USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 563 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 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 79 SER OG : rot 180:sc= -0.212 USER MOD Set 2.1: A 47 THR OG1 : rot -140:sc= 0.956 USER MOD Set 2.2: A 72 GLN : amide:sc= -3.14! K(o=-2.2!,f=1.4) USER MOD Set 3.1: A 16 SER OG : rot -160:sc= 1.23 USER MOD Set 3.2: A 37 GLN : amide:sc= -2.8! C(o=-1.6!,f=-6.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0368 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.024 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HE2:sc= -4.08! C(o=-4.1!,f=-4.4!) USER MOD Single : A 22 LYS NZ :NH3+ -152:sc= -0.172 (180deg=-0.756) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc=-0.000217 (180deg=-0.0636) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 29 GLN : amide:sc= -1.67 K(o=-1.7,f=-5.1!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -42:sc= 0.717 USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= 1.29 (180deg=0.667) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0.0028) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 29:sc= 0.0956 USER MOD Single : A 59 LYS NZ :NH3+ -123:sc= 1.71 (180deg=-0.676) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.5! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0403 X(o=-0.04,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.979 5.463 -32.303 1.00 0.00 N ATOM 2 CA GLY A 1 -35.521 4.131 -32.652 1.00 0.00 C ATOM 3 C GLY A 1 -34.078 4.116 -33.113 1.00 0.00 C ATOM 4 O GLY A 1 -33.676 4.932 -33.943 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.971 5.419 -31.994 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.393 5.841 -31.531 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.902 6.085 -33.133 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.630 3.475 -31.788 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -36.155 3.727 -33.441 1.00 0.00 H new ATOM 8 N SER A 2 -33.295 3.187 -32.573 1.00 0.00 N ATOM 9 CA SER A 2 -31.886 3.073 -32.931 1.00 0.00 C ATOM 10 C SER A 2 -31.398 1.637 -32.766 1.00 0.00 C ATOM 11 O SER A 2 -32.152 0.758 -32.349 1.00 0.00 O ATOM 12 CB SER A 2 -31.041 4.012 -32.068 1.00 0.00 C ATOM 13 OG SER A 2 -31.449 5.360 -32.231 1.00 0.00 O ATOM 0 H SER A 2 -33.613 2.503 -31.886 1.00 0.00 H new ATOM 0 HA SER A 2 -31.779 3.357 -33.978 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.130 3.726 -31.020 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.990 3.912 -32.338 1.00 0.00 H new ATOM 0 HG SER A 2 -30.895 5.940 -31.668 1.00 0.00 H new ATOM 19 N SER A 3 -30.131 1.407 -33.097 1.00 0.00 N ATOM 20 CA SER A 3 -29.543 0.077 -32.990 1.00 0.00 C ATOM 21 C SER A 3 -28.039 0.127 -33.241 1.00 0.00 C ATOM 22 O SER A 3 -27.549 0.981 -33.980 1.00 0.00 O ATOM 23 CB SER A 3 -30.205 -0.879 -33.984 1.00 0.00 C ATOM 24 OG SER A 3 -30.172 -0.351 -35.299 1.00 0.00 O ATOM 0 H SER A 3 -29.493 2.124 -33.441 1.00 0.00 H new ATOM 0 HA SER A 3 -29.714 -0.288 -31.977 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.694 -1.842 -33.962 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.238 -1.059 -33.687 1.00 0.00 H new ATOM 0 HG SER A 3 -30.600 -0.981 -35.915 1.00 0.00 H new ATOM 30 N GLY A 4 -27.310 -0.795 -32.620 1.00 0.00 N ATOM 31 CA GLY A 4 -25.869 -0.839 -32.787 1.00 0.00 C ATOM 32 C GLY A 4 -25.244 -2.047 -32.118 1.00 0.00 C ATOM 33 O GLY A 4 -25.931 -3.025 -31.821 1.00 0.00 O ATOM 0 H GLY A 4 -27.692 -1.513 -32.004 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.630 -0.852 -33.850 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.431 0.069 -32.373 1.00 0.00 H new ATOM 37 N SER A 5 -23.938 -1.981 -31.881 1.00 0.00 N ATOM 38 CA SER A 5 -23.219 -3.080 -31.247 1.00 0.00 C ATOM 39 C SER A 5 -22.367 -2.574 -30.087 1.00 0.00 C ATOM 40 O SER A 5 -22.204 -1.368 -29.901 1.00 0.00 O ATOM 41 CB SER A 5 -22.336 -3.797 -32.270 1.00 0.00 C ATOM 42 OG SER A 5 -21.996 -5.099 -31.826 1.00 0.00 O ATOM 0 H SER A 5 -23.356 -1.178 -32.119 1.00 0.00 H new ATOM 0 HA SER A 5 -23.953 -3.784 -30.855 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.858 -3.860 -33.225 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.428 -3.219 -32.440 1.00 0.00 H new ATOM 0 HG SER A 5 -21.433 -5.537 -32.498 1.00 0.00 H new ATOM 48 N SER A 6 -21.824 -3.506 -29.310 1.00 0.00 N ATOM 49 CA SER A 6 -20.991 -3.156 -28.165 1.00 0.00 C ATOM 50 C SER A 6 -20.330 -4.398 -27.575 1.00 0.00 C ATOM 51 O SER A 6 -20.635 -5.524 -27.967 1.00 0.00 O ATOM 52 CB SER A 6 -21.827 -2.452 -27.095 1.00 0.00 C ATOM 53 OG SER A 6 -20.998 -1.800 -26.148 1.00 0.00 O ATOM 0 H SER A 6 -21.946 -4.509 -29.452 1.00 0.00 H new ATOM 0 HA SER A 6 -20.210 -2.478 -28.509 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.488 -1.725 -27.566 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.462 -3.179 -26.588 1.00 0.00 H new ATOM 0 HG SER A 6 -21.556 -1.356 -25.476 1.00 0.00 H new ATOM 59 N GLY A 7 -19.422 -4.184 -26.627 1.00 0.00 N ATOM 60 CA GLY A 7 -18.731 -5.294 -25.997 1.00 0.00 C ATOM 61 C GLY A 7 -17.821 -4.846 -24.871 1.00 0.00 C ATOM 62 O GLY A 7 -16.813 -4.180 -25.105 1.00 0.00 O ATOM 0 H GLY A 7 -19.153 -3.262 -26.284 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.464 -6.001 -25.608 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.143 -5.824 -26.746 1.00 0.00 H new ATOM 66 N LYS A 8 -18.177 -5.212 -23.644 1.00 0.00 N ATOM 67 CA LYS A 8 -17.385 -4.844 -22.476 1.00 0.00 C ATOM 68 C LYS A 8 -17.292 -6.007 -21.493 1.00 0.00 C ATOM 69 O LYS A 8 -18.239 -6.773 -21.310 1.00 0.00 O ATOM 70 CB LYS A 8 -17.998 -3.625 -21.783 1.00 0.00 C ATOM 71 CG LYS A 8 -17.867 -2.340 -22.583 1.00 0.00 C ATOM 72 CD LYS A 8 -16.597 -1.587 -22.225 1.00 0.00 C ATOM 73 CE LYS A 8 -16.737 -0.856 -20.899 1.00 0.00 C ATOM 74 NZ LYS A 8 -15.433 -0.734 -20.192 1.00 0.00 N ATOM 0 H LYS A 8 -19.009 -5.763 -23.433 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.379 -4.595 -22.814 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.054 -3.819 -21.593 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.519 -3.490 -20.813 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -17.865 -2.572 -23.648 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -18.733 -1.704 -22.396 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.762 -2.285 -22.170 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.363 -0.871 -23.013 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.149 0.138 -21.074 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.446 -1.388 -20.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.571 -0.230 -19.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.051 -1.682 -20.