94 CD GLU A 7 -6.418 21.639 -37.369 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.184 21.495 -38.344 1.00 0.00 O ATOM 96 OE2 GLU A 7 -6.422 22.678 -36.672 1.00 0.00 O ATOM 0 H GLU A 7 -1.266 19.224 -38.322 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.865 19.277 -36.800 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.641 21.337 -37.900 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.613 20.412 -39.027 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.968 19.555 -37.047 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.063 20.647 -36.017 1.00 0.00 H new ATOM 103 N ASP A 8 -3.876 16.993 -36.871 1.00 0.00 N ATOM 104 CA ASP A 8 -4.566 15.684 -36.768 1.00 0.00 C ATOM 105 C ASP A 8 -5.892 15.819 -35.978 1.00 0.00 C ATOM 106 O ASP A 8 -6.382 14.845 -35.383 1.00 0.00 O ATOM 107 CB ASP A 8 -3.610 14.652 -36.099 1.00 0.00 C ATOM 108 CG ASP A 8 -2.317 14.420 -36.907 1.00 0.00 C ATOM 109 OD1 ASP A 8 -1.347 15.196 -36.738 1.00 0.00 O ATOM 110 OD2 ASP A 8 -2.268 13.475 -37.727 1.00 0.00 O ATOM 0 H ASP A 8 -3.209 17.162 -36.118 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.822 15.331 -37.767 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.350 15.000 -35.099 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.133 13.703 -35.980 1.00 0.00 H new ATOM 115 N GLY A 9 -6.487 17.030 -36.030 1.00 0.00 N ATOM 116 CA GLY A 9 -7.713 17.347 -35.306 1.00 0.00 C ATOM 117 C GLY A 9 -7.488 17.450 -33.805 1.00 0.00 C ATOM 118 O GLY A 9 -6.602 18.186 -33.354 1.00 0.00 O ATOM 0 H GLY A 9 -6.122 17.808 -36.579 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.117 18.289 -35.676 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.460 16.579 -35.507 1.00 0.00 H new ATOM 122 N ALA A 10 -8.275 16.684 -33.042 1.00 0.00 N ATOM 123 CA ALA A 10 -8.194 16.611 -31.575 1.00 0.00 C ATOM 124 C ALA A 10 -8.372 15.155 -31.126 1.00 0.00 C ATOM 125 O ALA A 10 -9.023 14.363 -31.821 1.00 0.00 O ATOM 126 CB ALA A 10 -9.254 17.520 -30.925 1.00 0.00 C ATOM 0 H ALA A 10 -9.002 16.084 -33.433 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.214 16.964 -31.253 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.177 17.451 -29.840 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.089 18.552 -31.236 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.248 17.202 -31.239 1.00 0.00 H new ATOM 132 N THR A 11 -7.786 14.811 -29.971 1.00 0.00 N ATOM 133 CA THR A 11 -7.865 13.457 -29.397 1.00 0.00 C ATOM 134 C THR A 11 -7.518 13.498 -27.902 1.00 0.00 C ATOM 135 O THR A 11 -6.794 14.394 -27.445 1.00 0.00 O ATOM 136 CB THR A 11 -6.927 12.446 -30.153 1.00 0.00 C ATOM 137 OG1 THR A 11 -7.055 11.125 -29.594 1.00 0.00 O ATOM 138 CG2 THR A 11 -5.448 12.883 -30.128 1.00 0.00 C ATOM 0 H THR A 11 -7.242 15.464 -29.406 1.00 0.00 H new ATOM 0 HA THR A 11 -8.889 13.103 -29.518 1.00 0.00 H new ATOM 0 HB THR A 11 -7.249 12.436 -31.194 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.467 10.507 -30.076 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.843 12.151 -30.663 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.348 13.857 -30.608 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.106 12.950 -29.095 1.00 0.00 H new ATOM 146 N GLY A 12 -8.065 12.536 -27.149 1.00 0.00 N ATOM 147 CA GLY A 12 -7.806 12.411 -25.720 1.00 0.00 C ATOM 148 C GLY A 12 -8.955 11.721 -25.011 1.00 0.00 C ATOM 149 O GLY A 12 -9.437 10.688 -25.488 1.00 0.00 O ATOM 0 H GLY A 12 -8.698 11.826 -27.518 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.887 11.846 -25.563 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.651 13.400 -25.288 1.00 0.00 H new ATOM 153 N GLU A 13 -9.397 12.321 -23.893 1.00 0.00 N ATOM 154 CA GLU A 13 -10.455 11.795 -23.012 1.00 0.00 C ATOM 155 C GLU A 13 -10.071 10.407 -22.443 1.00 0.00 C ATOM 156 O GLU A 13 -10.456 9.356 -22.972 1.00 0.00 O ATOM 157 CB GLU A 13 -11.859 11.800 -23.709 1.00 0.00 C ATOM 158 CG GLU A 13 -13.046 11.363 -22.815 1.00 0.00 C ATOM 159 CD GLU A 13 -13.127 12.132 -21.483 1.00 0.00 C ATOM 160 OE1 GLU A 13 -13.644 13.271 -21.458 1.00 0.00 O ATOM 161 OE2 GLU A 13 -12.664 11.597 -20.452 1.00 0.00 O ATOM 0 H GLU A 13 -9.018 13.210 -23.568 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.543 12.471 -22.161 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.057 12.805 -24.081 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.818 11.141 -24.576 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.976 11.505 -23.365 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.960 10.297 -22.605 1.00 0.00 H new ATOM 168 N GLU A 14 -9.242 10.445 -21.396 1.00 0.00 N ATOM 169 CA GLU A 14 -8.864 9.273 -20.600 1.00 0.00 C ATOM 170 C GLU A 14 -8.591 9.750 -19.170 1.00 0.00 C ATOM 171 O GLU A 14 -7.589 10.429 -18.915 1.00 0.00 O ATOM 172 CB GLU A 14 -7.624 8.548 -21.191 1.00 0.00 C ATOM 173 CG GLU A 14 -7.224 7.262 -20.430 1.00 0.00 C ATOM 174 CD GLU A 14 -5.968 6.586 -20.994 1.00 0.00 C ATOM 175 OE1 GLU A 14 -4.851 6.946 -20.567 1.00 0.00 O ATOM 176 OE2 GLU A 14 -6.089 5.703 -21.871 1.00 0.00 O ATOM 0 H GLU A 14 -8.806 11.308 -21.071 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.676 8.546 -20.611 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.826 8.294 -22.231 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.779 9.236 -21.190 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.056 7.507 -19.381 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.054 6.556 -20.464 1.00 0.00 H new ATOM 183 N ARG A 15 -9.523 9.439 -18.256 1.00 0.00 N ATOM 184 CA ARG A 15 -9.454 9.866 -16.849 1.00 0.00 C ATOM 185 C ARG A 15 -9.251 8.631 -15.963 1.00 0.00 C ATOM 186 O ARG A 15 -10.144 7.780 -15.867 1.00 0.00 O ATOM 187 CB ARG A 15 -10.756 10.626 -16.463 1.00 0.00 C ATOM 188 CG ARG A 15 -11.098 11.795 -17.414 1.00 0.00 C ATOM 189 CD ARG A 15 -12.392 12.542 -17.044 1.00 0.00 C ATOM 190 NE ARG A 15 -12.810 13.441 -18.138 1.00 0.00 N ATOM 191 CZ ARG A 15 -13.565 14.542 -18.013 1.00 0.00 C ATOM 192 NH1 ARG A 15 -13.962 14.977 -16.822 1.00 0.00 N ATOM 193 NH2 ARG A 15 -13.909 15.213 -19.101 1.00 0.00 N ATOM 0 H ARG A 15 -10.349 8.882 -18.473 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.614 10.545 -16.704 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -11.588 9.922 -16.453 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.654 11.012 -15.449 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.269 12.503 -17.416 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -11.190 11.409 -18.429 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -13.185 11.824 -16.835 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -12.236 13.119 -16.133 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.495 13.202 -19.078 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.693 14.471 -15.978 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.536 15.817 -16.751 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.600 14.891 -20.018 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.483 16.052 -19.022 1.00 0.00 H new ATOM 207 N GLY A 16 -8.055 8.530 -15.357 1.00 0.00 N ATOM 208 CA GLY A 16 -7.723 7.434 -14.450 1.00 0.00 C ATOM 209 C GLY A 16 -8.455 7.561 -13.118 1.00 0.00 C ATOM 210 O GLY A 16 -8.641 8.682 -12.613 1.00 0.00 O ATOM 0 H GLY A 16 -7.301 9.204 -15.485 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.981 6.484 -14.918 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.647 7.421 -14.274 1.00 0.00 H new ATOM 214 N GLN A 17 -8.868 6.418 -12.546 1.00 0.00 N ATOM 215 CA GLN A 17 -9.599 6.385 -11.274 1.00 0.00 C ATOM 216 C GLN A 17 -8.625 6.594 -10.099 1.00 0.00 C ATOM 217 O GLN A 17 -7.807 5.708 -9.800 1.00 0.00 O ATOM 218 CB GLN A 17 -10.374 5.044 -11.113 1.00 0.00 C ATOM 219 CG GLN A 17 -11.202 4.941 -9.810 1.00 0.00 C ATOM 220 CD GLN A 17 -11.985 3.630 -9.656 1.00 0.00 C ATOM 221 OE1 GLN A 17 -11.599 2.583 -10.174 1.00 0.00 O ATOM 222 NE2 GLN A 17 -13.094 3.679 -8.933 1.00 0.00 N ATOM 0 H GLN A 17 -8.704 5.497 -12.952 1.00 0.00 H new ATOM 0 HA GLN A 17 -10.328 7.195 -11.273 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.042 4.919 -11.965 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.661 4.220 -11.143 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.531 5.051 -8.958 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.903 5.775 -9.773 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.391 4.560 -8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.650 2.835 -8.795 1.00 0.00 H new ATOM 231 N ARG A 18 -8.677 7.795 -9.479 1.00 0.00 N ATOM 232 CA ARG A 18 -7.975 8.057 -8.211 1.00 0.00 C ATOM 233 C ARG A 18 -8.765 7.393 -7.078 1.00 0.00 C ATOM 234 O ARG A 18 -9.901 7.777 -6.772 1.00 0.00 O ATOM 235 CB ARG A 18 -7.683 9.574 -7.939 1.00 0.00 C ATOM 236 CG ARG A 18 -8.888 10.551 -7.946 1.00 0.00 C ATOM 237 CD ARG A 18 -9.330 10.949 -9.361 1.00 0.00 C ATOM 238 NE ARG A 18 -10.467 11.893 -9.335 1.00 0.00 N ATOM 239 CZ ARG A 18 -10.701 12.861 -10.243 1.00 0.00 C ATOM 240 NH1 ARG A 18 -9.882 13.052 -11.270 1.00 0.00 N ATOM 241 NH2 ARG A 18 -11.770 13.636 -10.117 1.00 0.00 N ATOM 0 H ARG A 18 -9.198 8.594 -9.839 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.980 7.617 -8.275 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.193 9.653 -6.969 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.968 9.918 -8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.727 10.088 -7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.624 11.449 -7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.492 11.404 -9.889 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.612 10.056 -9.919 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.130 11.804 -8.565 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.058 12.461 -11.382 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.076 13.790 -11.947 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.411 13.498 -9.335 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.951 14.370 -10.802 1.00 0.00 H new ATOM 255 N GLY A 19 -8.152 6.356 -6.507 1.00 0.00 N ATOM 256 CA GLY A 19 -8.824 5.441 -5.590 1.00 0.00 C ATOM 257 C GLY A 19 -9.216 4.140 -6.283 1.00 0.00 C ATOM 258 O GLY A 19 -9.100 4.023 -7.509 1.00 0.00 O ATOM 0 H GLY A 19 -7.171 6.128 -6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.168 5.222 -4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.715 5.921 -5.184 1.00 0.00 H new ATOM 262 N CYS A 20 -9.631 3.143 -5.489 1.00 0.00 N ATOM 263 CA CYS A 20 -10.142 1.855 -5.997 1.00 0.00 C ATOM 264 C CYS A 20 -10.944 1.149 -4.896 1.00 0.00 C ATOM 265 O CYS A 20 -10.799 1.476 -3.710 1.00 0.00 O ATOM 266 CB CYS A 20 -8.982 0.952 -6.489 1.00 0.00 C ATOM 267 SG CYS A 20 -9.503 -0.632 -7.248 1.00 0.00 S ATOM 0 H CYS A 20 -9.623 3.204 -4.471 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.795 2.049 -6.848 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.391 1.509 -7.216 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.327 0.735 -5.645 1.00 0.00 H new ATOM 272 N GLU A 21 -11.776 0.169 -5.305 1.00 0.00 N ATOM 273 CA GLU A 21 -12.558 -0.694 -4.386 1.00 0.00 C ATOM 274 C GLU A 21 -11.665 -1.399 -3.332 1.00 0.00 C ATOM 275 O GLU A 21 -12.100 -1.656 -2.204 1.00 0.00 O ATOM 276 CB GLU A 21 -13.344 -1.754 -5.206 1.00 0.00 C ATOM 277 CG GLU A 21 -12.458 -2.616 -6.136 1.00 0.00 C ATOM 278 CD GLU A 21 -13.221 -3.745 -6.843 1.00 0.00 C ATOM 279 OE1 GLU A 21 -13.929 -3.471 -7.835 1.00 0.00 O ATOM 280 OE2 GLU A 21 -13.112 -4.916 -6.415 1.00 0.00 O ATOM 0 H GLU A 21 -11.927 -0.050 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.250 -0.050 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.875 -2.410 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.098 -1.247 -5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.001 -1.972 -6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.646 -3.049 -5.551 1.00 0.00 H new ATOM 287 N HIS A 22 -10.416 -1.696 -3.728 1.00 0.00 N ATOM 288 CA HIS A 22 -9.435 -2.384 -2.877 1.00 0.00 C ATOM 289 C HIS A 22 -8.732 -1.377 -1.950 1.00 0.00 C ATOM 290 O HIS A 22 -8.710 -1.547 -0.728 1.00 0.00 O ATOM 291 CB HIS A 22 -8.394 -3.122 -3.762 1.00 0.00 C ATOM 292 CG HIS A 22 -9.003 -4.102 -4.726 1.00 0.00 C ATOM 293 ND1 HIS A 22 -8.866 -3.965 -6.090 1.00 0.00 N ATOM 294 CD2 HIS A 22 -9.759 -5.198 -4.475 1.00 0.00 C ATOM 295 CE1 HIS A 22 -9.541 -4.964 -6.624 1.00 0.00 C ATOM 296 NE2 HIS A 22 -10.096 -5.737 -5.685 1.00 0.00 N ATOM 0 H HIS A 22 -10.058 -1.463 -4.654 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.955 -3.116 -2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.820 -2.384 -4.323 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.692 -3.650 -3.117 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.042 -5.574 -3.503 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.634 -5.136 -7.686 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.663 -6.570 -5.842 1.00 0.00 H new ATOM 304 N TYR A 23 -8.146 -0.330 -2.568 1.00 0.00 N ATOM 305 CA TYR A 23 -7.381 0.720 -1.864 1.00 0.00 C ATOM 306 C TYR A 23 -7.764 2.072 -2.462 1.00 0.00 C ATOM 307 O TYR A 23 -7.536 2.301 -3.662 1.00 0.00 O ATOM 308 CB TYR A 23 -5.839 0.509 -2.026 1.00 0.00 C ATOM 309 CG TYR A 23 -5.353 -0.872 -1.571 1.00 0.00 C ATOM 310 CD1 TYR A 23 -5.050 -1.125 -0.237 1.00 0.00 C ATOM 311 CD2 TYR A 23 -5.250 -1.932 -2.476 1.00 0.00 C ATOM 312 CE1 TYR A 23 -4.666 -2.381 0.178 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.861 -3.185 -2.069 1.00 0.00 C ATOM 314 CZ TYR A 23 -4.574 -3.407 -0.733 1.00 0.00 C ATOM 315 OH TYR A 23 -4.205 -4.663 -0.304 1.00 0.00 O ATOM 0 H TYR A 23 -8.191 -0.189 -3.577 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.618 0.676 -0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.570 0.652 -3.073 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.315 1.275 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.117 -0.324 0.484 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.481 -1.762 -3.517 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.437 -2.560 1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.780 -3.990 -2.785 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.187 -5.277 -1.067 1.00 0.00 H new ATOM 325 N ASP A 24 -8.344 2.961 -1.644 1.00 0.00 N ATOM 326 CA ASP A 24 -8.647 4.332 -2.074 1.00 0.00 C ATOM 327 C ASP A 24 -7.426 5.208 -1.825 1.00 0.00 C ATOM 328 O ASP A 24 -7.264 5.814 -0.758 1.00 0.00 O ATOM 329 CB ASP A 24 -9.923 4.905 -1.404 1.00 0.00 C ATOM 330 CG ASP A 24 -11.220 4.360 -2.028 1.00 0.00 C ATOM 331 OD1 ASP A 24 -11.411 4.531 -3.254 1.00 0.00 O ATOM 332 OD2 ASP A 24 -12.051 3.775 -1.308 1.00 0.00 O ATOM 0 H ASP A 24 -8.612 2.755 -0.682 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.869 4.319 -3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.908 4.666 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.914 5.992 -1.486 1.00 0.00 H new ATOM 337 N ARG A 25 -6.531 5.190 -2.820 1.00 0.00 N ATOM 338 CA ARG A 25 -5.323 6.008 -2.854 1.00 0.00 C ATOM 339 C ARG A 25 -5.263 6.759 -4.188 1.00 0.00 C ATOM 340 O ARG A 25 -5.521 6.176 -5.256 1.00 0.00 O ATOM 341 CB ARG A 25 -4.051 5.135 -2.640 1.00 0.00 C ATOM 342 CG ARG A 25 -3.964 3.878 -3.532 1.00 0.00 C ATOM 343 CD ARG A 25 -2.646 3.105 -3.367 1.00 0.00 C ATOM 344 NE ARG A 25 -1.486 3.898 -3.827 1.00 0.00 N ATOM 345 CZ ARG A 25 -0.222 3.732 -3.412 1.00 0.00 C ATOM 346 NH1 ARG A 25 0.072 2.828 -2.481 1.00 0.00 N ATOM 347 NH2 ARG A 25 0.751 4.473 -3.936 1.00 0.00 N ATOM 0 H ARG A 25 -6.633 4.592 -3.640 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.355 6.732 -2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.171 5.752 -2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.013 4.824 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.797 3.216 -3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.076 4.173 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.511 2.836 -2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.697 2.174 -3.931 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.661 4.630 -4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.667 2.254 -2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.037 2.709 -2.172 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.535 5.166 -4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.713 4.348 -3.621 1.00 0.00 H new ATOM 361 N GLY A 26 -4.899 8.052 -4.121 1.00 0.00 N ATOM 362 CA GLY A 26 -4.839 8.918 -5.303 1.00 0.00 C ATOM 363 C GLY A 26 -3.549 8.775 -6.106 1.00 0.00 C ATOM 364 O GLY A 26 -3.109 9.741 -6.744 1.00 0.00 O ATOM 0 H GLY A 26 -4.641 8.519 -3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.686 8.692 -5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.947 9.956 -4.987 1.00 0.00 H new ATOM 368 N CYS A 27 -2.955 7.559 -6.099 1.00 0.00 N ATOM 369 CA CYS A 27 -1.701 7.254 -6.804 1.00 0.00 C ATOM 370 C CYS A 27 -1.623 5.765 -7.215 1.00 0.00 C ATOM 371 O CYS A 27 -2.152 4.889 -6.518 1.00 0.00 O ATOM 372 CB CYS A 27 -0.499 7.658 -5.943 1.00 0.00 C ATOM 373 SG CYS A 27 -0.379 9.443 -5.675 1.00 0.00 S ATOM 0 H CYS A 27 -3.341 6.759 -5.598 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.680 7.838 -7.724 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.567 7.156 -4.978 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.416 7.307 -6.421 1.00 0.00 H new ATOM 0 HG CYS A 27 0.453 9.681 -4.705 1.00 0.00 H new ATOM 379 N LEU A 28 -0.956 5.510 -8.358 1.00 0.00 N ATOM 380 CA LEU A 28 -0.748 4.160 -8.921 1.00 0.00 C ATOM 381 C LEU A 28 0.653 3.643 -8.524 1.00 0.00 C ATOM 382 O LEU A 28 1.613 4.388 -8.607 1.00 0.00 O ATOM 383 CB LEU A 28 -0.836 4.207 -10.475 1.00 0.00 C ATOM 384 CG LEU A 28 -2.133 4.818 -11.102 1.00 0.00 C ATOM 385 CD1 LEU A 28 -2.018 4.984 -12.628 1.00 0.00 C ATOM 386 CD2 LEU A 28 -3.381 4.002 -10.756 1.00 0.00 C ATOM 0 H LEU A 28 -0.540 6.248 -8.926 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.520 3.497 -8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.017 4.776 -10.844 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.727 3.189 -10.850 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.240 5.808 -10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.942 5.411 -13.018 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.185 5.647 -12.860 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.846 4.011 -13.088 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.256 4.464 -11.213 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.268 2.986 -11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.509 3.974 -9.674 1.00 0.00 H new ATOM 398 N LEU A 29 0.747 2.376 -8.103 1.00 0.00 N ATOM 399 CA LEU A 29 2.036 1.682 -7.842 1.00 0.00 C ATOM 400 C LEU A 29 2.778 1.423 -9.179 1.00 0.00 C ATOM 401 O LEU A 29 2.240 0.727 -10.057 1.00 0.00 O ATOM 402 CB LEU A 29 1.779 0.321 -7.122 1.00 0.00 C ATOM 403 CG LEU A 29 1.184 0.385 -5.675 1.00 0.00 C ATOM 404 CD1 LEU A 29 0.923 -1.035 -5.111 1.00 0.00 C ATOM 405 CD2 LEU A 29 2.094 1.201 -4.721 1.00 0.00 C ATOM 0 H LEU A 29 -0.070 1.790 -7.929 1.00 0.00 H new ATOM 0 HA LEU A 29 2.649 2.317 -7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.102 -0.268 -7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.723 -0.222 -7.077 1.00 0.00 H new ATOM 0 HG LEU A 29 0.226 0.902 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.510 -0.957 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.215 -1.558 -5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.860 -1.591 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.650 1.224 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.078 0.734 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.195 2.219 -5.097 1.00 0.00 H new ATOM 417 N LYS A 30 3.984 2.006 -9.343 1.00 0.00 N ATOM 418 CA LYS A 30 4.838 1.739 -10.517 1.00 0.00 C ATOM 419 C LYS A 30 5.632 0.442 -10.286 1.00 0.00 C ATOM 420 O LYS A 30 6.576 0.411 -9.480 1.00 0.00 O ATOM 421 CB LYS A 30 5.802 2.906 -10.814 1.00 0.00 C ATOM 422 CG LYS A 30 6.575 2.729 -12.129 1.00 0.00 C ATOM 423 CD LYS A 30 7.538 3.888 -12.419 1.00 0.00 C ATOM 424 CE LYS A 30 8.331 3.636 -13.695 1.00 0.00 C ATOM 425 NZ LYS A 30 9.394 4.655 -13.915 1.00 0.00 N ATOM 0 H LYS A 30 4.387 2.664 -8.677 1.00 0.00 H new ATOM 0 HA LYS A 30 4.189 1.630 -11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.235 3.836 -10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.512 3.001 -9.992 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.138 1.797 -12.090 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.866 2.639 -12.952 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.976 4.817 -12.514 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.223 4.014 -11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.785 2.646 -13.648 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.651 3.634 -14.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.164 4.238 -14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.995 5.468 -14.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.767 4.971 -12.997 1.00 0.00 H new ATOM 439 N ALA A 31 5.223 -0.612 -10.999 1.00 0.00 N ATOM 440 CA ALA A 31 5.801 -1.954 -10.890 1.00 0.00 C ATOM 441 C ALA A 31 7.047 -2.053 -11.781 1.00 0.00 C ATOM 442 O ALA A 31 6.888 -2.097 -12.989 1.00 0.00 O ATOM 443 CB ALA A 31 4.750 -3.002 -11.305 1.00 0.00 C ATOM 0 H ALA A 31 4.467 -0.555 -11.681 1.00 0.00 H new ATOM 0 HA ALA A 31 6.096 -2.145 -9.858 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.180 -4.000 -11.224 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.882 -2.926 -10.650 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.443 -2.822 -12.335 1.00 0.00 H new ATOM 449 N PRO A 32 8.302 -2.123 -11.208 1.00 0.00 N ATOM 450 CA PRO A 32 9.571 -2.105 -12.001 1.00 0.00 C ATOM 451 C PRO A 32 9.722 -3.343 -12.915 1.00 0.00 C ATOM 452 O PRO A 32 10.550 -3.350 -13.829 1.00 0.00 O ATOM 453 CB PRO A 32 10.673 -2.062 -10.903 1.00 0.00 C ATOM 454 CG PRO A 32 10.030 -2.703 -9.713 1.00 0.00 C ATOM 455 CD PRO A 32 8.585 -2.265 -9.758 1.00 0.00 C ATOM 0 HA PRO A 32 9.616 -1.263 -12.692 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.566 -2.604 -11.214 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.980 -1.039 -10.687 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.114 -3.789 -9.758 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.509 -2.384 -8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.929 -3.001 -9.293 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.435 -1.325 -9.227 1.00 0.00 H new ATOM 463 N CYS A 33 8.895 -4.371 -12.648 1.00 0.00 N ATOM 464 CA CYS A 33 8.838 -5.613 -13.432 1.00 0.00 C ATOM 465 C CYS A 33 8.308 -5.383 -14.868 1.00 0.00 C ATOM 466 O CYS A 33 8.528 -6.210 -15.756 1.00 0.00 O ATOM 467 CB CYS A 33 7.943 -6.611 -12.678 1.00 0.00 C ATOM 468 SG CYS A 33 6.343 -5.913 -12.158 1.00 0.00 S ATOM 0 H CYS A 33 8.238 -4.359 -11.868 1.00 0.00 H new ATOM 0 HA CYS A 33 9.849 -6.006 -13.541 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.762 -7.476 -13.316 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.476 -6.970 -11.798 1.00 0.00 H new ATOM 473 N CYS A 34 7.587 -4.267 -15.076 1.00 0.00 N ATOM 474 CA CYS A 34 7.038 -3.884 -16.403 1.00 0.00 C ATOM 475 C CYS A 34 6.930 -2.349 -16.564 1.00 0.00 C ATOM 476 O CYS A 34 6.457 -1.870 -17.598 1.00 0.00 O ATOM 477 CB CYS A 34 5.661 -4.567 -16.613 1.00 0.00 C ATOM 478 SG CYS A 34 4.502 -4.399 -15.208 1.00 0.00 S ATOM 0 H CYS A 34 7.365 -3.602 -14.335 1.00 0.00 H new ATOM 0 HA CYS A 34 7.729 -4.230 -17.171 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.194 -4.146 -17.504 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.823 -5.627 -16.808 1.00 0.00 H new ATOM 483 N ASP A 35 7.399 -1.598 -15.540 1.00 0.00 N ATOM 484 CA ASP A 35 7.311 -0.110 -15.449 1.00 0.00 C ATOM 485 C ASP A 35 5.860 0.420 -15.551 1.00 0.00 C ATOM 486 O ASP A 35 5.648 1.622 -15.740 1.00 0.00 O ATOM 487 CB ASP A 35 8.249 0.572 -16.492 1.00 0.00 C ATOM 488 CG ASP A 35 9.741 0.340 -16.190 1.00 0.00 C ATOM 489 OD1 ASP A 35 10.280 -0.729 -16.564 1.00 0.00 O ATOM 490 OD2 ASP A 35 10.376 1.203 -15.543 1.00 0.00 O ATOM 0 H ASP A 35 7.861 -2.014 -14.732 1.00 0.00 H new ATOM 0 HA ASP A 35 7.658 0.162 -14.452 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.020 0.188 -17.486 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.048 1.643 -16.509 1.00 0.00 H new ATOM 495 N LYS A 36 4.869 -0.473 -15.351 1.00 0.00 N ATOM 496 CA LYS A 36 3.438 -0.151 -15.536 1.00 0.00 C ATOM 497 C LYS A 36 2.783 0.287 -14.216 1.00 0.00 C ATOM 498 O LYS A 36 3.189 -0.130 -13.127 1.00 0.00 O ATOM 499 CB LYS A 36 2.680 -1.353 -16.157 1.00 0.00 C ATOM 500 CG LYS A 36 3.102 -1.704 -17.606 1.00 0.00 C ATOM 501 CD LYS A 36 2.192 -2.776 -18.255 1.00 0.00 C ATOM 502 CE LYS A 36 0.758 -2.277 -18.503 1.00 0.00 C ATOM 503 NZ LYS A 36 -0.118 -3.337 -19.071 1.00 0.00 N ATOM 0 H LYS A 36 5.037 -1.435 -15.057 1.00 0.00 H new ATOM 0 HA LYS A 36 3.375 0.689 -16.228 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.834 -2.228 -15.526 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.612 -1.137 -16.146 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.081 -0.800 -18.214 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.132 -2.062 -17.603 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.630 -3.091 -19.202 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.159 -3.655 -17.611 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.332 -1.921 -17.565 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.784 -1.427 -19.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.699 -2.935 -19.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.470 -4.106 -19.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.738 -3.712 -18.325 1.00 0.00 H new ATOM 517 N LEU A 37 1.728 1.103 -14.364 1.00 0.00 N ATOM 518 CA LEU A 37 1.103 1.870 -13.274 1.00 0.00 C ATOM 519 C LEU A 37 -0.276 1.267 -12.914 1.00 0.00 C ATOM 520 O LEU A 37 -1.167 1.220 -13.773 1.00 0.00 O ATOM 521 CB LEU A 37 0.937 3.356 -13.724 1.00 0.00 C ATOM 522 CG LEU A 37 2.231 4.215 -13.957 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.129 4.230 -12.712 1.00 0.00 C ATOM 524 CD2 LEU A 37 3.014 3.795 -15.222 1.00 0.00 C ATOM 0 H LEU A 37 1.275 1.252 -15.266 1.00 0.00 H new ATOM 0 HA LEU A 37 1.739 1.825 -12.390 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.364 3.360 -14.652 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.332 3.864 -12.974 1.00 0.00 H new ATOM 0 HG LEU A 37 1.893 5.236 -14.135 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.015 4.834 -12.910 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.580 4.656 -11.872 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.431 3.211 -12.469 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.897 4.425 -15.329 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.320 2.753 -15.131 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.377 3.911 -16.099 1.00 0.00 H new ATOM 536 N TYR A 38 -0.440 0.803 -11.648 1.00 0.00 N ATOM 537 CA TYR A 38 -1.701 0.188 -11.144 1.00 0.00 C ATOM 538 C TYR A 38 -1.922 0.550 -9.657 1.00 0.00 C ATOM 539 O TYR A 38 -1.006 0.385 -8.865 1.00 0.00 O ATOM 540 CB TYR A 38 -1.647 -1.357 -11.267 1.00 0.00 C ATOM 541 CG TYR A 38 -1.529 -1.916 -12.694 1.00 0.00 C ATOM 542 CD1 TYR A 38 -2.663 -2.137 -13.472 1.00 0.00 C ATOM 543 CD2 TYR A 38 -0.287 -2.278 -13.236 1.00 0.00 C ATOM 544 CE1 TYR A 38 -2.569 -2.699 -14.727 1.00 0.00 C ATOM 545 CE2 TYR A 38 -0.192 -2.828 -14.498 1.00 0.00 C ATOM 546 CZ TYR A 38 -1.337 -3.045 -15.235 1.00 0.00 C ATOM 547 OH TYR A 38 -1.256 -3.627 -16.478 1.00 0.00 O ATOM 0 H TYR A 38 0.298 0.844 -10.945 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.521 0.576 -11.749 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.799 -1.718 -10.685 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.546 -1.770 -10.810 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.633 -1.863 -13.085 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.611 -2.124 -12.656 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.461 -2.868 -15.312 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.774 -3.087 -14.906 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.518 -4.272 -16.490 1.00 0.00 H new ATOM 557 N THR A 39 -3.153 0.986 -9.288 1.00 0.00 N ATOM 558 CA THR A 39 -3.512 1.399 -7.899 1.00 0.00 C ATOM 559 C THR A 39 -3.217 0.277 -6.862 1.00 0.00 C ATOM 560 O THR A 39 -2.798 0.551 -5.727 1.00 0.00 O ATOM 561 CB THR A 39 -5.037 1.789 -7.806 1.00 0.00 C ATOM 562 OG1 THR A 39 -5.415 2.587 -8.935 1.00 0.00 O ATOM 563 CG2 THR A 39 -5.394 2.550 -6.515 1.00 0.00 C ATOM 0 H THR A 39 -3.930 1.063 -9.944 1.00 0.00 H new ATOM 0 HA THR A 39 -2.893 2.264 -7.663 1.00 0.00 H new ATOM 0 HB THR A 39 -5.589 0.849 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.364 2.821 -8.867 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.458 2.788 -6.515 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.161 1.929 -5.650 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.816 3.473 -6.465 1.00 0.00 H new ATOM 571 N CYS A 40 -3.429 -0.986 -7.279 1.00 0.00 N ATOM 572 CA CYS A 40 -3.264 -2.168 -6.405 1.00 0.00 C ATOM 573 C CYS A 40 -2.338 -3.199 -7.069 1.00 0.00 C ATOM 574 O CYS A 40 -2.212 -3.220 -8.301 1.00 0.00 O ATOM 575 CB CYS A 40 -4.631 -2.834 -6.140 1.00 0.00 C ATOM 576 SG CYS A 40 -6.039 -1.714 -5.976 1.00 0.00 S ATOM 0 H CYS A 40 -3.719 -1.218 -8.229 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.828 -1.833 -5.464 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.838 -3.529 -6.954 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.554 -3.425 -5.227 1.00 0.00 H new ATOM 581 N ARG A 41 -1.756 -4.094 -6.244 1.00 0.00 N ATOM 582 CA ARG A 41 -0.908 -5.199 -6.735 1.00 0.00 C ATOM 583 C ARG A 41 -1.747 -6.277 -7.464 1.00 0.00 C ATOM 584 O ARG A 41 -1.301 -6.826 -8.470 1.00 0.00 O ATOM 585 CB ARG A 41 -0.090 -5.836 -5.579 1.00 0.00 C ATOM 586 CG ARG A 41 -0.926 -6.408 -4.422 1.00 0.00 C ATOM 587 CD ARG A 41 -0.084 -7.161 -3.383 1.00 0.00 C ATOM 588 NE ARG A 41 0.620 -8.298 -4.000 1.00 0.00 N ATOM 589 CZ ARG A 41 0.495 -9.588 -3.660 1.00 0.00 C ATOM 590 NH1 ARG A 41 -0.298 -9.968 -2.666 1.00 0.00 N ATOM 591 NH2 ARG A 41 1.170 -10.494 -4.332 1.00 0.00 N ATOM 0 H ARG A 41 -1.859 -4.072 -5.229 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.208 -4.774 -7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.527 -6.635 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.589 -5.083 -5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.457 -5.594 -3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.681 -7.082 -4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.640 -6.481 -2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.727 -7.519 -2.579 1.00 0.00 H new ATOM 0 HE ARG A 41 1.265 -8.083 -4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.829 -9.272 -2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.377 -10.956 -2.426 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.778 -10.211 -5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.085 -11.480 -4.085 1.00 0.00 H new ATOM 605 N LEU A 42 -2.962 -6.575 -6.950 1.00 0.00 N ATOM 606 CA LEU A 42 -3.869 -7.559 -7.588 1.00 0.00 C ATOM 607 C LEU A 42 -4.488 -6.986 -8.877 1.00 0.00 C ATOM 608 O LEU A 42 -4.681 -7.722 -9.834 1.00 0.00 O ATOM 609 CB LEU A 42 -4.985 -8.091 -6.636 1.00 0.00 C ATOM 610 CG LEU A 42 -6.116 -7.101 -6.191 1.00 0.00 C ATOM 611 CD1 LEU A 42 -7.345 -7.870 -5.652 1.00 0.00 C ATOM 612 CD2 LEU A 42 -5.614 -6.092 -5.146 1.00 0.00 C ATOM 0 H LEU A 42 -3.336 -6.152 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.245 -8.417 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.461 -8.942 -7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.501 -8.470 -5.736 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.417 -6.540 -7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.115 -7.160 -5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.738 -8.521 -6.433 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.049 -8.472 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.428 -5.424 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.262 -6.627 -4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.796 -5.508 -5.568 1.00 0.00 H new ATOM 624 N CYS A 43 -4.766 -5.659 -8.895 1.00 0.00 N ATOM 625 CA CYS A 43 -5.249 -4.956 -10.114 1.00 0.00 C ATOM 626 C CYS A 43 -4.187 -5.020 -11.243 1.00 0.00 C ATOM 627 O CYS A 43 -4.531 -5.100 -12.422 1.00 0.00 O ATOM 628 CB CYS A 43 -5.676 -3.491 -9.790 1.00 0.00 C ATOM 629 SG CYS A 43 -7.425 -3.324 -9.266 1.00 0.00 S ATOM 0 H CYS A 43 -4.665 -5.053 -8.081 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.139 -5.471 -10.476 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.032 -3.102 -9.001 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.511 -2.872 -10.672 1.00 0.00 H new ATOM 634 N HIS A 44 -2.901 -5.013 -10.843 1.00 0.00 N ATOM 635 CA HIS A 44 -1.767 -5.319 -11.737 1.00 0.00 C ATOM 636 C HIS A 44 -1.859 -6.768 -12.235 1.00 0.00 C ATOM 637 O HIS A 44 -1.877 -7.017 -13.433 1.00 0.00 O ATOM 638 CB HIS A 44 -0.431 -5.061 -10.977 1.00 0.00 C ATOM 639 CG HIS A 44 0.811 -5.708 -11.560 1.00 0.00 C ATOM 640 ND1 HIS A 44 1.135 -7.027 -11.329 1.00 0.00 N ATOM 641 CD2 HIS A 44 1.846 -5.192 -12.296 1.00 0.00 C ATOM 642 CE1 HIS A 44 2.306 -7.274 -11.903 1.00 0.00 C ATOM 643 NE2 HIS A 44 2.791 -6.202 -12.497 1.00 0.00 N ATOM 0 H HIS A 44 -2.618 -4.794 -9.888 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.800 -4.669 -12.612 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.266 -3.985 -10.931 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.549 -5.410 -9.951 1.00 0.00 H new ATOM 0 HD1 HIS A 44 0.572 -7.698 -10.807 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.919 -4.177 -12.659 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.800 -8.234 -11.886 1.00 0.00 H new ATOM 651 N ASP A 45 -1.984 -7.690 -11.275 1.00 0.00 N ATOM 652 CA ASP A 45 -1.909 -9.151 -11.499 1.00 0.00 C ATOM 653 C ASP A 45 -3.049 -9.672 -12.413 1.00 0.00 C ATOM 654 O ASP A 45 -2.902 -10.711 -13.062 1.00 0.00 O ATOM 655 CB ASP A 45 -1.934 -9.849 -10.111 1.00 0.00 C ATOM 656 CG ASP A 45 -1.542 -11.334 -10.131 1.00 0.00 C ATOM 657 OD1 ASP A 45 -0.333 -11.632 -10.143 1.00 0.00 O ATOM 658 OD2 ASP A 45 -2.431 -12.209 -10.124 1.00 0.00 O ATOM 0 H ASP A 45 -2.144 -7.444 -10.298 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.983 -9.384 -12.025 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.258 -9.318 -9.441 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.936 -9.758 -9.692 1.00 0.00 H new ATOM 663 N ASN A 46 -4.178 -8.930 -12.453 1.00 0.00 N ATOM 664 CA ASN A 46 -5.345 -9.262 -13.304 1.00 0.00 C ATOM 665 C ASN A 46 -5.042 -9.012 -14.802 1.00 0.00 C ATOM 666 O ASN A 46 -5.548 -9.730 -15.671 1.00 0.00 O ATOM 667 CB ASN A 46 -6.599 -8.452 -12.858 1.00 0.00 C ATOM 668 CG ASN A 46 -7.075 -8.741 -11.419 1.00 0.00 C ATOM 669 OD1 ASN A 46 -7.588 -7.856 -10.735 1.00 0.00 O ATOM 670 ND2 ASN A 46 -6.923 -9.972 -10.947 1.00 0.00 N ATOM 0 H ASN A 46 -4.307 -8.085 -11.897 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.554 -10.324 -13.179 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.378 -7.388 -12.946 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.417 -8.666 -13.546 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.234 -10.198 -10.002 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.495 -10.692 -11.529 1.00 0.00 H new ATOM 677 N ASN A 47 -4.221 -7.979 -15.084 1.00 0.00 N ATOM 678 CA ASN A 47 -3.801 -7.622 -16.463 1.00 0.00 C ATOM 679 C ASN A 47 -2.547 -8.407 -16.883 1.00 0.00 C ATOM 680 O ASN A 47 -2.422 -8.844 -18.038 1.00 0.00 O ATOM 681 CB ASN A 47 -3.510 -6.099 -16.581 1.00 0.00 C ATOM 682 CG ASN A 47 -4.756 -5.226 -16.449 1.00 0.00 C ATOM 683 OD1 ASN A 47 -5.430 -4.934 -17.439 1.00 0.00 O ATOM 684 ND2 ASN A 47 -5.079 -4.805 -15.235 1.00 0.00 N ATOM 0 H ASN A 47 -3.829 -7.368 -14.367 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.625 -7.884 -17.127 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -2.794 -5.814 -15.811 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -3.038 -5.901 -17.544 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.905 -4.223 -15.100 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.501 -5.063 -14.435 1.00 0.00 H new ATOM 691 N GLU A 48 -1.629 -8.578 -15.925 1.00 0.00 N ATOM 692 CA GLU A 48 -0.272 -9.076 -16.176 1.00 0.00 C ATOM 693 C GLU A 48 -0.209 -10.607 -16.079 1.00 0.00 C ATOM 694 O GLU A 48 -1.039 -11.239 -15.414 1.00 0.00 O ATOM 695 CB GLU A 48 0.703 -8.440 -15.154 1.00 0.00 C ATOM 696 CG GLU A 48 0.780 -6.901 -15.211 1.00 0.00 C ATOM 697 CD GLU A 48 1.454 -6.352 -16.475 1.00 0.00 C ATOM 698 OE1 GLU A 48 2.696 -6.459 -16.574 1.00 0.00 O ATOM 699 OE2 GLU A 48 0.756 -5.795 -17.353 1.00 0.00 O ATOM 0 H GLU A 48 -1.810 -8.372 -14.942 1.00 0.00 H new ATOM 0 HA GLU A 48 0.016 -8.796 -17.189 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.401 -8.738 -14.150 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.700 -8.847 -15.322 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.229 -6.495 -15.146 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.325 -6.543 -14.337 1.00 0.00 H new ATOM 706 N ASP A 49 0.796 -11.173 -16.757 1.00 0.00 N ATOM 707 CA ASP A 49 1.135 -12.604 -16.694 1.00 0.00 C ATOM 708 C ASP A 49 1.805 -12.938 -15.345 1.00 0.00 C ATOM 709 O ASP A 49 1.623 -14.032 -14.809 1.00 0.00 O ATOM 710 CB ASP A 49 2.079 -12.956 -17.879 1.00 0.00 C ATOM 711 CG ASP A 49 2.573 -14.415 -17.879 1.00 0.00 C ATOM 712 OD1 ASP A 49 1.781 -15.315 -18.216 1.00 0.00 O ATOM 713 OD2 ASP A 49 3.751 -14.668 -17.537 1.00 0.00 O ATOM 0 H ASP A 49 1.409 -10.642 -17.376 1.00 0.00 H new ATOM 0 HA ASP A 49 0.225 -13.198 -16.772 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.557 -12.761 -18.816 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.943 -12.292 -17.851 1.00 0.00 H new ATOM 718 N HIS A 50 2.540 -11.959 -14.794 1.00 0.00 N ATOM 719 CA HIS A 50 3.406 -12.154 -13.606 1.00 0.00 C ATOM 720 C HIS A 50 2.811 -11.473 -12.345 1.00 0.00 C ATOM 721 O HIS A 50 1.815 -10.737 -12.432 1.00 0.00 O ATOM 722 CB HIS A 50 4.855 -11.658 -13.922 1.00 0.00 C ATOM 723 CG HIS A 50 5.002 -10.210 -14.357 1.00 0.00 C ATOM 724 ND1 HIS A 50 6.079 -9.726 -15.061 1.00 0.00 N ATOM 725 CD2 HIS A 50 4.229 -9.132 -14.105 1.00 0.00 C ATOM 726 CE1 HIS A 50 5.923 -8.397 -15.188 1.00 0.00 C ATOM 727 NE2 HIS A 50 4.808 -7.981 -14.611 1.00 0.00 N ATOM 0 H HIS A 50 2.555 -11.005 -15.156 1.00 0.00 H new ATOM 0 HA HIS A 50 3.455 -13.219 -13.377 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.468 -11.810 -13.033 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.268 -12.292 -14.706 1.00 0.00 H new ATOM 0 HD1 HIS A 50 6.858 -10.277 -15.422 1.00 0.00 H new ATOM 0 HD2 HIS A 50 3.286 -9.164 -13.579 1.00 0.00 H new ATOM 0 HE1 HIS A 50 6.621 -7.750 -15.698 1.00 0.00 H new ATOM 735 N GLN A 51 3.457 -11.711 -11.186 1.00 0.00 N ATOM 736 CA GLN A 51 3.001 -11.210 -9.864 1.00 0.00 C ATOM 737 C GLN A 51 3.734 -9.915 -9.455 1.00 0.00 C ATOM 738 O GLN A 51 4.897 -9.696 -9.825 1.00 0.00 O ATOM 739 CB GLN A 51 3.185 -12.307 -8.774 1.00 0.00 C ATOM 740 CG GLN A 51 4.626 -12.826 -8.613 1.00 0.00 C ATOM 741 CD GLN A 51 4.768 -13.930 -7.556 1.00 0.00 C ATOM 742 OE1 GLN A 51 5.057 -13.657 -6.392 1.00 0.00 O ATOM 743 NE2 GLN A 51 4.547 -15.177 -7.952 1.00 0.00 N ATOM 0 H GLN A 51 4.316 -12.259 -11.135 1.00 0.00 H new ATOM 0 HA GLN A 51 1.941 -10.972 -9.952 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.849 -11.908 -7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.536 -13.149 -9.014 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.975 -13.207 -9.573 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.275 -11.993 -8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.309 -15.368 -8.925 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.615 -15.944 -7.283 1.00 0.00 H new ATOM 752 N LEU A 52 3.008 -9.037 -8.739 1.00 0.00 N ATOM 753 CA LEU A 52 3.564 -7.834 -8.078 1.00 0.00 C ATOM 754 C LEU A 52 3.620 -8.119 -6.566 1.00 0.00 C ATOM 755 O LEU A 52 2.639 -8.577 -5.991 1.00 0.00 O ATOM 756 CB LEU A 52 2.655 -6.584 -8.389 1.00 0.00 C ATOM 757 CG LEU A 52 3.208 -5.133 -8.067 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.398 -4.047 -8.811 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.211 -4.807 -6.560 1.00 0.00 C ATOM 0 H LEU A 52 2.003 -9.142 -8.599 1.00 0.00 H new ATOM 0 HA LEU A 52 4.565 -7.610 -8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.406 -6.614 -9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.722 -6.710 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 52 4.241 -5.132 -8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.801 -3.063 -8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.467 -4.214 -9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.354 -4.097 -8.503 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.600 -3.801 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.194 -4.865 -6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.841 -5.524 -6.034 1.00 0.00 H new ATOM 771 N ASP A 53 4.778 -7.887 -5.939 1.00 0.00 N ATOM 772 CA ASP A 53 4.895 -7.812 -4.463 1.00 0.00 C ATOM 773 C ASP A 53 5.020 -6.333 -4.075 1.00 0.00 C ATOM 774 O ASP A 53 5.788 -5.596 -4.705 1.00 0.00 O ATOM 775 CB ASP A 53 6.105 -8.629 -3.952 1.00 0.00 C ATOM 776 CG ASP A 53 6.444 -8.355 -2.476 1.00 0.00 C ATOM 777 OD1 ASP A 53 5.566 -8.561 -1.612 1.00 0.00 O ATOM 778 OD2 ASP A 53 7.559 -7.884 -2.180 1.00 0.00 O ATOM 0 H ASP A 53 5.661 -7.745 -6.429 1.00 0.00 H new ATOM 0 HA ASP A 53 4.010 -8.246 -3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.897 -9.691 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.976 -8.399 -4.566 1.00 0.00 H new ATOM 783 N ARG A 54 4.260 -5.902 -3.048 1.00 0.00 N ATOM 784 CA ARG A 54 4.094 -4.466 -2.724 1.00 0.00 C ATOM 785 C ARG A 54 5.398 -3.802 -2.219 1.00 0.00 C ATOM 786 O ARG A 54 5.482 -2.578 -2.166 1.00 0.00 O ATOM 787 CB ARG A 54 2.936 -4.242 -1.707 1.00 0.00 C ATOM 788 CG ARG A 54 3.188 -4.736 -0.243 1.00 0.00 C ATOM 789 CD ARG A 54 2.425 -6.014 0.140 1.00 0.00 C ATOM 790 NE ARG A 54 2.950 -7.230 -0.514 1.00 0.00 N ATOM 791 CZ ARG A 54 2.259 -8.374 -0.663 1.00 0.00 C ATOM 792 NH1 ARG A 54 0.990 -8.465 -0.275 1.00 0.00 N ATOM 793 NH2 ARG A 54 2.844 -9.428 -1.204 1.00 0.00 N ATOM 0 H ARG A 54 3.749 -6.528 -2.426 1.00 0.00 H new ATOM 0 HA ARG A 54 3.834 -3.977 -3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.712 -3.176 -1.674 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.046 -4.743 -2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.256 -4.912 -0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.909 -3.941 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.469 -6.144 1.221 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.374 -5.894 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 54 3.902 -7.200 -0.878 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.526 -7.659 0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.481 -9.341 -0.396 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.816 -9.372 -1.507 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.323 -10.298 -1.319 1.00 0.00 H new ATOM 807 N PHE A 55 6.408 -4.608 -1.861 1.00 0.00 N ATOM 808 CA PHE A 55 7.715 -4.101 -1.386 1.00 0.00 C ATOM 809 C PHE A 55 8.678 -3.833 -2.567 1.00 0.00 C ATOM 810 O PHE A 55 9.678 -3.121 -2.407 1.00 0.00 O ATOM 811 CB PHE A 55 8.348 -5.108 -0.395 1.00 0.00 C ATOM 812 CG PHE A 55 7.485 -5.414 0.838 1.00 0.00 C ATOM 813 CD1 PHE A 55 6.479 -6.380 0.790 1.00 0.00 C ATOM 814 CD2 PHE A 55 7.677 -4.732 2.038 1.00 0.00 C ATOM 815 CE1 PHE A 55 5.699 -6.654 1.896 1.00 0.00 C ATOM 816 CE2 PHE A 55 6.896 -5.010 3.143 1.00 0.00 C ATOM 817 CZ PHE A 55 5.906 -5.966 3.072 1.00 0.00 C ATOM 0 H PHE A 55 6.348 -5.626 -1.890 1.00 0.00 H new ATOM 0 HA PHE A 55 7.544 -3.154 -0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.549 -6.040 -0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.309 -4.716 -0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.308 -6.923 -0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.446 -3.977 2.105 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.927 -7.407 1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.062 -4.476 4.067 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.293 -6.176 3.936 1.00 0.00 H new ATOM 827 N LYS A 56 8.366 -4.406 -3.751 1.00 0.00 N ATOM 828 CA LYS A 56 9.244 -4.326 -4.943 1.00 0.00 C ATOM 829 C LYS A 56 9.075 -3.005 -5.713 1.00 0.00 C ATOM 830 O LYS A 56 10.035 -2.547 -6.353 1.00 0.00 O ATOM 831 CB LYS A 56 8.985 -5.513 -5.916 1.00 0.00 C ATOM 832 CG LYS A 56 9.025 -6.916 -5.272 1.00 0.00 C ATOM 833 CD LYS A 56 10.309 -7.220 -4.467 1.00 0.00 C ATOM 834 CE LYS A 56 11.581 -7.231 -5.326 1.00 0.00 C ATOM 835 NZ LYS A 56 12.789 -7.519 -4.509 1.00 0.00 N ATOM 0 H LYS A 56 7.507 -4.933 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 56 10.265 -4.376 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.010 -5.373 -6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.727 -5.476 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.164 -7.022 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.919 -7.665 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.419 -6.476 -3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.201 -8.188 -3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.484 -7.981 -6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.696 -6.266 -5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.630 -7.519 -5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.894 -6.789 -3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.689 -8.451 -4.058 1.00 0.00 H new ATOM 849 N VAL A 57 7.853 -2.421 -5.680 1.00 0.00 N ATOM 850 CA VAL A 57 7.532 -1.198 -6.452 1.00 0.00 C ATOM 851 C VAL A 57 8.469 -0.026 -6.074 1.00 0.00 C ATOM 852 O VAL A 57 8.489 0.436 -4.939 1.00 0.00 O ATOM 853 CB VAL A 57 6.010 -0.785 -6.350 1.00 0.00 C ATOM 854 CG1 VAL A 57 5.127 -1.757 -7.158 1.00 0.00 C ATOM 855 CG2 VAL A 57 5.530 -0.712 -4.891 1.00 0.00 C ATOM 0 H VAL A 