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.764 -0.204 -20.786 1.00 0.00 H new ATOM 88 N PRO A 9 -16.126 -6.143 -20.845 1.00 0.00 N ATOM 89 CA PRO A 9 -15.883 -7.209 -19.868 1.00 0.00 C ATOM 90 C PRO A 9 -16.686 -7.015 -18.586 1.00 0.00 C ATOM 91 O PRO A 9 -16.280 -6.268 -17.696 1.00 0.00 O ATOM 92 CB PRO A 9 -14.384 -7.093 -19.583 1.00 0.00 C ATOM 93 CG PRO A 9 -14.049 -5.674 -19.886 1.00 0.00 C ATOM 94 CD PRO A 9 -14.955 -5.266 -21.014 1.00 0.00 C ATOM 0 HA PRO A 9 -16.185 -8.186 -20.247 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.158 -7.340 -18.546 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.808 -7.777 -20.206 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.205 -5.041 -19.012 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.002 -5.573 -20.171 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.229 -4.213 -20.949 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.480 -5.412 -21.984 1.00 0.00 H new ATOM 102 N ILE A 10 -17.826 -7.692 -18.500 1.00 0.00 N ATOM 103 CA ILE A 10 -18.684 -7.594 -17.325 1.00 0.00 C ATOM 104 C ILE A 10 -17.859 -7.528 -16.045 1.00 0.00 C ATOM 105 O ILE A 10 -18.253 -6.886 -15.071 1.00 0.00 O ATOM 106 CB ILE A 10 -19.654 -8.788 -17.236 1.00 0.00 C ATOM 107 CG1 ILE A 10 -20.496 -8.695 -15.962 1.00 0.00 C ATOM 108 CG2 ILE A 10 -18.884 -10.099 -17.275 1.00 0.00 C ATOM 109 CD1 ILE A 10 -21.850 -9.358 -16.083 1.00 0.00 C ATOM 0 H ILE A 10 -18.177 -8.314 -19.229 1.00 0.00 H new ATOM 0 HA ILE A 10 -19.260 -6.675 -17.431 1.00 0.00 H new ATOM 0 HB ILE A 10 -20.325 -8.758 -18.095 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -19.948 -9.154 -15.139 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -20.636 -7.645 -15.705 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.583 -10.933 -17.211 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.324 -10.165 -18.208 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -18.192 -10.140 -16.434 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -22.392 -9.253 -15.143 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -22.417 -8.883 -16.884 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -21.718 -10.416 -16.310 1.00 0.00 H new ATOM 121 N LYS A 11 -16.709 -8.194 -16.054 1.00 0.00 N ATOM 122 CA LYS A 11 -15.824 -8.209 -14.895 1.00 0.00 C ATOM 123 C LYS A 11 -16.425 -9.035 -13.762 1.00 0.00 C ATOM 124 O LYS A 11 -16.558 -8.557 -12.636 1.00 0.00 O ATOM 125 CB LYS A 11 -15.557 -6.782 -14.413 1.00 0.00 C ATOM 126 CG LYS A 11 -14.383 -6.673 -13.456 1.00 0.00 C ATOM 127 CD LYS A 11 -14.483 -5.429 -12.589 1.00 0.00 C ATOM 128 CE LYS A 11 -13.958 -4.200 -13.314 1.00 0.00 C ATOM 129 NZ LYS A 11 -14.025 -2.981 -12.461 1.00 0.00 N ATOM 0 H LYS A 11 -16.368 -8.731 -16.852 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.882 -8.667 -15.195 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.371 -6.144 -15.277 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.452 -6.400 -13.922 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.347 -7.558 -12.821 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.452 -6.649 -14.022 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.522 -5.267 -12.302 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.918 -5.579 -11.669 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.926 -4.372 -13.620 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.538 -4.039 -14.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.658 -2.165 -12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.013 -2.801 -12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.451 -3.124 -11.606 1.00 0.00 H new ATOM 143 N ILE A 12 -16.785 -10.277 -14.068 1.00 0.00 N ATOM 144 CA ILE A 12 -17.369 -11.170 -13.075 1.00 0.00 C ATOM 145 C ILE A 12 -16.303 -11.712 -12.129 1.00 0.00 C ATOM 146 O ILE A 12 -16.370 -11.504 -10.917 1.00 0.00 O ATOM 147 CB ILE A 12 -18.099 -12.352 -13.740 1.00 0.00 C ATOM 148 CG1 ILE A 12 -19.370 -11.866 -14.439 1.00 0.00 C ATOM 149 CG2 ILE A 12 -18.431 -13.418 -12.706 1.00 0.00 C ATOM 150 CD1 ILE A 12 -20.030 -12.924 -15.295 1.00 0.00 C ATOM 0 H ILE A 12 -16.682 -10.688 -14.996 1.00 0.00 H new ATOM 0 HA ILE A 12 -18.090 -10.582 -12.507 1.00 0.00 H new ATOM 0 HB ILE A 12 -17.441 -12.792 -14.489 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -20.080 -11.523 -13.687 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -19.126 -11.006 -15.062 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -18.947 -14.247 -13.191 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -17.510 -13.781 -12.249 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -19.074 -12.991 -11.937 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -20.925 -12.510 -15.760 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -19.336 -13.250 -16.070 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -20.305 -13.776 -14.673 1.00 0.00 H new ATOM 162 N ARG A 13 -15.320 -12.407 -12.690 1.00 0.00 N ATOM 163 CA ARG A 13 -14.239 -12.979 -11.897 1.00 0.00 C ATOM 164 C ARG A 13 -13.332 -11.884 -11.344 1.00 0.00 C ATOM 165 O ARG A 13 -13.515 -10.704 -11.640 1.00 0.00 O ATOM 166 CB ARG A 13 -13.419 -13.956 -12.742 1.00 0.00 C ATOM 167 CG ARG A 13 -12.714 -13.300 -13.918 1.00 0.00 C ATOM 168 CD ARG A 13 -11.932 -14.316 -14.736 1.00 0.00 C ATOM 169 NE ARG A 13 -11.064 -13.675 -15.721 1.00 0.00 N ATOM 170 CZ ARG A 13 -10.493 -14.324 -16.729 1.00 0.00 C ATOM 171 NH1 ARG A 13 -10.696 -15.625 -16.886 1.00 0.00 N ATOM 172 NH2 ARG A 13 -9.716 -13.671 -17.584 1.00 0.00 N ATOM 0 H ARG A 13 -15.250 -12.588 -13.691 1.00 0.00 H new ATOM 0 HA ARG A 13 -14.683 -13.517 -11.059 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.676 -14.438 -12.107 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -14.077 -14.741 -13.115 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.448 -12.806 -14.555 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.038 -12.527 -13.553 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.330 -14.932 -14.069 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.627 -14.983 -15.245 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.887 -12.675 -15.629 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.293 -16.131 -16.231 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.256 -16.120 -17.662 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.557 -12.670 -17.467 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.278 -14.170 -18.358 1.00 0.00 H new ATOM 186 N GLY A 14 -12.354 -12.283 -10.537 1.00 0.00 N ATOM 187 CA GLY A 14 -11.434 -11.324 -9.955 1.00 0.00 C ATOM 188 C GLY A 14 -11.856 -10.884 -8.567 1.00 0.00 C ATOM 189 O GLY A 14 -12.118 -9.707 -8.318 1.00 0.00 O ATOM 0 H GLY A 14 -12.182 -13.254 -10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.438 -11.764 -9.906 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.365 -10.451 -10.604 1.00 0.00 H new ATOM 193 N PRO A 15 -11.929 -11.846 -7.634 1.00 0.00 N ATOM 194 CA PRO A 15 -12.324 -11.576 -6.248 1.00 0.00 C ATOM 195 C PRO A 15 -11.266 -10.782 -5.489 1.00 0.00 C ATOM 196 O PRO A 15 -10.183 -10.515 -6.009 1.00 0.00 O ATOM 197 CB PRO A 15 -12.479 -12.974 -5.645 1.00 0.00 C ATOM 198 CG PRO A 15 -11.594 -13.843 -6.470 1.00 0.00 C ATOM 199 CD PRO A 15 -11.631 -13.270 -7.860 1.00 0.00 C ATOM 0 HA PRO A 15 -13.229 -10.970 -6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.182 -12.988 -4.596 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -13.515 -13.311 -5.687 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.577 -13.849 -6.077 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.945 -14.875 -6.464 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.680 -13.405 -8.376 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.396 -13.748 -8.472 1.00 0.00 H new ATOM 207 N SER A 16 -11.587 -10.408 -4.254 1.00 0.00 N ATOM 208 CA SER A 16 -10.666 -9.641 -3.424 1.00 0.00 C ATOM 209 C SER A 16 -9.288 -10.295 -3.396 1.00 0.00 C ATOM 210 O SER A 16 -9.148 -11.459 -3.019 1.00 0.00 O ATOM 211 CB SER A 16 -11.212 -9.516 -2.000 1.00 0.00 C ATOM 