57 7.074 -2.778 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 57 7.710 -1.442 -7.499 1.00 0.00 H new ATOM 0 HB VAL A 57 5.917 0.214 -6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.083 -1.455 -7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.428 -1.737 -8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.245 -2.767 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.479 -0.425 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.650 -1.687 -4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.120 0.028 -4.350 1.00 0.00 H new ATOM 865 N LYS A 58 9.285 0.393 -7.048 1.00 0.00 N ATOM 866 CA LYS A 58 10.348 1.393 -6.849 1.00 0.00 C ATOM 867 C LYS A 58 9.765 2.800 -6.773 1.00 0.00 C ATOM 868 O LYS A 58 10.248 3.658 -6.018 1.00 0.00 O ATOM 869 CB LYS A 58 11.362 1.295 -8.024 1.00 0.00 C ATOM 870 CG LYS A 58 12.654 2.139 -7.862 1.00 0.00 C ATOM 871 CD LYS A 58 13.608 1.576 -6.778 1.00 0.00 C ATOM 872 CE LYS A 58 14.162 0.183 -7.136 1.00 0.00 C ATOM 873 NZ LYS A 58 14.974 0.200 -8.381 1.00 0.00 N ATOM 0 H LYS A 58 9.228 0.046 -8.006 1.00 0.00 H new ATOM 0 HA LYS A 58 10.855 1.190 -5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.645 0.250 -8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.860 1.603 -8.941 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.179 2.178 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.384 3.163 -7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.439 2.267 -6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.077 1.518 -5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.773 -0.185 -6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.333 -0.515 -7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.421 -0.729 -8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.360 0.410 -9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.710 0.931 -8.305 1.00 0.00 H new ATOM 887 N GLU A 59 8.723 3.026 -7.567 1.00 0.00 N ATOM 888 CA GLU A 59 8.085 4.332 -7.710 1.00 0.00 C ATOM 889 C GLU A 59 6.567 4.189 -7.708 1.00 0.00 C ATOM 890 O GLU A 59 6.018 3.109 -7.455 1.00 0.00 O ATOM 891 CB GLU A 59 8.571 5.039 -9.015 1.00 0.00 C ATOM 892 CG GLU A 59 10.020 5.527 -8.968 1.00 0.00 C ATOM 893 CD GLU A 59 10.426 6.356 -10.195 1.00 0.00 C ATOM 894 OE1 GLU A 59 10.564 5.772 -11.300 1.00 0.00 O ATOM 895 OE2 GLU A 59 10.612 7.589 -10.065 1.00 0.00 O ATOM 0 H GLU A 59 8.292 2.298 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 59 8.371 4.950 -6.859 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.460 4.348 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.920 5.890 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.164 6.127 -8.070 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.683 4.666 -8.886 1.00 0.00 H new ATOM 902 N VAL A 60 5.922 5.317 -7.996 1.00 0.00 N ATOM 903 CA VAL A 60 4.476 5.486 -8.131 1.00 0.00 C ATOM 904 C VAL A 60 4.225 6.633 -9.137 1.00 0.00 C ATOM 905 O VAL A 60 5.169 7.335 -9.535 1.00 0.00 O ATOM 906 CB VAL A 60 3.800 5.858 -6.748 1.00 0.00 C ATOM 907 CG1 VAL A 60 3.706 4.649 -5.785 1.00 0.00 C ATOM 908 CG2 VAL A 60 4.557 7.031 -6.089 1.00 0.00 C ATOM 0 H VAL A 60 6.425 6.191 -8.151 1.00 0.00 H new ATOM 0 HA VAL A 60 4.040 4.548 -8.474 1.00 0.00 H new ATOM 0 HB VAL A 60 2.775 6.164 -6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.235 4.962 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.110 3.862 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.707 4.271 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.085 7.280 -5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.594 6.743 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.527 7.899 -6.747 1.00 0.00 H new ATOM 918 N GLN A 61 2.964 6.826 -9.547 1.00 0.00 N ATOM 919 CA GLN A 61 2.533 8.070 -10.213 1.00 0.00 C ATOM 920 C GLN A 61 1.322 8.628 -9.475 1.00 0.00 C ATOM 921 O GLN A 61 0.605 7.892 -8.820 1.00 0.00 O ATOM 922 CB GLN A 61 2.247 7.867 -11.735 1.00 0.00 C ATOM 923 CG GLN A 61 0.973 7.102 -12.137 1.00 0.00 C ATOM 924 CD GLN A 61 -0.278 7.975 -12.306 1.00 0.00 C ATOM 925 OE1 GLN A 61 -1.062 8.136 -11.384 1.00 0.00 O ATOM 926 NE2 GLN A 61 -0.448 8.559 -13.475 1.00 0.00 N ATOM 0 H GLN A 61 2.221 6.137 -9.430 1.00 0.00 H new ATOM 0 HA GLN A 61 3.348 8.792 -10.167 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.206 8.852 -12.201 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.100 7.345 -12.168 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.162 6.578 -13.074 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.769 6.343 -11.382 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.225 8.404 -14.225 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.253 9.166 -13.630 1.00 0.00 H new ATOM 935 N CYS A 62 1.107 9.926 -9.607 1.00 0.00 N ATOM 936 CA CYS A 62 -0.004 10.653 -8.957 1.00 0.00 C ATOM 937 C CYS A 62 -1.153 10.832 -9.949 1.00 0.00 C ATOM 938 O CYS A 62 -0.949 11.434 -10.991 1.00 0.00 O ATOM 939 CB CYS A 62 0.554 12.002 -8.469 1.00 0.00 C ATOM 940 SG CYS A 62 -0.604 13.399 -8.363 1.00 0.00 S ATOM 0 H CYS A 62 1.703 10.527 -10.176 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.403 10.100 -8.107 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.988 11.849 -7.481 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.368 12.290 -9.134 1.00 0.00 H new ATOM 945 N ILE A 63 -2.359 10.299 -9.626 1.00 0.00 N ATOM 946 CA ILE A 63 -3.510 10.245 -10.566 1.00 0.00 C ATOM 947 C ILE A 63 -4.212 11.627 -10.591 1.00 0.00 C ATOM 948 O ILE A 63 -5.349 11.795 -10.113 1.00 0.00 O ATOM 949 CB ILE A 63 -4.541 9.099 -10.184 1.00 0.00 C ATOM 950 CG1 ILE A 63 -3.808 7.830 -9.659 1.00 0.00 C ATOM 951 CG2 ILE A 63 -5.424 8.719 -11.400 1.00 0.00 C ATOM 952 CD1 ILE A 63 -4.713 6.765 -9.056 1.00 0.00 C ATOM 0 H ILE A 63 -2.561 9.896 -8.711 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.130 10.006 -11.559 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.177 9.490 -9.390 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.249 7.386 -10.482 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.080 8.135 -8.907 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.121 7.932 -11.112 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.982 9.594 -11.732 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.791 8.363 -12.212 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.109 5.922 -8.720 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.254 7.185 -8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.425 6.424 -9.808 1.00 0.00 H new ATOM 964 N ASN A 64 -3.473 12.619 -11.115 1.00 0.00 N ATOM 965 CA ASN A 64 -3.869 14.039 -11.117 1.00 0.00 C ATOM 966 C ASN A 64 -2.945 14.832 -12.071 1.00 0.00 C ATOM 967 O ASN A 64 -3.414 15.504 -12.991 1.00 0.00 O ATOM 968 CB ASN A 64 -3.812 14.618 -9.667 1.00 0.00 C ATOM 969 CG ASN A 64 -4.267 16.075 -9.562 1.00 0.00 C ATOM 970 OD1 ASN A 64 -5.093 16.545 -10.338 1.00 0.00 O ATOM 971 ND2 ASN A 64 -3.739 16.800 -8.591 1.00 0.00 N ATOM 0 H ASN A 64 -2.568 12.455 -11.557 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.895 14.130 -11.473 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.436 14.005 -9.017 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.791 14.539 -9.295 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.016 17.774 -8.473 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.054 16.385 -7.959 1.00 0.00 H new ATOM 978 N CYS A 65 -1.617 14.738 -11.834 1.00 0.00 N ATOM 979 CA CYS A 65 -0.582 15.402 -12.685 1.00 0.00 C ATOM 980 C CYS A 65 0.338 14.350 -13.342 1.00 0.00 C ATOM 981 O CYS A 65 1.189 14.696 -14.172 1.00 0.00 O ATOM 982 CB CYS A 65 0.270 16.388 -11.847 1.00 0.00 C ATOM 983 SG CYS A 65 1.365 15.584 -10.644 1.00 0.00 S ATOM 0 H CYS A 65 -1.227 14.206 -11.056 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.099 15.960 -13.466 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.873 16.995 -12.522 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -0.397 17.068 -11.317 1.00 0.00 H new ATOM 988 N GLU A 66 0.152 13.070 -12.934 1.00 0.00 N ATOM 989 CA GLU A 66 0.918 11.897 -13.418 1.00 0.00 C ATOM 990 C GLU A 66 2.407 11.987 -13.027 1.00 0.00 C ATOM 991 O GLU A 66 3.272 11.440 -13.715 1.00 0.00 O ATOM 992 CB GLU A 66 0.695 11.669 -14.946 1.00 0.00 C ATOM 993 CG GLU A 66 -0.785 11.436 -15.331 1.00 0.00 C ATOM 994 CD GLU A 66 -0.980 11.083 -16.816 1.00 0.00 C ATOM 995 OE1 GLU A 66 -0.921 12.002 -17.661 1.00 0.00 O ATOM 996 OE2 GLU A 66 -1.163 9.886 -17.142 1.00 0.00 O ATOM 0 H GLU A 66 -0.554 12.820 -12.241 1.00 0.00 H new ATOM 0 HA GLU A 66 0.532 11.010 -12.915 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.071 12.534 -15.492 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.284 10.809 -15.266 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.190 10.631 -14.717 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.359 12.333 -15.100 1.00 0.00 H new ATOM 1003 N LYS A 67 2.669 12.645 -11.871 1.00 0.00 N ATOM 1004 CA LYS A 67 4.020 12.788 -11.300 1.00 0.00 C ATOM 1005 C LYS A 67 4.625 11.417 -10.968 1.00 0.00 C ATOM 1006 O LYS A 67 4.136 10.733 -10.063 1.00 0.00 O ATOM 1007 CB LYS A 67 3.971 13.670 -10.018 1.00 0.00 C ATOM 1008 CG LYS A 67 5.311 13.780 -9.247 1.00 0.00 C ATOM 1009 CD LYS A 67 6.441 14.448 -10.071 1.00 0.00 C ATOM 1010 CE LYS A 67 7.825 14.242 -9.441 1.00 0.00 C ATOM 1011 NZ LYS A 67 7.916 14.831 -8.086 1.00 0.00 N ATOM 0 H LYS A 67 1.943 13.091 -11.311 1.00 0.00 H new ATOM 0 HA LYS A 67 4.652 13.272 -12.044 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.646 14.672 -10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.214 13.266 -9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.150 14.352 -8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.632 12.783 -8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.440 14.039 -11.081 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.240 15.516 -10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.043 13.175 -9.387 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.584 14.690 -10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.838 14.595 -7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.819 15.864 -8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.155 14.448 -7.489 1.00 0.00 H new ATOM 1025 N ILE A 68 5.693 11.045 -11.698 1.00 0.00 N ATOM 1026 CA ILE A 68 6.457 9.826 -11.426 1.00 0.00 C ATOM 1027 C ILE A 68 7.472 10.147 -10.318 1.00 0.00 C ATOM 1028 O ILE A 68 8.466 10.850 -10.541 1.00 0.00 O ATOM 1029 CB ILE A 68 7.204 9.287 -12.708 1.00 0.00 C ATOM 1030 CG1 ILE A 68 6.194 8.954 -13.855 1.00 0.00 C ATOM 1031 CG2 ILE A 68 8.083 8.056 -12.366 1.00 0.00 C ATOM 1032 CD1 ILE A 68 5.325 7.720 -13.626 1.00 0.00 C ATOM 0 H ILE A 68 6.045 11.583 -12.490 1.00 0.00 H new ATOM 0 HA ILE A 68 5.769 9.039 -11.115 1.00 0.00 H new ATOM 0 HB ILE A 68 7.862 10.080 -13.065 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.541 9.815 -14.002 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.754 8.816 -14.780 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.586 7.706 -13.268 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.828 8.336 -11.621 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.454 7.259 -11.968 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.661 7.579 -14.479 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.962 6.843 -13.512 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.730 7.856 -12.723 1.00 0.00 H new ATOM 1044 N GLN A 69 7.174 9.660 -9.118 1.00 0.00 N ATOM 1045 CA GLN A 69 7.993 9.883 -7.920 1.00 0.00 C ATOM 1046 C GLN A 69 8.140 8.564 -7.162 1.00 0.00 C ATOM 1047 O GLN A 69 7.384 7.636 -7.406 1.00 0.00 O ATOM 1048 CB GLN A 69 7.329 10.966 -7.018 1.00 0.00 C ATOM 1049 CG GLN A 69 5.946 10.564 -6.450 1.00 0.00 C ATOM 1050 CD GLN A 69 5.261 11.674 -5.652 1.00 0.00 C ATOM 1051 OE1 GLN A 69 4.486 12.461 -6.201 1.00 0.00 O ATOM 1052 NE2 GLN A 69 5.545 11.752 -4.355 1.00 0.00 N ATOM 0 H GLN A 69 6.346 9.091 -8.942 1.00 0.00 H new ATOM 0 HA GLN A 69 8.982 10.239 -8.208 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.998 11.190 -6.187 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.219 11.884 -7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.297 10.268 -7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.066 9.690 -5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.191 11.084 -3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.117 12.479 -3.782 1.00 0.00 H new ATOM 1061 N HIS A 70 9.106 8.482 -6.246 1.00 0.00 N ATOM 1062 CA HIS A 70 9.262 7.306 -5.368 1.00 0.00 C ATOM 1063 C HIS A 70 8.158 7.317 -4.292 1.00 0.00 C ATOM 1064 O HIS A 70 7.653 8.391 -3.937 1.00 0.00 O ATOM 1065 CB HIS A 70 10.682 7.277 -4.759 1.00 0.00 C ATOM 1066 CG HIS A 70 11.765 7.137 -5.806 1.00 0.00 C ATOM 1067 ND1 HIS A 70 12.205 5.918 -6.269 1.00 0.00 N ATOM 1068 CD2 HIS A 70 12.471 8.068 -6.499 1.00 0.00 C ATOM 1069 CE1 HIS A 70 13.124 6.103 -7.193 1.00 0.00 C ATOM 1070 NE2 HIS A 70 13.301 7.394 -7.355 1.00 0.00 N ATOM 0 H HIS A 70 9.797 9.215 -6.087 1.00 0.00 H new ATOM 0 HA HIS A 70 9.149 6.390 -5.948 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.848 8.193 -4.191 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.754 6.448 -4.055 1.00 0.00 H new ATOM 0 HD1 HIS A 70 11.870 5.010 -5.946 1.00 0.00 H new ATOM 0 HD2 HIS A 70 12.392 9.140 -6.394 1.00 0.00 H new ATOM 0 HE1 HIS A 70 13.645 5.323 -7.728 1.00 0.00 H new ATOM 1079 N ALA A 71 7.778 6.119 -3.803 1.00 0.00 N ATOM 1080 CA ALA A 71 6.591 5.934 -2.931 1.00 0.00 C ATOM 1081 C ALA A 71 6.642 6.794 -1.633 1.00 0.00 C ATOM 1082 O ALA A 71 7.349 6.463 -0.676 1.00 0.00 O ATOM 1083 CB ALA A 71 6.412 4.450 -2.602 1.00 0.00 C ATOM 0 H ALA A 71 8.281 5.253 -3.998 1.00 0.00 H new ATOM 0 HA ALA A 71 5.724 6.289 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.539 4.322 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.271 3.887 -3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.298 4.083 -2.085 1.00 0.00 H new ATOM 1089 N GLN A 72 5.863 7.891 -1.644 1.00 0.00 N ATOM 1090 CA GLN A 72 5.778 8.894 -0.550 1.00 0.00 C ATOM 1091 C GLN A 72 4.297 9.077 -0.140 1.00 0.00 C ATOM 1092 O GLN A 72 3.414 8.642 -0.878 1.00 0.00 O ATOM 1093 CB GLN A 72 6.429 10.212 -1.073 1.00 0.00 C ATOM 1094 CG GLN A 72 6.415 11.428 -0.118 1.00 0.00 C ATOM 1095 CD GLN A 72 7.392 12.540 -0.545 1.00 0.00 C ATOM 1096 OE1 GLN A 72 8.536 12.584 -0.086 1.00 0.00 O ATOM 1097 NE2 GLN A 72 6.975 13.410 -1.459 1.00 0.00 N ATOM 0 H GLN A 72 5.256 8.117 -2.432 1.00 0.00 H new ATOM 0 HA GLN A 72 6.313 8.574 0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.465 9.998 -1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.921 10.499 -1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.405 11.836 -0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 72 6.669 11.096 0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.024 13.351 -1.822 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.606 14.136 -1.797 1.00 0.00 H new ATOM 1106 N GLN A 73 4.015 9.674 1.043 1.00 0.00 N ATOM 1107 CA GLN A 73 2.619 9.882 1.513 1.00 0.00 C ATOM 1108 C GLN A 73 1.874 10.937 0.665 1.00 0.00 C ATOM 1109 O GLN A 73 0.659 10.830 0.464 1.00 0.00 O ATOM 1110 CB GLN A 73 2.562 10.287 3.015 1.00 0.00 C ATOM 1111 CG GLN A 73 1.117 10.486 3.551 1.00 0.00 C ATOM 1112 CD GLN A 73 1.009 10.893 5.022 1.00 0.00 C ATOM 1113 OE1 GLN A 73 1.892 11.541 5.577 