212 OG SER A 16 -12.315 -8.627 -1.954 1.00 0.00 O ATOM 0 H SER A 16 -12.478 -10.624 -3.807 1.00 0.00 H new ATOM 0 HA SER A 16 -10.569 -8.645 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.516 -10.497 -1.636 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.425 -9.159 -1.335 1.00 0.00 H new ATOM 0 HG SER A 16 -12.445 -8.315 -1.034 1.00 0.00 H new ATOM 218 N HIS A 17 -8.272 -9.538 -3.797 1.00 0.00 N ATOM 219 CA HIS A 17 -6.903 -10.043 -3.818 1.00 0.00 C ATOM 220 C HIS A 17 -6.079 -9.425 -2.693 1.00 0.00 C ATOM 221 O HIS A 17 -6.365 -8.318 -2.236 1.00 0.00 O ATOM 222 CB HIS A 17 -6.249 -9.746 -5.168 1.00 0.00 C ATOM 223 CG HIS A 17 -7.189 -9.860 -6.328 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.580 -8.778 -7.088 1.00 0.00 N ATOM 225 CD2 HIS A 17 -7.816 -10.936 -6.857 1.00 0.00 C ATOM 226 CE1 HIS A 17 -8.408 -9.184 -8.034 1.00 0.00 C ATOM 227 NE2 HIS A 17 -8.568 -10.490 -7.916 1.00 0.00 N ATOM 0 H HIS A 17 -8.370 -8.573 -4.112 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.937 -11.122 -3.669 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.832 -8.739 -5.147 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.416 -10.433 -5.317 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.277 -7.815 -6.943 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.739 -11.956 -6.511 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.875 -8.555 -8.778 1.00 0.00 H new ATOM 236 N CYS A 18 -5.056 -10.147 -2.250 1.00 0.00 N ATOM 237 CA CYS A 18 -4.190 -9.671 -1.178 1.00 0.00 C ATOM 238 C CYS A 18 -3.512 -8.361 -1.567 1.00 0.00 C ATOM 239 O CYS A 18 -3.226 -8.122 -2.740 1.00 0.00 O ATOM 240 CB CYS A 18 -3.133 -10.725 -0.842 1.00 0.00 C ATOM 241 SG CYS A 18 -2.162 -10.353 0.654 1.00 0.00 S ATOM 0 H CYS A 18 -4.806 -11.065 -2.617 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.808 -9.492 -0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.625 -11.689 -0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.453 -10.825 -1.688 1.00 0.00 H new ATOM 246 N ALA A 19 -3.259 -7.515 -0.574 1.00 0.00 N ATOM 247 CA ALA A 19 -2.612 -6.230 -0.811 1.00 0.00 C ATOM 248 C ALA A 19 -1.107 -6.323 -0.589 1.00 0.00 C ATOM 249 O ALA A 19 -0.405 -5.313 -0.592 1.00 0.00 O ATOM 250 CB ALA A 19 -3.216 -5.161 0.089 1.00 0.00 C ATOM 0 H ALA A 19 -3.492 -7.696 0.402 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.782 -5.952 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.724 -4.207 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.281 -5.067 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.076 -5.443 1.133 1.00 0.00 H new ATOM 256 N GLY A 20 -0.616 -7.544 -0.395 1.00 0.00 N ATOM 257 CA GLY A 20 0.804 -7.746 -0.173 1.00 0.00 C ATOM 258 C GLY A 20 1.447 -8.584 -1.260 1.00 0.00 C ATOM 259 O GLY A 20 2.486 -8.213 -1.807 1.00 0.00 O ATOM 0 H GLY A 20 -1.176 -8.396 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.302 -6.778 -0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.952 -8.232 0.792 1.00 0.00 H new ATOM 263 N CYS A 21 0.830 -9.718 -1.574 1.00 0.00 N ATOM 264 CA CYS A 21 1.349 -10.613 -2.601 1.00 0.00 C ATOM 265 C CYS A 21 0.476 -10.569 -3.852 1.00 0.00 C ATOM 266 O CYS A 21 0.830 -11.130 -4.890 1.00 0.00 O ATOM 267 CB CYS A 21 1.425 -12.045 -2.069 1.00 0.00 C ATOM 268 SG CYS A 21 -0.182 -12.735 -1.559 1.00 0.00 S ATOM 0 H CYS A 21 -0.031 -10.039 -1.131 1.00 0.00 H new ATOM 0 HA CYS A 21 2.352 -10.278 -2.867 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.855 -12.685 -2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.105 -12.069 -1.218 1.00 0.00 H new ATOM 273 N LYS A 22 -0.666 -9.899 -3.747 1.00 0.00 N ATOM 274 CA LYS A 22 -1.590 -9.779 -4.869 1.00 0.00 C ATOM 275 C LYS A 22 -2.103 -11.150 -5.300 1.00 0.00 C ATOM 276 O LYS A 22 -2.148 -11.459 -6.490 1.00 0.00 O ATOM 277 CB LYS A 22 -0.905 -9.085 -6.048 1.00 0.00 C ATOM 278 CG LYS A 22 -0.895 -7.570 -5.940 1.00 0.00 C ATOM 279 CD LYS A 22 0.321 -7.074 -5.176 1.00 0.00 C ATOM 280 CE LYS A 22 0.662 -5.638 -5.543 1.00 0.00 C ATOM 281 NZ LYS A 22 1.004 -5.501 -6.986 1.00 0.00 N ATOM 0 H LYS A 22 -0.975 -9.430 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.440 -9.178 -4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.122 -9.442 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.410 -9.372 -6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.902 -7.133 -6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.803 -7.234 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.131 -7.142 -4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.174 -7.718 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.184 -4.992 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.502 -5.298 -4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.656 -4.701 -7.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.459 -6.375 -7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.136 -5.332 -7.534 1.00 0.00 H new ATOM 295 N GLU A 23 -2.489 -11.966 -4.324 1.00 0.00 N ATOM 296 CA GLU A 23 -2.999 -13.303 -4.604 1.00 0.00 C ATOM 297 C GLU A 23 -4.388 -13.493 -4.002 1.00 0.00 C ATOM 298 O GLU A 23 -4.609 -13.208 -2.825 1.00 0.00 O ATOM 299 CB GLU A 23 -2.043 -14.363 -4.053 1.00 0.00 C ATOM 300 CG GLU A 23 -0.719 -14.433 -4.795 1.00 0.00 C ATOM 301 CD GLU A 23 -0.863 -14.999 -6.194 1.00 0.00 C ATOM 302 OE1 GLU A 23 -1.838 -15.741 -6.436 1.00 0.00 O ATOM 303 OE2 GLU A 23 -0.001 -14.701 -7.047 1.00 0.00 O ATOM 0 H GLU A 23 -2.458 -11.725 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.072 -13.417 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.850 -14.154 -3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.528 -15.338 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.287 -13.434 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.021 -15.049 -4.228 1.00 0.00 H new ATOM 310 N GLU A 24 -5.320 -13.974 -4.818 1.00 0.00 N ATOM 311 CA GLU A 24 -6.688 -14.200 -4.367 1.00 0.00 C ATOM 312 C GLU A 24 -6.708 -14.718 -2.931 1.00 0.00 C ATOM 313 O GLU A 24 -5.997 -15.665 -2.592 1.00 0.00 O ATOM 314 CB GLU A 24 -7.396 -15.195 -5.289 1.00 0.00 C ATOM 315 CG GLU A 24 -8.823 -15.505 -4.870 1.00 0.00 C ATOM 316 CD GLU A 24 -9.583 -16.288 -5.922 1.00 0.00 C ATOM 317 OE1 GLU A 24 -9.468 -15.942 -7.117 1.00 0.00 O ATOM 318 OE2 GLU A 24 -10.293 -17.246 -5.552 1.00 0.00 O ATOM 0 H GLU A 24 -5.153 -14.215 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.216 -13.247 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.403 -14.796 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.824 -16.123 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.809 -16.073 -3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.349 -14.572 -4.667 1.00 0.00 H new ATOM 325 N ILE A 25 -7.526 -14.090 -2.094 1.00 0.00 N ATOM 326 CA ILE A 25 -7.640 -14.488 -0.696 1.00 0.00 C ATOM 327 C ILE A 25 -8.859 -15.376 -0.474 1.00 0.00 C ATOM 328 O ILE A 25 -9.097 -15.858 0.634 1.00 0.00 O ATOM 329 CB ILE A 25 -7.736 -13.262 0.232 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.544 -12.330 0.006 1.00 0.00 C ATOM 331 CG2 ILE A 25 -7.803 -13.702 1.686 1.00 0.00 C ATOM 332 CD1 ILE A 25 -6.725 -10.958 0.618 1.00 0.00 C ATOM 0 H ILE A 25 -8.119 -13.304 -2.359 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.737 -15.048 -0.453 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.650 -12.717 