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -0.098 10.533 5.658 1.00 0.00 N ATOM 0 H GLN A 73 4.728 10.018 1.686 1.00 0.00 H new ATOM 0 HA GLN A 73 2.117 8.922 1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.058 9.519 3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.123 11.211 3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.625 11.247 2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.564 9.558 3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.814 9.995 5.170 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.233 10.794 6.635 1.00 0.00 H new ATOM 1123 N THR A 74 2.597 11.956 0.172 1.00 0.00 N ATOM 1124 CA THR A 74 1.988 13.069 -0.586 1.00 0.00 C ATOM 1125 C THR A 74 2.840 13.409 -1.826 1.00 0.00 C ATOM 1126 O THR A 74 4.069 13.305 -1.796 1.00 0.00 O ATOM 1127 CB THR A 74 1.830 14.342 0.316 1.00 0.00 C ATOM 1128 OG1 THR A 74 1.237 13.977 1.578 1.00 0.00 O ATOM 1129 CG2 THR A 74 0.962 15.432 -0.343 1.00 0.00 C ATOM 0 H THR A 74 3.608 12.035 0.284 1.00 0.00 H new ATOM 0 HA THR A 74 0.998 12.749 -0.912 1.00 0.00 H new ATOM 0 HB THR A 74 2.830 14.751 0.462 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.142 14.776 2.138 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.886 16.290 0.325 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.419 15.743 -1.282 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.034 15.035 -0.538 1.00 0.00 H new ATOM 1137 N CYS A 75 2.154 13.760 -2.923 1.00 0.00 N ATOM 1138 CA CYS A 75 2.768 14.329 -4.126 1.00 0.00 C ATOM 1139 C CYS A 75 3.229 15.743 -3.799 1.00 0.00 C ATOM 1140 O CYS A 75 2.425 16.664 -3.743 1.00 0.00 O ATOM 1141 CB CYS A 75 1.754 14.341 -5.280 1.00 0.00 C ATOM 1142 SG CYS A 75 2.328 15.064 -6.853 1.00 0.00 S ATOM 0 H CYS A 75 1.142 13.654 -2.998 1.00 0.00 H new ATOM 0 HA CYS A 75 3.621 13.727 -4.439 1.00 0.00 H new ATOM 0 HB2 CYS A 75 1.440 13.315 -5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.871 14.890 -4.953 1.00 0.00 H new ATOM 1147 N GLU A 76 4.519 15.859 -3.528 1.00 0.00 N ATOM 1148 CA GLU A 76 5.191 17.090 -3.085 1.00 0.00 C ATOM 1149 C GLU A 76 4.886 18.325 -3.979 1.00 0.00 C ATOM 1150 O GLU A 76 4.803 19.451 -3.476 1.00 0.00 O ATOM 1151 CB GLU A 76 6.731 16.834 -3.024 1.00 0.00 C ATOM 1152 CG GLU A 76 7.423 16.524 -4.380 1.00 0.00 C ATOM 1153 CD GLU A 76 7.005 15.185 -5.026 1.00 0.00 C ATOM 1154 OE1 GLU A 76 7.547 14.134 -4.635 1.00 0.00 O ATOM 1155 OE2 GLU A 76 6.100 15.178 -5.902 1.00 0.00 O ATOM 0 H GLU A 76 5.161 15.071 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 76 4.799 17.334 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.208 17.711 -2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.914 16.000 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.204 17.332 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.502 16.518 -4.229 1.00 0.00 H new ATOM 1162 N GLU A 77 4.711 18.095 -5.298 1.00 0.00 N ATOM 1163 CA GLU A 77 4.617 19.170 -6.299 1.00 0.00 C ATOM 1164 C GLU A 77 3.162 19.683 -6.542 1.00 0.00 C ATOM 1165 O GLU A 77 2.994 20.820 -7.001 1.00 0.00 O ATOM 1166 CB GLU A 77 5.331 18.702 -7.606 1.00 0.00 C ATOM 1167 CG GLU A 77 4.805 17.405 -8.251 1.00 0.00 C ATOM 1168 CD GLU A 77 3.554 17.588 -9.117 1.00 0.00 C ATOM 1169 OE1 GLU A 77 3.659 18.132 -10.234 1.00 0.00 O ATOM 1170 OE2 GLU A 77 2.463 17.193 -8.683 1.00 0.00 O ATOM 0 H GLU A 77 4.631 17.159 -5.695 1.00 0.00 H new ATOM 0 HA GLU A 77 5.131 20.048 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.256 19.503 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.390 18.569 -7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.596 16.972 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.584 16.686 -7.462 1.00 0.00 H new ATOM 1177 N CYS A 78 2.102 18.871 -6.248 1.00 0.00 N ATOM 1178 CA CYS A 78 0.679 19.352 -6.400 1.00 0.00 C ATOM 1179 C CYS A 78 -0.222 18.939 -5.209 1.00 0.00 C ATOM 1180 O CYS A 78 -1.453 19.065 -5.284 1.00 0.00 O ATOM 1181 CB CYS A 78 0.036 18.906 -7.753 1.00 0.00 C ATOM 1182 SG CYS A 78 -0.727 17.241 -7.781 1.00 0.00 S ATOM 0 H CYS A 78 2.192 17.911 -5.915 1.00 0.00 H new ATOM 0 HA CYS A 78 0.742 20.440 -6.405 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -0.726 19.636 -8.026 1.00 0.00 H new ATOM 0 HB3 CYS A 78 0.804 18.943 -8.525 1.00 0.00 H new ATOM 1187 N SER A 79 0.412 18.460 -4.117 1.00 0.00 N ATOM 1188 CA SER A 79 -0.246 18.153 -2.817 1.00 0.00 C ATOM 1189 C SER A 79 -1.337 17.057 -2.926 1.00 0.00 C ATOM 1190 O SER A 79 -2.298 17.050 -2.149 1.00 0.00 O ATOM 1191 CB SER A 79 -0.789 19.457 -2.164 1.00 0.00 C ATOM 1192 OG SER A 79 0.260 20.383 -1.933 1.00 0.00 O ATOM 0 H SER A 79 1.414 18.270 -4.108 1.00 0.00 H new ATOM 0 HA SER A 79 0.517 17.732 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.541 19.907 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.283 19.218 -1.222 1.00 0.00 H new ATOM 0 HG SER A 79 -0.105 21.195 -1.524 1.00 0.00 H new ATOM 1198 N THR A 80 -1.148 16.096 -3.860 1.00 0.00 N ATOM 1199 CA THR A 80 -2.063 14.945 -4.000 1.00 0.00 C ATOM 1200 C THR A 80 -1.752 13.922 -2.902 1.00 0.00 C ATOM 1201 O THR A 80 -0.739 13.212 -2.990 1.00 0.00 O ATOM 1202 CB THR A 80 -1.937 14.253 -5.401 1.00 0.00 C ATOM 1203 OG1 THR A 80 -2.039 15.234 -6.437 1.00 0.00 O ATOM 1204 CG2 THR A 80 -3.012 13.161 -5.630 1.00 0.00 C ATOM 0 H THR A 80 -0.373 16.097 -4.524 1.00 0.00 H new ATOM 0 HA THR A 80 -3.083 15.318 -3.907 1.00 0.00 H new ATOM 0 HB THR A 80 -0.962 13.766 -5.426 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.191 15.719 -6.513 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.875 12.717 -6.616 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.914 12.388 -4.867 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.004 13.608 -5.568 1.00 0.00 H new ATOM 1212 N LEU A 81 -2.589 13.889 -1.855 1.00 0.00 N ATOM 1213 CA LEU A 81 -2.480 12.879 -0.801 1.00 0.00 C ATOM 1214 C LEU A 81 -2.753 11.488 -1.393 1.00 0.00 C ATOM 1215 O LEU A 81 -3.767 11.280 -2.079 1.00 0.00 O ATOM 1216 CB LEU A 81 -3.463 13.153 0.366 1.00 0.00 C ATOM 1217 CG LEU A 81 -3.380 12.146 1.562 1.00 0.00 C ATOM 1218 CD1 LEU A 81 -2.046 12.289 2.328 1.00 0.00 C ATOM 1219 CD2 LEU A 81 -4.595 12.277 2.506 1.00 0.00 C ATOM 0 H LEU A 81 -3.350 14.554 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.468 12.923 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.279 14.158 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.480 13.142 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.409 11.141 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.021 11.576 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.215 12.091 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.960 13.302 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.500 11.562 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.633 13.288 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.511 12.074 1.951 1.00 0.00 H new ATOM 1231 N PHE A 82 -1.817 10.571 -1.159 1.00 0.00 N ATOM 1232 CA PHE A 82 -1.977 9.162 -1.512 1.00 0.00 C ATOM 1233 C PHE A 82 -3.045 8.556 -0.592 1.00 0.00 C ATOM 1234 O PHE A 82 -4.067 8.074 -1.053 1.00 0.00 O ATOM 1235 CB PHE A 82 -0.638 8.393 -1.360 1.00 0.00 C ATOM 1236 CG PHE A 82 0.487 8.784 -2.334 1.00 0.00 C ATOM 1237 CD1 PHE A 82 0.792 10.117 -2.622 1.00 0.00 C ATOM 1238 CD2 PHE A 82 1.266 7.803 -2.931 1.00 0.00 C ATOM 1239 CE1 PHE A 82 1.831 10.447 -3.468 1.00 0.00 C ATOM 1240 CE2 PHE A 82 2.297 8.131 -3.774 1.00 0.00 C ATOM 1241 CZ PHE A 82 2.585 9.453 -4.046 1.00 0.00 C ATOM 0 H PHE A 82 -0.923 10.785 -0.718 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.284 9.080 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.275 8.536 -0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.839 7.328 -1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.203 10.904 -2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 82 1.057 6.763 -2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 82 2.051 11.484 -3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.888 7.349 -4.228 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.399 9.706 -4.710 1.00 0.00 H new ATOM 1251 N GLY A 83 -2.811 8.679 0.721 1.00 0.00 N ATOM 1252 CA GLY A 83 -3.687 8.090 1.730 1.00 0.00 C ATOM 1253 C GLY A 83 -3.441 8.676 3.109 1.00 0.00 C ATOM 1254 O GLY A 83 -2.319 9.127 3.400 1.00 0.00 O ATOM 0 H GLY A 83 -2.015 9.186 1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.727 8.253 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.531 7.012 1.761 1.00 0.00 H new ATOM 1258 N GLU A 84 -4.500 8.684 3.946 1.00 0.00 N ATOM 1259 CA GLU A 84 -4.429 9.119 5.355 1.00 0.00 C ATOM 1260 C GLU A 84 -3.337 8.336 6.104 1.00 0.00 C ATOM 1261 O GLU A 84 -2.499 8.919 6.801 1.00 0.00 O ATOM 1262 CB GLU A 84 -5.793 8.882 6.038 1.00 0.00 C ATOM 1263 CG GLU A 84 -6.954 9.743 5.507 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.813 11.234 5.864 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.663 11.554 7.067 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -6.863 12.091 4.962 1.00 0.00 O ATOM 0 H GLU A 84 -5.433 8.387 3.660 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.183 10.181 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.060 7.831 5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.683 9.069 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.010 9.639 4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.893 9.366 5.912 1.00 0.00 H new ATOM 1273 N TYR A 85 -3.365 7.012 5.909 1.00 0.00 N ATOM 1274 CA TYR A 85 -2.346 6.093 6.414 1.00 0.00 C ATOM 1275 C TYR A 85 -1.182 6.026 5.412 1.00 0.00 C ATOM 1276 O TYR A 85 -1.391 6.021 4.186 1.00 0.00 O ATOM 1277 CB TYR A 85 -2.947 4.677 6.623 1.00 0.00 C ATOM 1278 CG TYR A 85 -1.928 3.633 7.127 1.00 0.00 C ATOM 1279 CD1 TYR A 85 -1.465 3.676 8.442 1.00 0.00 C ATOM 1280 CD2 TYR A 85 -1.420 2.627 6.293 1.00 0.00 C ATOM 1281 CE1 TYR A 85 -0.545 2.760 8.910 1.00 0.00 C ATOM 1282 CE2 TYR A 85 -0.501 1.706 6.764 1.00 0.00 C ATOM 1283 CZ TYR A 85 -0.064 1.781 8.069 1.00 0.00 C ATOM 1284 OH TYR A 85 0.852 0.868 8.539 1.00 0.00 O ATOM 0 H TYR A 85 -4.108 6.546 5.388 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.982 6.457 7.375 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.768 4.743 7.337 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.371 4.330 5.681 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.834 4.442 9.108 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.751 2.570 5.267 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.203 2.811 9.933 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.127 0.931 6.111 1.00 0.00 H new ATOM 0 HH TYR A 85 1.114 0.264 7.813 1.00 0.00 H new ATOM 1294 N TYR A 86 0.032 5.943 5.963 1.00 0.00 N ATOM 1295 CA TYR A 86 1.280 5.910 5.203 1.00 0.00 C ATOM 1296 C TYR A 86 2.175 4.785 5.735 1.00 0.00 C ATOM 1297 O TYR A 86 2.156 4.481 6.941 1.00 0.00 O ATOM 1298 CB TYR A 86 2.006 7.279 5.301 1.00 0.00 C ATOM 1299 CG TYR A 86 2.363 7.739 6.738 1.00 0.00 C ATOM 1300 CD1 TYR A 86 1.399 8.295 7.586 1.00 0.00 C ATOM 1301 CD2 TYR A 86 3.660 7.609 7.240 1.00 0.00 C ATOM 1302 CE1 TYR A 86 1.716 8.698 8.869 1.00 0.00 C ATOM 1303 CE2 TYR A 86 3.975 8.009 8.523 1.00 0.00 C ATOM 1304 CZ TYR A 86 3.002 8.554 9.330 1.00 0.00 C ATOM 1305 OH TYR A 86 3.318 8.951 10.613 1.00 0.00 O ATOM 0 H TYR A 86 0.175 5.896 6.972 1.00 0.00 H new ATOM 0 HA TYR A 86 1.057 5.718 4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.924 7.228 4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.376 8.040 4.840 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.386 8.412 7.230 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.431 7.187 6.612 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.956 9.124 9.507 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.983 7.895 8.893 1.00 0.00 H new ATOM 0 HH TYR A 86 4.268 8.781 10.784 1.00 0.00 H new ATOM 1315 N CYS A 87 2.922 4.156 4.821 1.00 0.00 N ATOM 1316 CA CYS A 87 3.967 3.184 5.156 1.00 0.00 C ATOM 1317 C CYS A 87 4.817 2.972 3.885 1.00 0.00 C ATOM 1318 O CYS A 87 4.341 2.360 2.919 1.00 0.00 O ATOM 1319 CB CYS A 87 3.311 1.859 5.637 1.00 0.00 C ATOM 1320 SG CYS A 87 4.315 0.865 6.773 1.00 0.00 S ATOM 0 H CYS A 87 2.817 4.309 3.818 1.00 0.00 H new ATOM 0 HA CYS A 87 4.604 3.540 5.966 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.367 2.097 6.126 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.073 1.253 4.763 1.00 0.00 H new ATOM 1325 N ASP A 88 6.076 3.454 3.906 1.00 0.00 N ATOM 1326 CA ASP A 88 6.928 3.570 2.694 1.00 0.00 C ATOM 1327 C ASP A 88 7.576 2.228 2.323 1.00 0.00 C ATOM 1328 O ASP A 88 7.697 1.901 1.139 1.00 0.00 O ATOM 1329 CB ASP A 88 8.016 4.666 2.896 1.00 0.00 C ATOM 1330 CG ASP A 88 9.051 4.322 3.992 1.00 0.00 C ATOM 1331 OD1 ASP A 88 8.733 4.478 5.191 1.00 0.00 O ATOM 1332 OD2 ASP A 88 10.175 3.881 3.660 1.00 0.00 O ATOM 0 H ASP A 88 6.535 3.774 4.759 1.00 0.00 H new ATOM 0 HA ASP A 88 6.283 3.862 1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.539 4.825 1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.528 5.606 3.152 1.00 0.00 H new ATOM 1337 N ILE A 89 7.972 1.453 3.352 1.00 0.00 N ATOM 1338 CA ILE A 89 8.639 0.149 3.183 1.00 0.00 C ATOM 1339 C ILE A 89 7.675 -0.868 2.540 1.00 0.00 C ATOM 1340 O ILE A 89 8.058 -1.638 1.653 1.00 0.00 O ATOM 1341 CB ILE A 89 9.183 -0.400 4.562 1.00 0.00 C ATOM 1342 CG1 ILE A 89 10.146 0.642 5.229 1.00 0.00 C ATOM 1343 CG2 ILE A 89 9.884 -1.778 4.394 1.00 0.00 C ATOM 1344 CD1 ILE A 89 10.699 0.246 6.593 1.00 0.00 C ATOM 0 H ILE A 89 7.837 1.716 4.328 1.00 0.00 H new ATOM 0 HA ILE A 89 9.492 0.292 2.520 1.00 0.00 H new ATOM 0 HB ILE A 89 8.327 -0.549 5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.984 0.820 4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 89 9.614 1.588 5.333 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.245 -2.123 5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.174 -2.501 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.725 -1.677 3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.352 1.036 6.964 1.00 0.00 H new ATOM 0 HD12 ILE A 89 9.875 0.099 7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.266 -0.680 6.501 1.00 0.00 H new ATOM 1356 N CYS A 90 6.404 -0.835 2.984 1.00 0.00 N ATOM 1357 CA CYS A 90 5.343 -1.693 2.433 1.00 0.00 C ATOM 1358 C CYS A 90 4.753 -1.068 1.166 1.00 0.00 C ATOM 1359 O CYS A 90 4.074 -1.748 0.402 1.00 0.00 O ATOM 1360 CB CYS A 90 4.235 -1.900 3.472 1.00 0.00 C ATOM 1361 SG CYS A 90 4.814 -2.461 5.094 1.00 0.00 S ATOM 0 H CYS A 90 6.087 -0.216 3.730 1.00 0.00 H new ATOM 0 HA CYS A 90 5.780 -2.659 2.180 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.695 -0.962 3.599 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.523 -2.628 3.084 1.00 0.00 H new ATOM 1366 N HIS A 91 4.981 0.258 0.999 1.00 0.00 N ATOM 1367 CA HIS A 91 4.536 1.060 -0.169 1.00 0.00 C ATOM 1368 C HIS A 91 3.000 1.198 -0.255 1.00 0.00 C ATOM 1369 O HIS A 91 2.485 1.835 -1.188 1.00 0.00 O ATOM 1370 CB HIS A 91 5.091 0.475 -1.487 1.00 0.00 C ATOM 1371 CG HIS A 91 6.594 0.433 -1.598 1.00 0.00 C ATOM 1372 ND1 HIS A 91 7.382 -0.490 -0.947 1.00 0.00 N ATOM 1373 CD2 HIS A 91 7.439 1.201 -2.301 1.00 0.00 C ATOM 1374 CE1 HIS A 91 8.645 -0.281 -1.262 1.00 0.00 C ATOM 1375 NE2 HIS A 91 8.709 0.742 -2.082 1.00 0.00 N ATOM 0 H HIS A 91 5.490 0.812 1.687 1.00 0.00 H new ATOM 0 HA HIS A 91 4.941 2.061 -0.021 