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.649 -12.790 0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.376 -12.222 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.870 -12.824 2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.681 -14.330 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.905 -14.267 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.842 -10.351 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.601 -10.478 0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.863 -11.055 1.695 1.00 0.00 H new ATOM 344 N LYS A 26 -9.629 -15.590 -1.535 1.00 0.00 N ATOM 345 CA LYS A 26 -10.823 -16.423 -1.459 1.00 0.00 C ATOM 346 C LYS A 26 -10.457 -17.904 -1.487 1.00 0.00 C ATOM 347 O LYS A 26 -11.079 -18.694 -2.198 1.00 0.00 O ATOM 348 CB LYS A 26 -11.771 -16.099 -2.617 1.00 0.00 C ATOM 349 CG LYS A 26 -13.186 -16.609 -2.405 1.00 0.00 C ATOM 350 CD LYS A 26 -14.063 -16.337 -3.615 1.00 0.00 C ATOM 351 CE LYS A 26 -15.510 -16.728 -3.354 1.00 0.00 C ATOM 352 NZ LYS A 26 -15.656 -18.192 -3.125 1.00 0.00 N ATOM 0 H LYS A 26 -9.447 -15.198 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.325 -16.209 -0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.801 -15.019 -2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.372 -16.531 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.162 -17.680 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.618 -16.131 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.012 -15.279 -3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.684 -16.893 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.882 -16.186 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -16.126 -16.430 -4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.666 -18.436 -3.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.217 -18.712 -3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.187 -18.452 -2.234 1.00 0.00 H new ATOM 366 N HIS A 27 -9.444 -18.273 -0.709 1.00 0.00 N ATOM 367 CA HIS A 27 -8.997 -19.659 -0.644 1.00 0.00 C ATOM 368 C HIS A 27 -8.790 -20.096 0.804 1.00 0.00 C ATOM 369 O HIS A 27 -9.134 -21.216 1.180 1.00 0.00 O ATOM 370 CB HIS A 27 -7.698 -19.836 -1.432 1.00 0.00 C ATOM 371 CG HIS A 27 -7.886 -19.776 -2.916 1.00 0.00 C ATOM 372 ND1 HIS A 27 -8.556 -20.746 -3.630 1.00 0.00 N ATOM 373 CD2 HIS A 27 -7.488 -18.852 -3.822 1.00 0.00 C ATOM 374 CE1 HIS A 27 -8.561 -20.423 -4.911 1.00 0.00 C ATOM 375 NE2 HIS A 27 -7.919 -19.277 -5.054 1.00 0.00 N ATOM 0 H HIS A 27 -8.918 -17.632 -0.115 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.771 -20.285 -1.088 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.992 -19.062 -1.132 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.251 -20.795 -1.169 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.934 -17.948 -3.614 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.013 -20.998 -5.706 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.768 -18.788 -5.936 1.00 0.00 H new ATOM 384 N GLY A 28 -8.226 -19.203 1.612 1.00 0.00 N ATOM 385 CA GLY A 28 -7.983 -19.515 3.008 1.00 0.00 C ATOM 386 C GLY A 28 -8.670 -18.544 3.947 1.00 0.00 C ATOM 387 O GLY A 28 -9.839 -18.724 4.289 1.00 0.00 O ATOM 0 H GLY A 28 -7.933 -18.269 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.332 -20.526 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.910 -19.502 3.198 1.00 0.00 H new ATOM 391 N GLN A 29 -7.943 -17.514 4.366 1.00 0.00 N ATOM 392 CA GLN A 29 -8.490 -16.512 5.274 1.00 0.00 C ATOM 393 C GLN A 29 -8.098 -15.106 4.833 1.00 0.00 C ATOM 394 O GLN A 29 -7.201 -14.931 4.009 1.00 0.00 O ATOM 395 CB GLN A 29 -8.002 -16.766 6.701 1.00 0.00 C ATOM 396 CG GLN A 29 -8.533 -18.056 7.306 1.00 0.00 C ATOM 397 CD GLN A 29 -7.628 -19.242 7.037 1.00 0.00 C ATOM 398 OE1 GLN A 29 -7.834 -19.991 6.082 1.00 0.00 O ATOM 399 NE2 GLN A 29 -6.617 -19.419 7.880 1.00 0.00 N ATOM 0 H GLN A 29 -6.974 -17.351 4.092 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.577 -16.591 5.250 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.912 -16.795 6.704 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.300 -15.929 7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.648 -17.928 8.382 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.524 -18.261 6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.483 -18.774 8.659 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.974 -20.200 7.749 1.00 0.00 H new ATOM 408 N SER A 30 -8.778 -14.106 5.386 1.00 0.00 N ATOM 409 CA SER A 30 -8.503 -12.715 5.047 1.00 0.00 C ATOM 410 C SER A 30 -8.345 -11.869 6.306 1.00 0.00 C ATOM 411 O SER A 30 -8.836 -12.230 7.377 1.00 0.00 O ATOM 412 CB SER A 30 -9.628 -12.149 4.177 1.00 0.00 C ATOM 413 OG SER A 30 -10.882 -12.265 4.826 1.00 0.00 O ATOM 0 H SER A 30 -9.523 -14.234 6.071 1.00 0.00 H new ATOM 0 HA SER A 30 -7.568 -12.681 4.488 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.427 -11.102 3.953 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.657 -12.679 3.225 1.00 0.00 H new ATOM 0 HG SER A 30 -11.584 -11.895 4.251 1.00 0.00 H new ATOM 419 N LEU A 31 -7.656 -10.742 6.171 1.00 0.00 N ATOM 420 CA LEU A 31 -7.432 -9.842 7.298 1.00 0.00 C ATOM 421 C LEU A 31 -7.747 -8.400 6.915 1.00 0.00 C ATOM 422 O LEU A 31 -7.075 -7.810 6.068 1.00 0.00 O ATOM 423 CB LEU A 31 -5.984 -9.949 7.781 1.00 0.00 C ATOM 424 CG LEU A 31 -5.729 -9.543 9.233 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.309 -9.898 9.644 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.987 -8.056 9.424 1.00 0.00 C ATOM 0 H LEU A 31 -7.242 -10.429 5.293 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.101 -10.138 8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.653 -10.979 7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.360 -9.329 7.137 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.418 -10.095 9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.145 -9.602 10.680 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.160 -10.973 9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.602 -9.374 9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.801 -7.785 10.463 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.323 -7.485 8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.023 -7.831 9.171 1.00 0.00 H new ATOM 438 N LEU A 32 -8.772 -7.837 7.544 1.00 0.00 N ATOM 439 CA LEU A 32 -9.176 -6.462 7.271 1.00 0.00 C ATOM 440 C LEU A 32 -8.175 -5.473 7.860 1.00 0.00 C ATOM 441 O LEU A 32 -7.899 -5.494 9.059 1.00 0.00 O ATOM 442 CB LEU A 32 -10.570 -6.196 7.843 1.00 0.00 C ATOM 443 CG LEU A 32 -11.747 -6.555 6.936 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.761 -5.667 5.702 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.686 -8.023 6.538 1.00 0.00 C ATOM 0 H LEU A 32 -9.339 -8.311 8.247 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.201 -6.325 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.671 -6.754 8.774 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.641 -5.138 8.096 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.671 -6.387 7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.606 -5.938 5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.854 -4.624 6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.833 -5.802 5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.532 -8.260 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.756 -8.217 6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.727 -8.644 7.433 1.00 0.00 H new ATOM 457 N ALA A 33 -7.636 -4.607 7.008 1.00 0.00 N ATOM 458 CA ALA A 33 -6.669 -3.608 7.445 1.00 0.00 C ATOM 459 C ALA A 33 -6.462 -2.540 6.376 1.00 0.00 C ATOM 460 O ALA A 33 -6.112 -2.848 5.236 1.00 0.00 O ATOM 461 CB ALA A 33 -5.345 -4.271 7.793 1.00 0.00 C ATOM 0 H ALA A 33 -7.853 -4.577 6.012 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.065 -3.122 8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.633 -3.513 8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.499 -4.992 8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.953 -4.784 6.915 1.00 0.00 H new ATOM 467 N LEU A 34 -6.682 -1.284 6.751 1.00 0.00 N ATOM 468 CA LEU A 34 -6.521 -0.170 5.824 1.00 0.00 C ATOM 469 C LEU A 34 -7.478 -0.301 4.643 1.00 0.00 C ATOM 470 O LEU A 34 -7.075 -0.170 3.487 1.00 0.00 O ATOM 471 CB LEU A 34 -5.078 -0.104 5.320 1.00 0.00 C ATOM 472 CG LEU A 34 -4.017 0.237 6.367 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.799 -0.936 7.310 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.710 0.631 5.693 1.00 0.00 C ATOM 0 H LEU A 34 -6.972 -1.012 7.690 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.756 0.751 6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.825 -1.067 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.026 0.638 4.524 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.372 1.085 6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.041 -0.674 8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.734 -1.172 7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.466 -1.804 6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.966 0.870 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.351 -0.198 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.875 1.503 5.060 1.00 0.00 H new ATOM 486 N ASP A 35 -8.746 -0.557 4.943 1.00 0.00 N ATOM 487 CA ASP A 35 -9.762 -0.702 3.907 1.00 0.00 C ATOM 488 C ASP A 35 -9.284 -1.641 2.804 1.00 0.00 C ATOM 489 O ASP A 35 -9.735 -1.557 1.662 1.00 0.00 O ATOM 490 CB ASP A 35 -10.115 0.663 3.313 1.00 0.00 C ATOM 491 CG ASP A 35 -8.960 1.278 2.548 1.00 0.00 C ATOM 492 OD1 ASP A 35 -8.488 0.647 1.579 1.00 0.00 O ATOM 493 OD2 ASP A 35 -8.528 2.389 2.918 1.00 0.00 O ATOM 0 H ASP A 35 -9.095 -0.668 5.895 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.653 -1.132 4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.972 0.556 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.416 1.338 4.114 1.00 0.00 H new ATOM 498 N LYS A 36 -8.365 -2.536 3.153 1.00 0.00 N ATOM 499 CA LYS A 36 -7.824 -3.492 2.194 1.00 0.00 C ATOM 500 C LYS A 36 -7.891 -4.913 2.746 1.00 0.00 C ATOM 501 O LYS A 36 -8.253 -5.122 3.903 1.00 0.00 O ATOM 502 CB LYS A 36 -6.377 -3.135 1.849 1.00 0.00 C ATOM 503 CG LYS A 36 -6.248 -2.208 0.652 1.00 0.00 C ATOM 504 CD LYS A 36 -4.941 -1.434 0.685 1.00 0.00 C ATOM 505 CE LYS A 36 -4.745 -0.616 -0.582 1.00 0.00 C ATOM 506 NZ LYS A 36 -3.768 0.490 -0.384 1.00 0.00 N ATOM 0 H LYS A 36 -7.979 -2.619 4.094 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.429 -3.444 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.912 -2.664 2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.823 -4.052 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.304 -2.790 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.085 -1.510 0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.930 -0.773 1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.109 -2.128 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.398 -1.267 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.702 -0.202 -0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.663 1.023 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.111 1.126 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.847 0.094 -0.107 1.00 0.00 H new ATOM 520 N GLN A 37 -7.539 -5.884 1.910 1.00 0.00 N ATOM 521 CA GLN A 37 -7.559 -7.285 2.315 1.00 0.00 C ATOM 522 C GLN A 37 -6.165 -7.898 2.223 1.00 0.00 C ATOM 523 O GLN A 37 -5.590 -7.994 1.140 1.00 0.00 O ATOM 524 CB GLN A 37 -8.535 -8.076 1.444 1.00 0.00 C ATOM 525 CG GLN A 37 -9.971 -8.030 1.943 1.00 0.00 C ATOM 526 CD GLN A 37 -10.927 -8.781 1.038 1.00 0.00 C ATOM 527 OE1 GLN A 37 -11.899 -8.215 0.537 1.00 0.00 O ATOM 528 NE2 GLN A 37 -10.657 -10.063 0.823 1.00 0.00 N ATOM 0 H GLN A 37 -7.237 -5.727 0.949 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.889 -7.332 3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.500 -7.686 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.208 -9.115 1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.017 -8.454 2.946 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.291 -6.991 2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.841 -10.492 1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.266 -10.619 0.222 1.00 0.00 H new ATOM 537 N TRP A 38 -5.629 -8.309 3.367 1.00 0.00 N ATOM 538 CA TRP A 38 -4.302 -8.913 3.415 1.00 0.00 C ATOM 539 C TRP A 38 -4.358 -10.301 4.042 1.00 0.00 C ATOM 540 O TRP A 38 -5.249 -10.597 4.840 1.00 0.00 O ATOM 541 CB TRP A 38 -3.342 -8.021 4.204 1.00 0.00 C ATOM 542 CG TRP A 38 -3.562 -6.557 3.969 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.682 -5.837 4.273 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.639 -5.636 3.378 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.511 -4.524 3.907 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.265 -4.375 3.356 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.343 -5.754 2.868 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.639 -3.242 2.843 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.724 -4.629 2.358 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.371 -3.386 2.349 1.00 0.00 C ATOM 0 H TRP A 38 -6.092 -8.235 4.273 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.938 -9.012 2.393 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.453 -8.232 5.268 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.317 -8.275 3.934 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.572 -6.241 4.734 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.199 -3.781 4.026 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.835 -6.707 2.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.137 -2.283 2.