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.707 -0.539 -1.604 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.699 1.062 -2.318 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.165 2.035 -2.930 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.487 -0.856 -0.905 1.00 0.00 H new ATOM 0 HE2 HIS A 91 9.561 1.129 -2.487 1.00 0.00 H new ATOM 1384 N LEU A 92 2.273 0.619 0.721 1.00 0.00 N ATOM 1385 CA LEU A 92 0.810 0.602 0.715 1.00 0.00 C ATOM 1386 C LEU A 92 0.317 1.860 1.438 1.00 0.00 C ATOM 1387 O LEU A 92 0.720 2.151 2.579 1.00 0.00 O ATOM 1388 CB LEU A 92 0.256 -0.738 1.322 1.00 0.00 C ATOM 1389 CG LEU A 92 0.387 -0.990 2.877 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -0.845 -0.473 3.672 1.00 0.00 C ATOM 1391 CD2 LEU A 92 0.625 -2.489 3.180 1.00 0.00 C ATOM 0 H LEU A 92 2.688 0.154 1.529 1.00 0.00 H new ATOM 0 HA LEU A 92 0.425 0.626 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.802 -0.802 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.757 -1.561 0.812 1.00 0.00 H new ATOM 0 HG LEU A 92 1.253 -0.418 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.702 -0.672 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.955 0.600 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.743 -0.984 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.711 -2.633 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.213 -3.074 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.545 -2.817 2.695 1.00 0.00 H new ATOM 1403 N PHE A 93 -0.481 2.648 0.717 1.00 0.00 N ATOM 1404 CA PHE A 93 -1.046 3.913 1.201 1.00 0.00 C ATOM 1405 C PHE A 93 -2.560 3.837 0.993 1.00 0.00 C ATOM 1406 O PHE A 93 -3.012 3.404 -0.074 1.00 0.00 O ATOM 1407 CB PHE A 93 -0.432 5.112 0.426 1.00 0.00 C ATOM 1408 CG PHE A 93 1.106 5.114 0.378 1.00 0.00 C ATOM 1409 CD1 PHE A 93 1.865 5.061 1.544 1.00 0.00 C ATOM 1410 CD2 PHE A 93 1.784 5.187 -0.836 1.00 0.00 C ATOM 1411 CE1 PHE A 93 3.246 5.080 1.491 1.00 0.00 C ATOM 1412 CE2 PHE A 93 3.159 5.198 -0.892 1.00 0.00 C ATOM 1413 CZ PHE A 93 3.894 5.147 0.274 1.00 0.00 C ATOM 0 H PHE A 93 -0.760 2.423 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 93 -0.817 4.066 2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.816 5.105 -0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.771 6.040 0.887 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.369 5.004 2.502 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.218 5.236 -1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 93 3.820 5.042 2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.661 5.246 -1.847 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.973 5.159 0.235 1.00 0.00 H new ATOM 1423 N ASP A 94 -3.325 4.237 2.008 1.00 0.00 N ATOM 1424 CA ASP A 94 -4.780 3.991 2.063 1.00 0.00 C ATOM 1425 C ASP A 94 -5.429 4.951 3.077 1.00 0.00 C ATOM 1426 O ASP A 94 -4.725 5.668 3.783 1.00 0.00 O ATOM 1427 CB ASP A 94 -5.012 2.489 2.433 1.00 0.00 C ATOM 1428 CG ASP A 94 -6.492 2.054 2.507 1.00 0.00 C ATOM 1429 OD1 ASP A 94 -7.220 2.198 1.493 1.00 0.00 O ATOM 1430 OD2 ASP A 94 -6.927 1.577 3.579 1.00 0.00 O ATOM 0 H ASP A 94 -2.962 4.740 2.818 1.00 0.00 H new ATOM 0 HA ASP A 94 -5.248 4.183 1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.503 1.867 1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.543 2.292 3.397 1.00 0.00 H new ATOM 1435 N LYS A 95 -6.768 4.978 3.113 1.00 0.00 N ATOM 1436 CA LYS A 95 -7.556 5.797 4.062 1.00 0.00 C ATOM 1437 C LYS A 95 -7.303 5.381 5.533 1.00 0.00 C ATOM 1438 O LYS A 95 -6.792 4.290 5.791 1.00 0.00 O ATOM 1439 CB LYS A 95 -9.057 5.638 3.733 1.00 0.00 C ATOM 1440 CG LYS A 95 -9.449 6.065 2.304 1.00 0.00 C ATOM 1441 CD LYS A 95 -10.956 5.862 2.008 1.00 0.00 C ATOM 1442 CE LYS A 95 -11.872 6.762 2.855 1.00 0.00 C ATOM 1443 NZ LYS A 95 -13.308 6.564 2.522 1.00 0.00 N ATOM 0 H LYS A 95 -7.347 4.428 2.479 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.246 6.836 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.339 4.595 3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.636 6.225 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.194 7.115 2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.862 5.493 1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.141 6.059 0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.217 4.819 2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.712 6.550 3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.603 7.806 2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.891 7.189 3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.466 6.791 1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.572 5.574 2.699 1.00 0.00 H new ATOM 1457 N ASP A 96 -7.689 6.254 6.490 1.00 0.00 N ATOM 1458 CA ASP A 96 -7.560 5.949 7.925 1.00 0.00 C ATOM 1459 C ASP A 96 -8.636 4.932 8.315 1.00 0.00 C ATOM 1460 O ASP A 96 -9.830 5.242 8.338 1.00 0.00 O ATOM 1461 CB ASP A 96 -7.676 7.229 8.798 1.00 0.00 C ATOM 1462 CG ASP A 96 -7.611 6.932 10.312 1.00 0.00 C ATOM 1463 OD1 ASP A 96 -6.563 6.444 10.784 1.00 0.00 O ATOM 1464 OD2 ASP A 96 -8.599 7.178 11.037 1.00 0.00 O ATOM 0 H ASP A 96 -8.090 7.171 6.292 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.570 5.529 8.106 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.873 7.917 8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.616 7.733 8.572 1.00 0.00 H new ATOM 1469 N LYS A 97 -8.183 3.713 8.600 1.00 0.00 N ATOM 1470 CA LYS A 97 -9.035 2.570 8.972 1.00 0.00 C ATOM 1471 C LYS A 97 -8.400 1.862 10.182 1.00 0.00 C ATOM 1472 O LYS A 97 -8.615 0.659 10.400 1.00 0.00 O ATOM 1473 CB LYS A 97 -9.174 1.618 7.741 1.00 0.00 C ATOM 1474 CG LYS A 97 -9.851 2.264 6.506 1.00 0.00 C ATOM 1475 CD LYS A 97 -9.801 1.379 5.243 1.00 0.00 C ATOM 1476 CE LYS A 97 -10.500 2.019 4.030 1.00 0.00 C ATOM 1477 NZ LYS A 97 -11.928 2.329 4.302 1.00 0.00 N ATOM 0 H LYS A 97 -7.190 3.480 8.580 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.036 2.896 9.254 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.183 1.267 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.749 0.741 8.038 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.892 2.483 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.366 3.216 6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.760 1.176 4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.270 0.419 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.978 2.935 3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.433 1.344 3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.400 2.598 3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.395 1.490 4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.990 3.116 4.979 1.00 0.00 H new ATOM 1491 N LYS A 98 -7.598 2.650 10.958 1.00 0.00 N ATOM 1492 CA LYS A 98 -6.936 2.214 12.212 1.00 0.00 C ATOM 1493 C LYS A 98 -5.957 1.040 11.993 1.00 0.00 C ATOM 1494 O LYS A 98 -5.525 0.400 12.966 1.00 0.00 O ATOM 1495 CB LYS A 98 -7.987 1.881 13.305 1.00 0.00 C ATOM 1496 CG LYS A 98 -8.629 3.105 14.002 1.00 0.00 C ATOM 1497 CD LYS A 98 -9.483 3.964 13.056 1.00 0.00 C ATOM 1498 CE LYS A 98 -10.040 5.223 13.731 1.00 0.00 C ATOM 1499 NZ LYS A 98 -10.813 6.078 12.787 1.00 0.00 N ATOM 0 H LYS A 98 -7.394 3.621 10.720 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.333 3.053 12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.779 1.284 12.854 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.513 1.259 14.064 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.250 2.759 14.828 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.842 3.724 14.432 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.881 4.256 12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.311 3.365 12.677 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.682 4.932 14.563 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.217 5.802 14.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.308 6.822 13.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.163 6.516 12.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.508 5.494 12.279 1.00 0.00 H new ATOM 1513 N GLN A 99 -5.589 0.801 10.714 1.00 0.00 N ATOM 1514 CA GLN A 99 -4.732 -0.324 10.318 1.00 0.00 C ATOM 1515 C GLN A 99 -3.322 -0.177 10.925 1.00 0.00 C ATOM 1516 O GLN A 99 -2.699 0.895 10.866 1.00 0.00 O ATOM 1517 CB GLN A 99 -4.661 -0.499 8.767 1.00 0.00 C ATOM 1518 CG GLN A 99 -4.111 0.696 7.956 1.00 0.00 C ATOM 1519 CD GLN A 99 -5.151 1.794 7.675 1.00 0.00 C ATOM 1520 OE1 GLN A 99 -5.327 2.725 8.461 1.00 0.00 O ATOM 1521 NE2 GLN A 99 -5.831 1.692 6.542 1.00 0.00 N ATOM 0 H GLN A 99 -5.881 1.387 9.932 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.187 -1.231 10.717 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.042 -1.370 8.551 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.664 -0.723 8.404 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.273 1.134 8.498 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.720 0.329 7.007 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.660 0.907 5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.525 2.398 6.299 1.00 0.00 H new ATOM 1530 N TYR A 100 -2.847 -1.276 11.511 1.00 0.00 N ATOM 1531 CA TYR A 100 -1.602 -1.317 12.294 1.00 0.00 C ATOM 1532 C TYR A 100 -0.476 -1.951 11.477 1.00 0.00 C ATOM 1533 O TYR A 100 -0.683 -2.971 10.809 1.00 0.00 O ATOM 1534 CB TYR A 100 -1.829 -2.118 13.613 1.00 0.00 C ATOM 1535 CG TYR A 100 -2.456 -3.524 13.431 1.00 0.00 C ATOM 1536 CD1 TYR A 100 -1.660 -4.659 13.235 1.00 0.00 C ATOM 1537 CD2 TYR A 100 -3.844 -3.703 13.442 1.00 0.00 C ATOM 1538 CE1 TYR A 100 -2.222 -5.907 13.058 1.00 0.00 C ATOM 1539 CE2 TYR A 100 -4.406 -4.952 13.268 1.00 0.00 C ATOM 1540 CZ TYR A 100 -3.592 -6.049 13.076 1.00 0.00 C ATOM 1541 OH TYR A 100 -4.148 -7.300 12.903 1.00 0.00 O ATOM 0 H TYR A 100 -3.320 -2.178 11.457 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.313 -0.296 12.544 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.871 -2.228 14.122 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.473 -1.532 14.269 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -0.585 -4.556 13.222 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -4.487 -2.848 13.589 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -1.590 -6.769 12.906 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -5.479 -5.070 13.282 1.00 0.00 H new ATOM 0 HH TYR A 100 -4.891 -7.418 13.531 1.00 0.00 H new ATOM 1551 N HIS A 101 0.714 -1.335 11.504 1.00 0.00 N ATOM 1552 CA HIS A 101 1.941 -1.993 11.056 1.00 0.00 C ATOM 1553 C HIS A 101 2.529 -2.743 12.253 1.00 0.00 C ATOM 1554 O HIS A 101 3.113 -2.140 13.164 1.00 0.00 O ATOM 1555 CB HIS A 101 2.963 -1.003 10.415 1.00 0.00 C ATOM 1556 CG HIS A 101 4.237 -1.688 9.936 1.00 0.00 C ATOM 1557 ND1 HIS A 101 4.367 -2.243 8.654 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.341 -2.013 10.667 1.00 0.00 C ATOM 1559 CE1 HIS A 101 5.522 -2.882 8.699 1.00 0.00 C ATOM 1560 NE2 HIS A 101 6.136 -2.771 9.875 1.00 0.00 N ATOM 0 H HIS A 101 0.849 -0.379 11.833 1.00 0.00 H new ATOM 0 HA HIS A 101 1.705 -2.694 10.256 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.491 -0.497 9.573 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.222 -0.235 11.144 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.544 -1.721 11.687 1.00 0.00 H new ATOM 0 HE1 HIS A 101 5.927 -3.438 7.866 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.035 -3.179 10.131 1.00 0.00 H new ATOM 1568 N CYS A 102 2.296 -4.055 12.264 1.00 0.00 N ATOM 1569 CA CYS A 102 2.894 -4.964 13.236 1.00 0.00 C ATOM 1570 C CYS A 102 4.389 -5.101 12.893 1.00 0.00 C ATOM 1571 O CYS A 102 4.727 -5.768 11.916 1.00 0.00 O ATOM 1572 CB CYS A 102 2.185 -6.334 13.174 1.00 0.00 C ATOM 1573 SG CYS A 102 2.600 -7.450 14.544 1.00 0.00 S ATOM 0 H CYS A 102 1.683 -4.518 11.593 1.00 0.00 H new ATOM 0 HA CYS A 102 2.783 -4.579 14.250 1.00 0.00 H new ATOM 0 HB2 CYS A 102 1.107 -6.172 13.166 1.00 0.00 H new ATOM 0 HB3 CYS A 102 2.442 -6.821 12.233 1.00 0.00 H new ATOM 1578 N GLU A 103 5.258 -4.426 13.674 1.00 0.00 N ATOM 1579 CA GLU A 103 6.710 -4.297 13.382 1.00 0.00 C ATOM 1580 C GLU A 103 7.418 -5.663 13.318 1.00 0.00 C ATOM 1581 O GLU A 103 8.306 -5.866 12.487 1.00 0.00 O ATOM 1582 CB GLU A 103 7.391 -3.393 14.441 1.00 0.00 C ATOM 1583 CG GLU A 103 6.825 -1.960 14.515 1.00 0.00 C ATOM 1584 CD GLU A 103 7.469 -1.122 15.633 1.00 0.00 C ATOM 1585 OE1 GLU A 103 8.531 -0.504 15.397 1.00 0.00 O ATOM 1586 OE2 GLU A 103 6.930 -1.104 16.764 1.00 0.00 O ATOM 0 H GLU A 103 4.975 -3.951 14.531 1.00 0.00 H new ATOM 0 HA GLU A 103 6.801 -3.838 12.397 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.290 -3.861 15.420 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.457 -3.338 14.223 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.982 -1.462 13.558 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.748 -2.007 14.677 1.00 0.00 H new ATOM 1593 N ASN A 104 6.994 -6.582 14.199 1.00 0.00 N ATOM 1594 CA ASN A 104 7.531 -7.955 14.277 1.00 0.00 C ATOM 1595 C ASN A 104 7.283 -8.736 12.968 1.00 0.00 C ATOM 1596 O ASN A 104 8.193 -9.367 12.431 1.00 0.00 O ATOM 1597 CB ASN A 104 6.881 -8.698 15.476 1.00 0.00 C ATOM 1598 CG ASN A 104 7.384 -10.133 15.687 1.00 0.00 C ATOM 1599 OD1 ASN A 104 6.613 -11.016 16.049 1.00 0.00 O ATOM 1600 ND2 ASN A 104 8.683 -10.364 15.516 1.00 0.00 N ATOM 0 H ASN A 104 6.262 -6.394 14.885 1.00 0.00 H new ATOM 0 HA ASN A 104 8.609 -7.893 14.424 1.00 0.00 H new ATOM 0 HB2 ASN A 104 7.065 -8.125 16.385 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.801 -8.723 15.329 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.062 -11.295 15.687 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.300 -9.610 15.214 1.00 0.00 H new ATOM 1607 N CYS A 105 6.035 -8.670 12.473 1.00 0.00 N ATOM 1608 CA CYS A 105 5.604 -9.396 11.258 1.00 0.00 C ATOM 1609 C CYS A 105 5.993 -8.645 9.968 1.00 0.00 C ATOM 1610 O CYS A 105 6.086 -9.250 8.900 1.00 0.00 O ATOM 1611 CB CYS A 105 4.086 -9.654 11.321 1.00 0.00 C ATOM 1612 SG CYS A 105 3.593 -10.663 12.752 1.00 0.00 S ATOM 0 H CYS A 105 5.295 -8.114 12.901 1.00 0.00 H new ATOM 0 HA CYS A 105 6.125 -10.353 11.228 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.562 -8.699 11.360 1.00 0.00 H new ATOM 0 HB3 CYS A 105 3.770 -10.154 10.405 1.00 0.00 H new ATOM 1617 N GLY A 106 6.192 -7.319 10.089 1.00 0.00 N ATOM 1618 CA GLY A 106 6.657 -6.479 8.972 1.00 0.00 C ATOM 1619 C GLY A 106 5.592 -6.242 7.898 1.00 0.00 C ATOM 1620 O GLY A 106 5.916 -6.080 6.718 1.00 0.00 O ATOM 0 H GLY A 106 6.036 -6.805 10.956 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.986 -5.517 9.364 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.526 -6.949 8.512 1.00 0.00 H new ATOM 1624 N ILE A 107 4.310 -6.196 8.323 1.00 0.00 N ATOM 1625 CA ILE A 107 3.139 -6.009 7.421 1.00 0.00 C ATOM 1626 C ILE A 107 2.090 -5.102 8.094 1.00 0.00 C ATOM 1627 O ILE A 107 2.101 -4.946 9.327 1.00 0.00 O ATOM 1628 CB ILE A 107 2.461 -7.388 7.029 1.00 0.00 C ATOM 1629 CG1 ILE A 107 2.113 -8.221 8.314 1.00 0.00 C ATOM 1630 CG2 ILE A 107 3.344 -8.196 6.040 1.00 0.00 C ATOM 1631 CD1 ILE A 107 1.408 -9.544 8.056 1.00 0.00 C ATOM 0 H ILE A 107 4.051 -6.287 9.305 1.00 0.00 H new ATOM 0 HA ILE A 107 3.509 -5.542 6.508 1.00 0.00 H new ATOM 0 HB ILE A 107 1.527 -7.169 6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 107 3.035 -8.419 8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.483 -7.612 