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.276 -4.709 1.959 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.859 -2.525 1.944 1.00 0.00 H new ATOM 561 N HIS A 39 -3.402 -11.150 3.678 1.00 0.00 N ATOM 562 CA HIS A 39 -3.343 -12.508 4.207 1.00 0.00 C ATOM 563 C HIS A 39 -2.962 -12.499 5.684 1.00 0.00 C ATOM 564 O HIS A 39 -2.672 -11.448 6.255 1.00 0.00 O ATOM 565 CB HIS A 39 -2.337 -13.343 3.414 1.00 0.00 C ATOM 566 CG HIS A 39 -2.830 -13.747 2.059 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.001 -13.885 0.966 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.077 -14.047 1.624 1.00 0.00 C ATOM 569 CE1 HIS A 39 -2.716 -14.249 -0.083 1.00 0.00 C ATOM 570 NE2 HIS A 39 -3.979 -14.355 0.289 1.00 0.00 N ATOM 0 H HIS A 39 -2.658 -10.922 3.019 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.333 -12.954 4.108 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.414 -12.774 3.301 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.091 -14.239 3.984 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.980 -14.045 2.216 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.333 -14.429 -1.077 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.755 -14.622 -0.317 1.00 0.00 H new ATOM 578 N VAL A 40 -2.966 -13.678 6.298 1.00 0.00 N ATOM 579 CA VAL A 40 -2.622 -13.806 7.709 1.00 0.00 C ATOM 580 C VAL A 40 -1.112 -13.740 7.914 1.00 0.00 C ATOM 581 O VAL A 40 -0.634 -13.585 9.038 1.00 0.00 O ATOM 582 CB VAL A 40 -3.151 -15.127 8.298 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.790 -15.238 9.772 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.655 -15.234 8.100 1.00 0.00 C ATOM 0 H VAL A 40 -3.204 -14.558 5.840 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.094 -12.971 8.227 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.678 -15.955 7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.172 -16.178 10.170 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.706 -15.210 9.884 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.233 -14.405 10.319 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.012 -16.174 8.522 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.148 -14.401 8.601 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.885 -15.204 7.035 1.00 0.00 H new ATOM 594 N SER A 41 -0.366 -13.857 6.821 1.00 0.00 N ATOM 595 CA SER A 41 1.090 -13.814 6.880 1.00 0.00 C ATOM 596 C SER A 41 1.641 -12.744 5.943 1.00 0.00 C ATOM 597 O SER A 41 2.818 -12.763 5.583 1.00 0.00 O ATOM 598 CB SER A 41 1.677 -15.179 6.516 1.00 0.00 C ATOM 599 OG SER A 41 3.078 -15.204 6.728 1.00 0.00 O ATOM 0 H SER A 41 -0.746 -13.982 5.883 1.00 0.00 H new ATOM 0 HA SER A 41 1.380 -13.562 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.201 -15.955 7.116 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.460 -15.405 5.472 1.00 0.00 H new ATOM 0 HG SER A 41 3.473 -14.368 6.403 1.00 0.00 H new ATOM 605 N CYS A 42 0.780 -11.811 5.550 1.00 0.00 N ATOM 606 CA CYS A 42 1.177 -10.732 4.654 1.00 0.00 C ATOM 607 C CYS A 42 1.013 -9.374 5.331 1.00 0.00 C ATOM 608 O CYS A 42 1.735 -8.425 5.026 1.00 0.00 O ATOM 609 CB CYS A 42 0.349 -10.777 3.369 1.00 0.00 C ATOM 610 SG CYS A 42 0.837 -12.100 2.215 1.00 0.00 S ATOM 0 H CYS A 42 -0.198 -11.781 5.838 1.00 0.00 H new ATOM 0 HA CYS A 42 2.229 -10.869 4.405 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.701 -10.907 3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.434 -9.817 2.861 1.00 0.00 H new ATOM 615 N PHE A 43 0.058 -9.290 6.251 1.00 0.00 N ATOM 616 CA PHE A 43 -0.203 -8.049 6.971 1.00 0.00 C ATOM 617 C PHE A 43 0.868 -7.798 8.029 1.00 0.00 C ATOM 618 O PHE A 43 0.656 -8.049 9.215 1.00 0.00 O ATOM 619 CB PHE A 43 -1.584 -8.096 7.629 1.00 0.00 C ATOM 620 CG PHE A 43 -1.996 -6.793 8.251 1.00 0.00 C ATOM 621 CD1 PHE A 43 -1.952 -5.616 7.520 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.427 -6.744 9.567 1.00 0.00 C ATOM 623 CE1 PHE A 43 -2.332 -4.415 8.089 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.808 -5.546 10.141 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.759 -4.380 9.402 1.00 0.00 C ATOM 0 H PHE A 43 -0.548 -10.067 6.516 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.178 -7.230 6.252 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.324 -8.383 6.882 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.587 -8.872 8.395 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.617 -5.638 6.494 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.466 -7.652 10.151 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.295 -3.505 7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.144 -5.521 11.167 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.054 -3.443 9.850 1.00 0.00 H new ATOM 635 N LYS A 44 2.020 -7.303 7.590 1.00 0.00 N ATOM 636 CA LYS A 44 3.126 -7.017 8.496 1.00 0.00 C ATOM 637 C LYS A 44 3.658 -5.604 8.278 1.00 0.00 C ATOM 638 O LYS A 44 3.321 -4.949 7.291 1.00 0.00 O ATOM 639 CB LYS A 44 4.252 -8.034 8.296 1.00 0.00 C ATOM 640 CG LYS A 44 4.367 -8.542 6.870 1.00 0.00 C ATOM 641 CD LYS A 44 5.137 -7.571 5.992 1.00 0.00 C ATOM 642 CE LYS A 44 4.704 -7.669 4.537 1.00 0.00 C ATOM 643 NZ LYS A 44 3.606 -6.714 4.219 1.00 0.00 N ATOM 0 H LYS A 44 2.212 -7.091 6.611 1.00 0.00 H new ATOM 0 HA LYS A 44 2.754 -7.092 9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.198 -7.578 8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.088 -8.881 8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.866 -9.511 6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.370 -8.696 6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.982 -6.553 6.351 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.205 -7.777 6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.558 -7.469 3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.374 -8.686 4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.511 -6.625 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.713 -7.066 4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.826 -5.783 4.628 1.00 0.00 H new ATOM 657 N CYS A 45 4.492 -5.141 9.203 1.00 0.00 N ATOM 658 CA CYS A 45 5.072 -3.807 9.111 1.00 0.00 C ATOM 659 C CYS A 45 5.627 -3.550 7.713 1.00 0.00 C ATOM 660 O CYS A 45 5.766 -4.473 6.911 1.00 0.00 O ATOM 661 CB CYS A 45 6.180 -3.637 10.151 1.00 0.00 C ATOM 662 SG CYS A 45 6.710 -1.912 10.399 1.00 0.00 S ATOM 0 H CYS A 45 4.781 -5.671 10.025 1.00 0.00 H new ATOM 0 HA CYS A 45 4.283 -3.081 9.309 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.835 -4.040 11.103 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.042 -4.231 9.848 1.00 0.00 H new ATOM 667 N GLN A 46 5.942 -2.290 7.430 1.00 0.00 N ATOM 668 CA GLN A 46 6.481 -1.912 6.129 1.00 0.00 C ATOM 669 C GLN A 46 7.963 -1.566 6.234 1.00 0.00 C ATOM 670 O GLN A 46 8.666 -1.484 5.226 1.00 0.00 O ATOM 671 CB GLN A 46 5.707 -0.723 5.558 1.00 0.00 C ATOM 672 CG GLN A 46 6.306 -0.164 4.278 1.00 0.00 C ATOM 673 CD GLN A 46 6.298 -1.168 3.143 1.00 0.00 C ATOM 674 OE1 GLN A 46 7.348 -1.529 2.611 1.00 0.00 O ATOM 675 NE2 GLN A 46 5.110 -1.626 2.766 1.00 0.00 N ATOM 0 H GLN A 46 5.833 -1.514 8.084 1.00 0.00 H new ATOM 0 HA GLN A 46 6.372 -2.763 5.457 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.679 -1.029 5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.669 0.068 6.307 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.748 0.723 3.977 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.331 0.154 4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.265 -1.299 3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.042 -2.305 2.007 1.00 0.00 H new ATOM 684 N THR A 47 8.433 -1.362 7.461 1.00 0.00 N ATOM 685 CA THR A 47 9.830 -1.023 7.698 1.00 0.00 C ATOM 686 C THR A 47 10.618 -2.238 8.174 1.00 0.00 C ATOM 687 O THR A 47 11.775 -2.426 7.799 1.00 0.00 O ATOM 688 CB THR A 47 9.966 0.103 8.740 1.00 0.00 C ATOM 689 OG1 THR A 47 9.304 1.284 8.274 1.00 0.00 O ATOM 690 CG2 THR A 47 11.430 0.411 9.016 1.00 0.00 C ATOM 0 H THR A 47 7.866 -1.426 8.306 1.00 0.00 H new ATOM 0 HA THR A 47 10.237 -0.679 6.747 1.00 0.00 H new ATOM 0 HB THR A 47 9.501 -0.232 9.667 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.838 2.072 8.508 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.501 1.209 9.755 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.924 -0.482 9.398 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.916 0.727 8.093 1.00 0.00 H new ATOM 698 