8.963 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.848 -9.135 5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.496 -7.616 5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.309 -8.406 6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.212 -10.043 9.005 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.465 -9.360 7.541 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.041 -10.179 7.437 1.00 0.00 H new ATOM 1643 N CYS A 108 1.197 -4.490 7.279 1.00 0.00 N ATOM 1644 CA CYS A 108 0.056 -3.702 7.788 1.00 0.00 C ATOM 1645 C CYS A 108 -1.207 -3.905 6.941 1.00 0.00 C ATOM 1646 O CYS A 108 -1.220 -3.614 5.743 1.00 0.00 O ATOM 1647 CB CYS A 108 0.427 -2.208 7.863 1.00 0.00 C ATOM 1648 SG CYS A 108 1.405 -1.600 6.478 1.00 0.00 S ATOM 0 H CYS A 108 1.249 -4.530 6.261 1.00 0.00 H new ATOM 0 HA CYS A 108 -0.169 -4.061 8.792 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.491 -1.623 7.925 1.00 0.00 H new ATOM 0 HB3 CYS A 108 0.981 -2.032 8.785 1.00 0.00 H new ATOM 1653 N ARG A 109 -2.272 -4.394 7.604 1.00 0.00 N ATOM 1654 CA ARG A 109 -3.603 -4.600 7.004 1.00 0.00 C ATOM 1655 C ARG A 109 -4.692 -4.082 7.957 1.00 0.00 C ATOM 1656 O ARG A 109 -4.408 -3.777 9.130 1.00 0.00 O ATOM 1657 CB ARG A 109 -3.827 -6.097 6.622 1.00 0.00 C ATOM 1658 CG ARG A 109 -3.074 -6.586 5.352 1.00 0.00 C ATOM 1659 CD ARG A 109 -3.618 -5.987 4.026 1.00 0.00 C ATOM 1660 NE ARG A 109 -3.400 -4.524 3.897 1.00 0.00 N ATOM 1661 CZ ARG A 109 -4.346 -3.612 3.573 1.00 0.00 C ATOM 1662 NH1 ARG A 109 -5.615 -3.968 3.378 1.00 0.00 N ATOM 1663 NH2 ARG A 109 -4.010 -2.332 3.465 1.00 0.00 N ATOM 0 H ARG A 109 -2.231 -4.661 8.588 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.663 -4.029 6.078 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -3.523 -6.718 7.465 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.895 -6.260 6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.018 -6.332 5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -3.137 -7.673 5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -3.140 -6.492 3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -4.686 -6.194 3.956 1.00 0.00 H new ATOM 0 HE ARG A 109 -2.456 -4.176 4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -5.891 -4.946 3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -6.311 -3.263 3.135 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -3.045 -2.043 3.626 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -4.717 -1.638 3.221 1.00 0.00 H new ATOM 1677 N ILE A 110 -5.932 -3.999 7.432 1.00 0.00 N ATOM 1678 CA ILE A 110 -7.072 -3.335 8.100 1.00 0.00 C ATOM 1679 C ILE A 110 -7.464 -4.064 9.396 1.00 0.00 C ATOM 1680 O ILE A 110 -7.551 -5.294 9.427 1.00 0.00 O ATOM 1681 CB ILE A 110 -8.319 -3.233 7.138 1.00 0.00 C ATOM 1682 CG1 ILE A 110 -7.909 -2.599 5.766 1.00 0.00 C ATOM 1683 CG2 ILE A 110 -9.488 -2.441 7.791 1.00 0.00 C ATOM 1684 CD1 ILE A 110 -7.238 -1.238 5.865 1.00 0.00 C ATOM 0 H ILE A 110 -6.173 -4.395 6.523 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.750 -2.326 8.357 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.677 -4.246 6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -7.234 -3.284 5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.800 -2.504 5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.327 -2.393 7.097 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.802 -2.944 8.706 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.155 -1.431 8.028 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.991 -0.880 4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.916 -0.532 6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.326 -1.324 6.455 1.00 0.00 H new ATOM 1696 N GLY A 111 -7.673 -3.278 10.452 1.00 0.00 N ATOM 1697 CA GLY A 111 -8.017 -3.785 11.760 1.00 0.00 C ATOM 1698 C GLY A 111 -7.725 -2.719 12.780 1.00 0.00 C ATOM 1699 O GLY A 111 -6.601 -2.207 12.773 1.00 0.00 O ATOM 0 H GLY A 111 -7.605 -2.261 10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.071 -4.062 11.793 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.444 -4.686 11.979 1.00 0.00 H new ATOM 1703 N PRO A 112 -8.693 -2.316 13.653 1.00 0.00 N ATOM 1704 CA PRO A 112 -8.429 -1.294 14.660 1.00 0.00 C ATOM 1705 C PRO A 112 -7.462 -1.830 15.724 1.00 0.00 C ATOM 1706 O PRO A 112 -7.752 -2.812 16.408 1.00 0.00 O ATOM 1707 CB PRO A 112 -9.825 -0.932 15.199 1.00 0.00 C ATOM 1708 CG PRO A 112 -10.617 -2.189 15.022 1.00 0.00 C ATOM 1709 CD PRO A 112 -10.092 -2.816 13.741 1.00 0.00 C ATOM 0 HA PRO A 112 -7.930 -0.405 14.275 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -9.783 -0.630 16.246 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -10.264 -0.102 14.645 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -10.485 -2.860 15.871 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -11.683 -1.975 14.947 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -10.126 -3.905 13.784 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -10.681 -2.513 12.876 1.00 0.00 H new ATOM 1717 N LYS A 113 -6.297 -1.179 15.814 1.00 0.00 N ATOM 1718 CA LYS A 113 -5.155 -1.644 16.638 1.00 0.00 C ATOM 1719 C LYS A 113 -5.496 -1.670 18.144 1.00 0.00 C ATOM 1720 O LYS A 113 -4.878 -2.403 18.914 1.00 0.00 O ATOM 1721 CB LYS A 113 -3.908 -0.767 16.371 1.00 0.00 C ATOM 1722 CG LYS A 113 -4.050 0.717 16.774 1.00 0.00 C ATOM 1723 CD LYS A 113 -2.872 1.588 16.276 1.00 0.00 C ATOM 1724 CE LYS A 113 -2.796 1.663 14.741 1.00 0.00 C ATOM 1725 NZ LYS A 113 -1.669 2.510 14.277 1.00 0.00 N ATOM 0 H LYS A 113 -6.110 -0.308 15.317 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.935 -2.670 16.344 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.061 -1.194 16.909 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -3.669 -0.817 15.309 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.983 1.111 16.371 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.116 0.789 17.860 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -2.974 2.595 16.680 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.937 1.183 16.663 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.684 0.658 14.335 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -3.733 2.062 14.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.656 2.532 13.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.788 3.476 14.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.772 2.116 14.626 1.00 0.00 H new ATOM 1739 N GLU A 114 -6.463 -0.833 18.545 1.00 0.00 N ATOM 1740 CA GLU A 114 -7.046 -0.837 19.898 1.00 0.00 C ATOM 1741 C GLU A 114 -7.793 -2.166 20.174 1.00 0.00 C ATOM 1742 O GLU A 114 -7.713 -2.720 21.274 1.00 0.00 O ATOM 1743 CB GLU A 114 -7.992 0.397 20.100 1.00 0.00 C ATOM 1744 CG GLU A 114 -9.003 0.689 18.949 1.00 0.00 C ATOM 1745 CD GLU A 114 -8.483 1.713 17.907 1.00 0.00 C ATOM 1746 OE1 GLU A 114 -7.804 1.314 16.935 1.00 0.00 O ATOM 1747 OE2 GLU A 114 -8.723 2.932 18.080 1.00 0.00 O ATOM 0 H GLU A 114 -6.869 -0.125 17.933 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.233 -0.757 20.619 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.556 0.249 21.021 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.373 1.282 20.244 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.240 -0.245 18.440 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.932 1.062 19.380 1.00 0.00 H new ATOM 1754 N ASP A 115 -8.483 -2.687 19.147 1.00 0.00 N ATOM 1755 CA ASP A 115 -9.277 -3.935 19.232 1.00 0.00 C ATOM 1756 C ASP A 115 -8.510 -5.126 18.586 1.00 0.00 C ATOM 1757 O ASP A 115 -9.088 -6.169 18.257 1.00 0.00 O ATOM 1758 CB ASP A 115 -10.664 -3.692 18.568 1.00 0.00 C ATOM 1759 CG ASP A 115 -11.704 -4.807 18.825 1.00 0.00 C ATOM 1760 OD1 ASP A 115 -11.975 -5.115 20.006 1.00 0.00 O ATOM 1761 OD2 ASP A 115 -12.271 -5.351 17.852 1.00 0.00 O ATOM 0 H ASP A 115 -8.509 -2.254 18.224 1.00 0.00 H new ATOM 0 HA ASP A 115 -9.437 -4.206 20.276 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -11.066 -2.747 18.933 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.524 -3.585 17.492 1.00 0.00 H new ATOM 1766 N PHE A 116 -7.184 -4.966 18.439 1.00 0.00 N ATOM 1767 CA PHE A 116 -6.263 -6.028 17.970 1.00 0.00 C ATOM 1768 C PHE A 116 -4.971 -6.014 18.802 1.00 0.00 C ATOM 1769 O PHE A 116 -4.754 -5.114 19.619 1.00 0.00 O ATOM 1770 CB PHE A 116 -5.931 -5.865 16.452 1.00 0.00 C ATOM 1771 CG PHE A 116 -6.940 -6.508 15.498 1.00 0.00 C ATOM 1772 CD1 PHE A 116 -8.055 -5.807 15.046 1.00 0.00 C ATOM 1773 CD2 PHE A 116 -6.766 -7.819 15.053 1.00 0.00 C ATOM 1774 CE1 PHE A 116 -8.956 -6.390 14.178 1.00 0.00 C ATOM 1775 CE2 PHE A 116 -7.670 -8.402 14.186 1.00 0.00 C ATOM 1776 CZ PHE A 116 -8.765 -7.687 13.749 1.00 0.00 C ATOM 0 H PHE A 116 -6.711 -4.086 18.644 1.00 0.00 H new ATOM 0 HA PHE A 116 -6.762 -6.988 18.101 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -5.863 -4.802 16.222 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -4.948 -6.296 16.262 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -8.217 -4.793 15.379 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -5.912 -8.387 15.391 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -9.813 -5.829 13.834 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.519 -9.417 13.851 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.472 -8.142 13.072 1.00 0.00 H new ATOM 1786 N PHE A 117 -4.119 -7.027 18.573 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.786 -7.146 19.201 1.00 0.00 C ATOM 1788 C PHE A 117 -1.942 -8.170 18.416 1.00 0.00 C ATOM 1789 O PHE A 117 -2.454 -8.833 17.507 1.00 0.00 O ATOM 1790 CB PHE A 117 -2.908 -7.556 20.707 1.00 0.00 C ATOM 1791 CG PHE A 117 -3.470 -8.968 20.967 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -4.848 -9.219 20.968 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -2.614 -10.042 21.211 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -5.334 -10.497 21.204 1.00 0.00 C ATOM 1795 CE2 PHE A 117 -3.104 -11.307 21.445 1.00 0.00 C ATOM 1796 CZ PHE A 117 -4.458 -11.537 21.443 1.00 0.00 C ATOM 0 H PHE A 117 -4.336 -7.797 17.940 1.00 0.00 H new ATOM 0 HA PHE A 117 -2.290 -6.176 19.169 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.922 -7.486 21.165 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.546 -6.831 21.212 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -5.539 -8.410 20.783 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -1.547 -9.878 21.216 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.399 -10.678 21.201 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -2.421 -12.122 21.631 1.00 0.00 H new ATOM 0 HZ PHE A 117 -4.837 -12.531 21.628 1.00 0.00 H new ATOM 1806 N HIS A 118 -0.643 -8.282 18.746 1.00 0.00 N ATOM 1807 CA HIS A 118 0.216 -9.384 18.256 1.00 0.00 C ATOM 1808 C HIS A 118 0.471 -10.372 19.405 1.00 0.00 C ATOM 1809 O HIS A 118 0.878 -9.976 20.503 1.00 0.00 O ATOM 1810 CB HIS A 118 1.564 -8.865 17.668 1.00 0.00 C ATOM 1811 CG HIS A 118 2.524 -9.971 17.253 1.00 0.00 C ATOM 1812 ND1 HIS A 118 2.358 -10.671 16.061 1.00 0.00 N ATOM 1813 CD2 HIS A 118 3.537 -10.530 17.967 1.00 0.00 C ATOM 1814 CE1 HIS A 118 3.259 -11.646 16.137 1.00 0.00 C ATOM 1815 NE2 HIS A 118 3.983 -11.595 17.256 1.00 0.00 N ATOM 0 H HIS A 118 -0.159 -7.620 19.353 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.306 -9.887 17.442 1.00 0.00 H new ATOM 0 HB2 HIS A 118 1.353 -8.237 16.802 1.00 0.00 H new ATOM 0 HB3 HIS A 118 2.053 -8.233 18.409 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.915 -10.190 18.920 1.00 0.00 H new ATOM 0 HE1 HIS A 118 3.391 -12.399 15.374 1.00 0.00 H new ATOM 0 HE2 HIS A 118 4.730 -12.235 17.526 1.00 0.00 H new ATOM 1823 N CYS A 119 0.209 -11.656 19.139 1.00 0.00 N ATOM 1824 CA CYS A 119 0.523 -12.759 20.060 1.00 0.00 C ATOM 1825 C CYS A 119 1.983 -13.209 19.829 1.00 0.00 C ATOM 1826 O CYS A 119 2.271 -13.880 18.829 1.00 0.00 O ATOM 1827 CB CYS A 119 -0.481 -13.930 19.852 1.00 0.00 C ATOM 1828 SG CYS A 119 -1.646 -14.187 21.217 1.00 0.00 S ATOM 0 H CYS A 119 -0.231 -11.964 18.272 1.00 0.00 H new ATOM 0 HA CYS A 119 0.425 -12.425 21.093 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -1.048 -13.746 18.939 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.083 -14.850 19.697 1.00 0.00 H new ATOM 1833 N LEU A 120 2.887 -12.798 20.737 1.00 0.00 N ATOM 1834 CA LEU A 120 4.337 -13.103 20.655 1.00 0.00 C ATOM 1835 C LEU A 120 4.571 -14.624 20.742 1.00 0.00 C ATOM 1836 O LEU A 120 5.197 -15.219 19.856 1.00 0.00 O ATOM 1837 CB LEU A 120 5.150 -12.370 21.776 1.00 0.00 C ATOM 1838 CG LEU A 120 5.291 -10.806 21.677 1.00 0.00 C ATOM 1839 CD1 LEU A 120 3.943 -10.080 21.870 1.00 0.00 C ATOM 1840 CD2 LEU A 120 6.345 -10.284 22.685 1.00 0.00 C ATOM 0 H LEU A 120 2.636 -12.242 21.554 1.00 0.00 H new ATOM 0 HA LEU A 120 4.694 -12.738 19.692 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.686 -12.604 22.734 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.153 -12.796 21.795 1.00 0.00 H new ATOM 0 HG LEU A 120 5.632 -10.581 20.666 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.095 -9.003 21.793 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.242 -10.404 21.101 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.538 -10.319 22.853 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.426 -9.200 22.599 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.040 -10.546 23.698 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.312 -10.738 22.468 1.00 0.00 H new ATOM 1852 N LYS A 121 4.002 -15.249 21.792 1.00 0.00 N ATOM 1853 CA LYS A 121 4.148 -16.701 22.061 1.00 0.00 C ATOM 1854 C LYS A 121 3.023 -17.508 21.341 1.00 0.00 C ATOM 1855 O LYS A 121 2.445 -18.462 21.877 1.00 0.00 O ATOM 1856 CB LYS A 121 4.166 -16.928 23.605 1.00 0.00 C ATOM 1857 CG LYS A 121 4.608 -18.339 24.072 1.00 0.00 C ATOM 1858 CD LYS A 121 6.040 -18.708 23.620 1.00 0.00 C ATOM 1859 CE LYS A 121 6.443 -20.136 24.025 1.00 0.00 C ATOM 1860 NZ LYS A 121 7.835 -20.464 23.614 1.00 0.00 N ATOM 0 H LYS A 121 3.427 -14.764 22.481 1.00 0.00 H new ATOM 0 HA LYS A 121 5.091 -17.070 21.656 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.832 -16.191 24.054 1.00 0.00 H new ATOM 0 HB3 LYS A 121 3.167 -16.733 23.994 1.00 0.00 H new ATOM 0 HG2 LYS A 121 4.553 -18.389 25.159 1.00 0.00 H new ATOM 0 HG3 LYS A 121 3.909 -19.079 23.683 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.111 -18.609 22.537 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.747 -17.999 24.052 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.349 -20.246 25.105 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.754 -20.849 23.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 8.064 -21.435 23.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.919 -20.385 22.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.496 -19.801 24.067 1.00 0.00 H new ATOM 1874 N CYS A 122 2.728 -17.080 20.108 1.00 0.00 N ATOM 1875 CA CYS A 122 1.866 -17.797 19.151 1.00 0.00 C ATOM 1876 C CYS A 122 2.328 -17.463 17.703 1.00 0.00 C ATOM 1877 O CYS A 122 1.946 -18.149 16.748 1.00 0.00 O ATOM 1878 CB CYS A 122 0.369 -17.438 19.341 1.00 0.00 C ATOM 1879 SG CYS A 122 -0.335 -17.806 20.992 1.00 0.00 S ATOM 0 H CYS A 122 3.090 -16.202 19.735 1.00 0.00 H new ATOM 0 HA CYS A 122 1.962 -18.867 19.333 1.00 0.00 H new ATOM 0 HB2 CYS A 122 0.242 -16.374 19.141 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -0.212 -17.975 18.591 1.00 0.00 H new ATOM 1884 N ASN A 123 3.102 -16.344 17.572 1.00 0.00 N ATOM 1885 CA ASN A 123 3.787 -15.887 16.328 1.00 0.00 C ATOM 1886 C ASN A 123 2.846 -15.215 15.300 1.00 0.00 C ATOM 1887 O ASN A 123 3.316 -14.534 14.378 1.00 0.00 O ATOM 1888 CB ASN A 123 4.648 -17.008 15.661 1.00 0.00 C ATOM 1889 CG ASN A 123 5.804 -17.533 16.542 1.00 0.00 C ATOM 1890 OD1 ASN A 123 6.222 -18.682 16.410 1.00 0.00 O ATOM 1891 ND2 ASN A 123 6.341 -16.705 17.434 1.00 0.00 N ATOM 0 H ASN A 123 3.270 -15.716 18.358 1.00 0.00 H new ATOM 0 HA ASN A 123 4.470 -15.108 16.668 1.00 0.00 H new ATOM 0 HB2 ASN A 123 3.997 -17.843 15.401 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.063 -16.625 14.729 1.00 0.00 H new ATOM 0 HD21 ASN A 123 7.112 -17.020 18.022 1.00 0.00 H new ATOM 0 HD22 ASN A 123 5.981 -15.755 17.530 1.00 0.00 H new ATOM 1898 N LEU A 124 1.530 -15.398 15.463 1.00 0.00 N ATOM 1899 CA LEU A 124 0.500 -14.733 14.643 1.00 0.00 C ATOM 1900 C LEU A 124 -0.126 -13.572 15.453 1.00 0.00 C ATOM 1901 O LEU A 124 -0.094 -13.586 16.693 1.00 0.00 O ATOM 1902 CB LEU A 124 -0.579 -15.778 14.231 1.00 0.00 C ATOM 1903 CG LEU A 124 -1.693 -15.302 13.236 1.00 0.00 C ATOM 1904 CD1 LEU A 124 -1.112 -14.920 11.859 1.00 0.00 C ATOM 1905 CD2 LEU A 124 -2.806 -16.366 13.091 1.00 0.00 C ATOM 0 H LEU A 124 1.142 -16.018 16.174 1.00 0.00 H new ATOM 0 HA LEU A 124 0.943 -14.320 13.737 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.069 -16.632 13.785 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.066 -16.136 15.138 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.138 -14.402 13.661 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.918 -14.596 11.201 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.394 -14.109 11.979 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.613 -15.785 11.422 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.564 -16.007 12.395 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -2.376 -17.293 12.713 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.264 -16.548 14.063 1.00 0.00 H new ATOM 1917 N CYS A 125 -0.671 -12.555 14.756 1.00 0.00 N ATOM 1918 CA CYS A 125 -1.471 -11.488 15.402 1.00 0.00 C ATOM 1919 C CYS A 125 -2.885 -12.047 15.716 1.00 0.00 C ATOM 1920 O CYS A 125 -3.261 -13.101 15.189 1.00 0.00 O ATOM 1921 CB CYS A 125 -1.568 -10.243 14.484 1.00 0.00 C ATOM 1922 SG CYS A 125 -0.138 -9.965 13.382 1.00 0.00 S ATOM 0 H CYS A 125 -0.573 -12.448 13.746 1.00 0.00 H new ATOM 0 HA CYS A 125 -0.985 -11.178 16.327 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -2.465 -10.334 13.871 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -1.699 -9.361 15.110 1.00 0.00 H new ATOM 1927 N LEU A 126 -3.673 -11.349 16.551 1.00 0.00 N ATOM 1928 CA LEU A 126 -5.007 -11.839 16.954 1.00 0.00 C ATOM 1929 C LEU A 126 -5.951 -10.677 17.339 1.00 0.00 C ATOM 1930 O LEU A 126 -5.498 -9.566 17.644 1.00 0.00 O ATOM 1931 CB LEU A 126 -4.872 -12.837 18.142 1.00 0.00 C ATOM 1932 CG LEU A 126 -6.136 -13.705 18.447 1.00 0.00 C ATOM 1933 CD1 LEU A 126 -6.333 -14.784 17.362 1.00 0.00 C ATOM 1934 CD2 LEU A 126 -6.112 -14.303 19.874 1.00 0.00 C ATOM 0 H LEU A 126 -3.414 -10.450 16.959 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.446 -12.352 16.098 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.036 -13.506 17.937 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -4.617 -12.273 19.039 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.003 -13.045 18.417 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -7.218 -15.376 17.594 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.461 -14.305 16.391 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.459 -15.434 17.333 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.012 -14.897 20.035 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.233 -14.938 19.988 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.074 -13.496 20.606 1.00 0.00 H new ATOM 1946 N ALA A 127 -7.265 -10.977 17.325 1.00 0.00 N ATOM 1947 CA ALA A 127 -8.334 -10.049 17.724 1.00 0.00 C ATOM 1948 C ALA A 127 -8.488 -9.990 19.259 1.00 0.00 C ATOM 1949 O ALA A 127 -8.302 -11.002 19.952 1.00 0.00 O ATOM 1950 CB ALA A 127 -9.659 -10.487 17.075 1.00 0.00 C ATOM 0 H ALA A 127 -7.616 -11.888 17.030 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.068 -9.049 17.381 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -10.453 -9.800 17.369 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.554 -10.476 15.990 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -9.910 -11.495 17.405 1.00 0.00 H new ATOM 1956 N MET A 128 -8.872 -8.803 19.763 1.00 0.00 N ATOM 1957 CA MET A 128 -9.143 -8.563 21.202 1.00 0.00 C ATOM 1958 C MET A 128 -10.390 -9.353 21.669 1.00 0.00 C ATOM 1959 O MET A 128 -10.539 -9.671 22.855 1.00 0.00 O ATOM 1960 CB MET A 128 -9.346 -7.042 21.429 1.00 0.00 C ATOM 1961 CG MET A 128 -9.491 -6.583 22.888 1.00 0.00 C ATOM 1962 SD MET A 128 -7.981 -6.793 23.865 1.00 0.00 S ATOM 1963 CE MET A 128 -6.811 -5.758 22.977 1.00 0.00 C ATOM 0 H MET A 128 -9.005 -7.974 19.183 1.00 0.00 H new ATOM 0 HA MET A 128 -8.294 -8.911 21.790 1.00 0.00 H new ATOM 0 HB2 MET A 128 -8.500 -6.515 20.987 1.00 0.00 H new ATOM 0 HB3 MET A 128 -10.236 -6.731 20.883 1.00 0.00 H new ATOM 0 HG2 MET A 128 -9.781 -5.532 22.903 1.00 0.00 H new ATOM 0 HG3 MET A 128 -10.299 -7.143 23.358 1.00 0.00 H new ATOM 0 HE1 MET A 128 -5.968 -5.522 23.626 1.00 0.00 H new ATOM 0 HE2 MET A 128 -6.453 -6.288 22.095 1.00 0.00 H new ATOM 0 HE3 MET A 128 -7.302 -4.834 22.670 1.00 0.00 H new ATOM 1973 N ASN A 129 -11.273 -9.666 20.708 1.00 0.00 N ATOM 1974 CA ASN A 129 -12.515 -10.429 20.950 1.00 0.00 C ATOM 1975 C ASN A 129 -12.216 -11.939 21.068 1.00 0.00 C ATOM 1976 O ASN A 129 -12.965 -12.683 21.708 1.00 0.00 O ATOM 1977 CB ASN A 129 -13.520 -10.196 19.784 1.00 0.00 C ATOM 1978 CG ASN A 129 -13.661 -8.721 19.387 1.00 0.00 C ATOM 1979 OD1 ASN A 129 -12.910 -8.233 18.549 1.00 0.00 O ATOM 1980 ND2 ASN A 129 -14.609 -8.009 19.977 1.00 0.00 N ATOM 0 H ASN A 129 -11.147 -9.396 19.732 1.00 0.00 H new ATOM 0 HA ASN A 129 -12.950 -10.080 21.886 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -13.196 -10.769 18.915 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -14.497 -10.582 20.074 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -14.731 -7.025 19.738 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -15.217 -8.445 20.670 1.00 0.00 H new ATOM 1987 N LEU A 130 -11.111 -12.376 20.432 1.00 0.00 N ATOM 1988 CA LEU A 130 -10.787 -13.804 20.256 1.00 0.00 C ATOM 1989 C LEU A 130 -10.022 -14.349 21.485 1.00 0.00 C ATOM 1990 O LEU A 130 -10.231 -15.508 21.883 1.00 0.00 O ATOM 1991 CB LEU A 130 -9.967 -13.983 18.928 1.00 0.00 C ATOM 1992 CG LEU A 130 -10.015 -15.385 18.205 1.00 0.00 C ATOM 1993 CD1 LEU A 130 -9.307 -16.509 19.000 1.00 0.00 C ATOM 1994 CD2 LEU A 130 -11.467 -15.764 17.858 1.00 0.00 C ATOM 0 H LEU A 130 -10.418 -11.747 20.026 1.00 0.00 H new ATOM 0 HA LEU A 130 -11.707 -14.383 20.177 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -10.313 -13.231 18.219 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.924 -13.757 19.148 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.450 -15.281 17.279 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -9.377 -17.446 18.447 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -8.258 -16.249 19.142 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -9.787 -16.625 19.972 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.481 -16.734 17.360 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -12.058 -15.817 18.773 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -11.891 -15.010 17.195 1.00 0.00 H new ATOM 2006 N GLN A 131 -9.146 -13.506 22.075 1.00 0.00 N ATOM 2007 CA GLN A 131 -8.257 -13.906 23.193 1.00 0.00 C ATOM 2008 C GLN A 131 -9.054 -14.508 24.380 1.00 0.00 C ATOM 2009 O GLN A 131 -10.091 -13.974 24.790 1.00 0.00 O ATOM 2010 CB GLN A 131 -7.392 -12.709 23.661 1.00 0.00 C ATOM 2011 CG GLN A 131 -8.196 -11.485 24.121 1.00 0.00 C ATOM 2012 CD GLN A 131 -7.323 -10.365 24.671 1.00 0.00 C ATOM 2013 OE1 GLN A 131 -6.873 -9.493 23.930 1.00 0.00 O ATOM 2014 NE2 GLN A 131 -7.076 -10.383 25.974 1.00 0.00 N ATOM 0 H GLN A 131 -9.034 -12.532 21.792 1.00 0.00 H new ATOM 0 HA GLN A 131 -7.595 -14.687 22.819 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -6.753 -13.037 24.481 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -6.735 -12.410 22.844 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -8.778 -11.104 23.282 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -8.907 -11.793 24.888 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.467 -11.123 26.557 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -6.495 -9.657 26.393 1.00 0.00 H new ATOM 2023 N GLY A 132 -8.544 -15.623 24.920 1.00 0.00 N ATOM 2024 CA GLY A 132 -9.275 -16.440 25.898 1.00 0.00 C ATOM 2025 C GLY A 132 -9.577 -17.826 25.337 1.00 0.00 C ATOM 2026 O GLY A 132 -9.691 -18.800 26.084 1.00 0.00 O ATOM 0 H GLY A 132 -7.617 -15.983 24.692 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -8.687 -16.534 26.811 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -10.206 -15.943 26.169 1.00 0.00 H new ATOM 2030 N ARG A 133 -9.728 -17.898 23.996 1.00 0.00 N ATOM 2031 CA ARG A 133 -9.851 -19.175 23.249 1.00 0.00 C ATOM 2032 C ARG A 133 -8.448 -19.644 22.770 1.00 0.00 C ATOM 2033 O ARG A 133 -8.311 -20.649 22.063 1.00 0.00 O ATOM 2034 CB ARG A 133 -10.807 -18.978 22.031 1.00 0.00 C ATOM 2035 CG ARG A 133 -11.364 -20.287 21.417 1.00 0.00 C ATOM 2036 CD ARG A 133 -12.027 -20.077 20.047 1.00 0.00 C ATOM 2037 NE ARG A 133 -11.034 -19.735 19.006 1.00 0.00 N ATOM 2038 CZ ARG A 133 -11.322 -19.407 17.735 1.00 0.00 C ATOM 2039 NH1 ARG A 133 -12.576 -19.236 17.334 1.00 0.00 N ATOM 2040 NH2 ARG A 133 -10.333 -19.222 16.874 1.00 0.00 N ATOM 0 H ARG A 133 -9.768 -17.073 23.398 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.268 -19.941 23.903 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -11.645 -18.356 22.343 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -10.274 -18.429 21.255 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -10.552 -21.007 21.314 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -12.091 -20.722 22.103 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -12.560 -20.983 19.758 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -12.768 -19.281 20.119 1.00 0.00 H new ATOM 0 HE ARG A 133 -10.050 -19.749 19.275 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -13.343 -19.353 17.996 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -12.772 -18.987 16.364 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -9.365 -19.329 17.178 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -10.539 -18.973 15.907 1.00 0.00 H new ATOM 2054 N HIS A 134 -7.407 -18.895 23.182 1.00 0.00 N ATOM 2055 CA HIS A 134 -6.021 -19.090 22.722 1.00 0.00 C ATOM 2056 C HIS A 134 -5.170 -19.729 23.826 1.00 0.00 C ATOM 2057 O HIS A 134 -5.250 -19.315 24.990 1.00 0.00 O ATOM 2058 CB HIS A 134 -5.396 -17.708 22.305 1.00 0.00 C ATOM 2059 CG HIS A 134 -4.924 -17.624 20.878 1.00 0.00 C ATOM 2060 ND1 HIS A 134 -3.795 -16.907 20.518 1.00 0.00 N ATOM 2061 CD2 HIS A 134 -5.531 -18.078 19.752 1.00 0.00 C ATOM 2062 CE1 HIS A 134 -3.769 -16.934 19.205 1.00 0.00 C ATOM 2063 NE2 HIS A 134 -4.791 -17.631 18.697 1.00 0.00 N ATOM 0 H HIS A 134 -7.507 -18.131 23.850 1.00 0.00 H new ATOM 0 HA HIS A 134 -6.034 -19.757 21.860 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -6.137 -16.927 22.473 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -4.554 -17.495 22.963 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -6.428 -18.678 19.701 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -3.011 -16.450 18.606 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -4.981 -17.797 17.709 1.00 0.00 H new ATOM 2071 N LYS A 135 -4.355 -20.736 23.459 1.00 0.00 N ATOM 2072 CA LYS A 135 -3.192 -21.118 24.268 1.00 0.00 C ATOM 2073 C LYS A 135 -2.075 -20.120 23.900 1.00 0.00 C ATOM 2074 O LYS A 135 -1.825 -19.857 22.711 1.00 0.00 O ATOM 2075 CB LYS A 135 -2.760 -22.603 24.049 1.00 0.00 C ATOM 2076 CG LYS A 135 -2.169 -22.951 22.658 1.00 0.00 C ATOM 2077 CD LYS A 135 -1.702 -24.429 22.545 1.00 0.00 C ATOM 2078 CE LYS A 135 -0.679 -24.834 23.633 1.00 0.00 C ATOM 2079 NZ LYS A 135 0.545 -23.978 23.636 1.00 0.00 N ATOM 0 H LYS A 135 -4.482 -21.293 22.614 1.00 0.00 H new ATOM 0 HA LYS A 135 -3.430 -21.068 25.331 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -2.021 -22.859 24.808 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.628 -23.240 24.221 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.919 -22.754 21.892 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -1.324 -22.293 22.454 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -2.571 -25.083 22.612 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -1.258 -24.588 21.562 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -1.157 -24.777 24.611 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -0.388 -25.873 23.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 1.387 -24.576 23.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 0.491 -23.292 22.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 0.610 -23.469 24.540 1.00 0.00 H new ATOM 2093 N CYS A 136 -1.473 -19.496 24.911 1.00 0.00 N ATOM 2094 CA CYS A 136 -0.501 -18.405 24.713 1.00 0.00 C ATOM 2095 C CYS A 136 0.781 -18.650 25.517 1.00 0.00 C ATOM 2096 O CYS A 136 1.664 -17.795 25.554 1.00 0.00 O ATOM 2097 CB CYS A 136 -1.177 -17.069 25.073 1.00 0.00 C ATOM 2098 SG CYS A 136 -2.602 -16.695 23.996 1.00 0.00 S ATOM 0 H CYS A 136 -1.640 -19.726 25.891 1.00 0.00 H new ATOM 0 HA CYS A 136 -0.194 -18.367 23.668 1.00 0.00 H new ATOM 0 HB2 CYS A 136 -1.509 -17.101 26.111 1.00 0.00 H new ATOM 0 HB3 CYS A 136 -0.447 -16.264 24.997 1.00 0.00 H new ATOM 2103 N ILE A 137 0.860 -19.828 26.159 1.00 0.00 N ATOM 2104 CA ILE A 137 2.083 -20.345 26.793 1.00 0.00 C ATOM 2105 C ILE A 137 2.515 -21.576 25.959 1.00 0.00 C ATOM 2106 O ILE A 137 1.804 -22.609 25.997 1.00 0.00 O ATOM 2107 CB ILE A 137 1.876 -20.722 28.331 1.00 0.00 C ATOM 2108 CG1 ILE A 137 1.572 -19.459 29.225 1.00 0.00 C ATOM 2109 CG2 ILE A 137 3.106 -21.486 28.898 1.00 0.00 C ATOM 2110 CD1 ILE A 137 0.176 -18.868 29.077 1.00 0.00 C ATOM 2111 OXT ILE A 137 3.517 -21.491 25.220 1.00 0.00 O ATOM 0 H ILE A 137 0.063 -20.457 26.253 1.00 0.00 H new ATOM 0 HA ILE A 137 2.855 -19.575 26.800 1.00 0.00 H new ATOM 0 HB ILE A 137 1.004 -21.375 28.369 1.00 0.00 H new ATOM 0 HG12 ILE A 137 1.723 -19.731 30.270 1.00 0.00 H new ATOM 0 HG13 ILE A 137 2.302 -18.685 28.988 1.00 0.00 H new ATOM 0 HG21 ILE A 137 2.933 -21.728 29.947 1.00 0.00 H new ATOM 0 HG22 ILE A 137 3.255 -22.406 28.333 1.00 0.00 H new ATOM 0 HG23 ILE A 137 3.994 -20.860 28.812 1.00 0.00 H new ATOM 0 HD11 ILE A 137 0.074 -18.005 29.736 1.00 0.00 H new ATOM 0 HD12 ILE A 137 0.020 -18.556 28.044 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -0.567 -19.619 29.345 1.00 0.00 H new TER 2123 ILE A 137 HETATM 2124 ZN ZN A 138 4.553 -6.159 -13.645 1.00 0.00 ZN HETATM 2125 ZN ZN A 139 -7.952 -2.403 -7.142 1.00 0.00 ZN HETATM 2126 ZN ZN A 140 0.596 15.387 -8.420 1.00 0.00 ZN HETATM 2127 ZN ZN A 141 3.724 -1.376 6.830 1.00 0.00 ZN HETATM 2128 ZN ZN A 142 2.058 -9.700 14.231 1.00 0.00 ZN HETATM 2129 ZN ZN A 143 -2.120 -16.424 21.699 1.00 0.00 ZN