N CYS A 48 9.983 -3.062 9.001 1.00 0.00 N ATOM 699 CA CYS A 48 10.624 -4.260 9.529 1.00 0.00 C ATOM 700 C CYS A 48 9.989 -5.519 8.944 1.00 0.00 C ATOM 701 O CYS A 48 10.591 -6.592 8.955 1.00 0.00 O ATOM 702 CB CYS A 48 10.524 -4.287 11.055 1.00 0.00 C ATOM 703 SG CYS A 48 8.824 -4.470 11.686 1.00 0.00 S ATOM 0 H CYS A 48 9.024 -2.922 9.320 1.00 0.00 H new ATOM 0 HA CYS A 48 11.675 -4.237 9.241 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.131 -5.109 11.434 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.951 -3.366 11.453 1.00 0.00 H new ATOM 708 N SER A 49 8.770 -5.378 8.434 1.00 0.00 N ATOM 709 CA SER A 49 8.052 -6.503 7.847 1.00 0.00 C ATOM 710 C SER A 49 7.755 -7.566 8.901 1.00 0.00 C ATOM 711 O SER A 49 8.068 -8.743 8.717 1.00 0.00 O ATOM 712 CB SER A 49 8.864 -7.114 6.704 1.00 0.00 C ATOM 713 OG SER A 49 8.566 -6.482 5.472 1.00 0.00 O ATOM 0 H SER A 49 8.259 -4.496 8.415 1.00 0.00 H new ATOM 0 HA SER A 49 7.106 -6.133 7.452 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.928 -7.017 6.918 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.649 -8.180 6.631 1.00 0.00 H new ATOM 0 HG SER A 49 9.099 -6.890 4.758 1.00 0.00 H new ATOM 719 N VAL A 50 7.149 -7.143 10.005 1.00 0.00 N ATOM 720 CA VAL A 50 6.808 -8.057 11.089 1.00 0.00 C ATOM 721 C VAL A 50 5.306 -8.317 11.137 1.00 0.00 C ATOM 722 O VAL A 50 4.502 -7.396 10.996 1.00 0.00 O ATOM 723 CB VAL A 50 7.266 -7.507 12.452 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.384 -6.347 12.884 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.261 -8.610 13.500 1.00 0.00 C ATOM 0 H VAL A 50 6.884 -6.173 10.173 1.00 0.00 H new ATOM 0 HA VAL A 50 7.330 -8.993 10.889 1.00 0.00 H new ATOM 0 HB VAL A 50 8.286 -7.138 12.350 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.723 -5.972 13.849 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.443 -5.549 12.143 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.352 -6.687 12.969 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.587 -8.204 14.457 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.253 -9.011 13.601 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.939 -9.406 13.194 1.00 0.00 H new ATOM 735 N ILE A 51 4.936 -9.577 11.337 1.00 0.00 N ATOM 736 CA ILE A 51 3.530 -9.958 11.405 1.00 0.00 C ATOM 737 C ILE A 51 2.788 -9.135 12.452 1.00 0.00 C ATOM 738 O ILE A 51 3.222 -9.033 13.600 1.00 0.00 O ATOM 739 CB ILE A 51 3.368 -11.454 11.734 1.00 0.00 C ATOM 740 CG1 ILE A 51 4.043 -12.311 10.662 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.894 -11.812 11.856 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.377 -12.219 9.307 1.00 0.00 C ATOM 0 H ILE A 51 5.589 -10.351 11.455 1.00 0.00 H new ATOM 0 HA ILE A 51 3.101 -9.762 10.422 1.00 0.00 H new ATOM 0 HB ILE A 51 3.852 -11.655 12.690 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.085 -12.006 10.567 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.044 -13.351 10.987 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.795 -12.872 12.089 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.441 -11.222 12.653 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.389 -11.599 10.914 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.909 -12.852 8.597 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.342 -12.552 9.387 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.400 -11.186 8.960 1.00 0.00 H new ATOM 754 N LEU A 52 1.665 -8.550 12.049 1.00 0.00 N ATOM 755 CA LEU A 52 0.859 -7.737 12.953 1.00 0.00 C ATOM 756 C LEU A 52 -0.524 -8.348 13.149 1.00 0.00 C ATOM 757 O LEU A 52 -1.359 -8.325 12.244 1.00 0.00 O ATOM 758 CB LEU A 52 0.729 -6.313 12.410 1.00 0.00 C ATOM 759 CG LEU A 52 2.040 -5.578 12.129 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.821 -4.460 11.122 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.630 -5.028 13.419 1.00 0.00 C ATOM 0 H LEU A 52 1.292 -8.624 11.102 1.00 0.00 H new ATOM 0 HA LEU A 52 1.361 -7.706 13.920 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.151 -6.349 11.486 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.152 -5.725 13.124 1.00 0.00 H new ATOM 0 HG LEU A 52 2.748 -6.289 11.703 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.765 -3.949 10.935 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.444 -4.879 10.189 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.096 -3.749 11.519 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.563 -4.508 13.200 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.925 -4.332 13.874 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.826 -5.849 14.109 1.00 0.00 H new ATOM 773 N THR A 53 -0.762 -8.893 14.338 1.00 0.00 N ATOM 774 CA THR A 53 -2.045 -9.509 14.653 1.00 0.00 C ATOM 775 C THR A 53 -2.686 -8.852 15.870 1.00 0.00 C ATOM 776 O THR A 53 -3.909 -8.765 15.968 1.00 0.00 O ATOM 777 CB THR A 53 -1.893 -11.018 14.919 1.00 0.00 C ATOM 778 OG1 THR A 53 -0.955 -11.237 15.979 1.00 0.00 O ATOM 779 CG2 THR A 53 -1.428 -11.745 13.666 1.00 0.00 C ATOM 0 H THR A 53 -0.083 -8.920 15.099 1.00 0.00 H new ATOM 0 HA THR A 53 -2.687 -9.364 13.784 1.00 0.00 H new ATOM 0 HB THR A 53 -2.867 -11.413 15.209 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.865 -12.199 16.143 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.328 -12.809 13.879 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.158 -11.601 12.870 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.464 -11.346 13.350 1.00 0.00 H new ATOM 787 N GLY A 54 -1.852 -8.389 16.796 1.00 0.00 N ATOM 788 CA GLY A 54 -2.356 -7.745 17.994 1.00 0.00 C ATOM 789 C GLY A 54 -2.506 -6.246 17.828 1.00 0.00 C ATOM 790 O GLY A 54 -3.558 -5.764 17.410 1.00 0.00 O ATOM 0 H GLY A 54 -0.835 -8.449 16.737 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.322 -8.177 18.256 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.680 -7.949 18.824 1.00 0.00 H new ATOM 794 N GLU A 55 -1.451 -5.507 18.156 1.00 0.00 N ATOM 795 CA GLU A 55 -1.472 -4.053 18.043 1.00 0.00 C ATOM 796 C GLU A 55 -0.595 -3.586 16.884 1.00 0.00 C ATOM 797 O GLU A 55 0.434 -4.193 16.585 1.00 0.00 O ATOM 798 CB GLU A 55 -0.997 -3.411 19.348 1.00 0.00 C ATOM 799 CG GLU A 55 -1.878 -3.737 20.542 1.00 0.00 C ATOM 800 CD GLU A 55 -1.558 -5.087 21.152 1.00 0.00 C ATOM 801 OE1 GLU A 55 -0.379 -5.322 21.490 1.00 0.00 O ATOM 802 OE2 GLU A 55 -2.487 -5.910 21.292 1.00 0.00 O ATOM 0 H GLU A 55 -0.572 -5.891 18.502 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.499 -3.743 17.848 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.020 -3.742 19.557 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.960 -2.329 19.219 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.758 -2.963 21.300 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.923 -3.721 20.233 1.00 0.00 H new ATOM 809 N TYR A 56 -1.010 -2.503 16.236 1.00 0.00 N ATOM 810 CA TYR A 56 -0.265 -1.955 15.109 1.00 0.00 C ATOM 811 C TYR A 56 -0.735 -0.541 14.782 1.00 0.00 C ATOM 812 O TYR A 56 -1.860 -0.158 15.104 1.00 0.00 O ATOM 813 CB TYR A 56 -0.422 -2.853 13.881 1.00 0.00 C ATOM 814 CG TYR A 56 -1.666 -2.561 13.072 1.00 0.00 C ATOM 815 CD1 TYR A 56 -1.647 -1.624 12.047 1.00 0.00 C ATOM 816 CD2 TYR A 56 -2.859 -3.223 13.333 1.00 0.00 C ATOM 817 CE1 TYR A 56 -2.781 -1.354 11.305 1.00 0.00 C ATOM 818 CE2 TYR A 56 -3.998 -2.959 12.597 1.00 0.00 C ATOM 819 CZ TYR A 56 -3.954 -2.024 11.584 1.00 0.00 C ATOM 820 OH TYR A 56 -5.085 -1.758 10.847 1.00 0.00 O ATOM 0 H TYR A 56 -1.858 -1.988 16.472 1.00 0.00 H new ATOM 0 HA TYR A 56 0.788 -1.914 15.388 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.453 -2.736 13.241 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.444 -3.894 14.203 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.730 -1.097 11.826 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.897 -3.957 14.125 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.749 -0.623 10.511 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.918 -3.482 12.814 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.824 -2.315 11.170 1.00 0.00 H new ATOM 830 N ILE A 57 0.135 0.231 14.139 1.00 0.00 N ATOM 831 CA ILE A 57 -0.190 1.602 13.766 1.00 0.00 C ATOM 832 C ILE A 57 -0.093 1.799 12.257 1.00 0.00 C ATOM 833 O ILE A 57 0.862 1.352 11.623 1.00 0.00 O ATOM 834 CB ILE A 57 0.740 2.611 14.465 1.00 0.00 C ATOM 835 CG1 ILE A 57 0.985 2.193 15.916 1.00 0.00 C ATOM 836 CG2 ILE A 57 0.145 4.010 14.404 1.00 0.00 C ATOM 837 CD1 ILE A 57 2.313 2.665 16.466 1.00 0.00 C ATOM 0 H ILE A 57 1.070 -0.070 13.866 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.216 1.782 14.088 1.00 0.00 H new ATOM 0 HB ILE A 57 1.697 2.621 13.944 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.182 2.587 16.539 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.938 1.106 15.985 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.814 4.712 14.902 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.018 4.306 13.363 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.824 4.015 14.903 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.418 2.332 17.499 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.123 2.250 15.867 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.356 3.754 16.430 1.00 0.00 H new ATOM 849 N SER A 58 -1.089 2.472 11.689 1.00 0.00 N ATOM 850 CA SER A 58 -1.117 2.727 10.253 1.00 0.00 C ATOM 851 C SER A 58 -0.838 4.197 9.957 1.00 0.00 C ATOM 852 O SER A 58 -1.420 5.089 10.574 1.00 0.00 O ATOM 853 CB SER A 58 -2.473 2.326 9.670 1.00 0.00 C ATOM 854 OG SER A 58 -3.528 3.037 10.295 1.00 0.00 O ATOM 0 H SER A 58 -1.886 2.850 12.201 1.00 0.00 H new ATOM 0 HA SER A 58 -0.336 2.126 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.484 2.522 8.598 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.626 1.255 9.800 1.00 0.00 H new ATOM 0 HG SER A 58 -3.199 3.908 10.601 1.00 0.00 H new ATOM 860 N LYS A 59 0.058 4.442 9.007 1.00 0.00 N ATOM 861 CA LYS A 59 0.417 5.803 8.626 1.00 0.00 C ATOM 862 C LYS A 59 0.342 5.982 7.113 1.00 0.00 C ATOM 863 O LYS A 59 0.873 5.169 6.356 1.00 0.00 O ATOM 864 CB LYS A 59 1.825 6.140 9.121 1.00 0.00 C ATOM 865 CG LYS A 59 1.985 7.584 9.564 1.00 0.00 C ATOM 866 CD LYS A 59 1.998 8.533 8.378 1.00 0.00 C ATOM 867 CE LYS A 59 3.405 8.726 7.834 1.00 0.00 C ATOM 868 NZ LYS A 59 4.097 9.876 8.480 1.00 0.00 N ATOM 0 H LYS A 59 0.549 3.715 8.486 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.297 6.483 9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.075 5.483 9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.540 5.932 8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.170 7.852 10.236 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.912 7.692 10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.353 8.142 7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.587 9.497 8.678 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.984 7.817 7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.359 8.888 6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.397 10.554 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.447 10.345 9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.931 9.533 8.998 1.00 0.00 H new ATOM 882 N ASP A 60 -0.318 7.050 6.679 1.00 0.00 N ATOM 883 CA ASP A 60 -0.459 7.336 5.256 1.00 0.00 C ATOM 884 C ASP A 60 -0.845 6.078 4.484 1.00 0.00 C ATOM 885 O ASP A 60 -0.445 5.895 3.336 1.00 0.00 O ATOM 886 CB ASP A 60 0.844 7.911 4.698 1.00 0.00 C ATOM 887 CG ASP A 60 0.746 8.241 3.222 1.00 0.00 C ATOM 888 OD1 ASP A 60 0.167 9.295 2.887 1.00 0.00 O ATOM 889 OD2 ASP A 60 1.248 7.444 2.401 1.00 0.00 O ATOM 0 H ASP A 60 -0.764 7.732 7.292 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.253 8.073 5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.107 8.812 5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.650 7.194 4.854 1.00 0.00 H new ATOM 894 N GLY A 61 -1.626 5.214 5.125 1.00 0.00 N ATOM 895 CA GLY A 61 -2.053 3.984 4.484 1.00 0.00 C ATOM 896 C GLY A 61 -0.971 2.922 4.489 1.00 0.00 C ATOM 897 O GLY A 61 -0.930 2.063 3.608 1.00 0.00 O ATOM 0 H GLY A 61 -1.970 5.344 6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.937 3.600 4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.345 4.196 3.455 1.00 0.00 H new ATOM 901 N VAL A 62 -0.091 2.980 5.484 1.00 0.00 N ATOM 902 CA VAL A 62 0.997 2.016 5.600 1.00 0.00 C ATOM 903 C VAL A 62 1.051 1.414 6.999 1.00 0.00 C ATOM 904 O VAL A 62 1.168 2.119 8.001 1.00 0.00 O ATOM 905 CB VAL A 62 2.357 2.664 5.278 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.452 1.610 5.226 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.284 3.434 3.968 1.00 0.00 C ATOM 0 H VAL A 62 -0.110 3.685 6.221 1.00 0.00 H new ATOM 0 HA VAL A 62 0.799 1.226 4.876 1.00 0.00 H new ATOM 0 HB VAL A 62 2.601 3.368 6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.405 2.087 4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.520 1.108 6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.217 0.879 4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.254 3.885 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.017 2.753 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.529 4.217 4.047 1.00 0.00 H new ATOM 917 N PRO A 63 0.963 0.078 7.072 1.00 0.00 N ATOM 918 CA PRO A 63 1.001 -0.650 8.344 1.00 0.00 C ATOM 919 C PRO A 63 2.379 -0.607 8.996 1.00 0.00 C ATOM 920 O PRO A 63 3.391 -0.878 8.349 1.00 0.00 O ATOM 921 CB PRO A 63 0.644 -2.084 7.943 1.00 0.00 C ATOM 922 CG PRO A 63 1.047 -2.188 6.512 1.00 0.00 C ATOM 923 CD PRO A 63 0.822 -0.826 5.918 1.00 0.00 C ATOM 0 HA PRO A 63 0.324 -0.218 9.081 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.175 -2.811 8.558 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.421 -2.277 8.069 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.092 -2.485 6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.455 -2.942 5.994 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.552 -0.601 5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.165 -0.745 5.462 1.00 0.00 H new ATOM 931 N TYR A 64 2.410 -0.264 10.279 1.00 0.00 N ATOM 932 CA TYR A 64 3.665 -0.183 11.018 1.00 0.00 C ATOM 933 C TYR A 64 3.502 -0.738 12.430 1.00 0.00 C ATOM 934 O TYR A 64 2.401 -0.752 12.981 1.00 0.00 O ATOM 935 CB TYR A 64 4.152 1.265 11.080 1.00 0.00 C ATOM 936 CG TYR A 64 4.585 1.816 9.740 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.685 1.291 9.073 1.00 0.00 C ATOM 938 CD2 TYR A 64 3.894 2.862 9.141 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.084 1.792 7.849 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.285 3.369 7.916 1.00 0.00 C ATOM 941 CZ TYR A 64 5.381 2.830 7.275 1.00 0.00 C ATOM 942 OH TYR A 64 5.775 3.331 6.055 1.00 0.00 O ATOM 0 H TYR A 64 1.581 -0.038 10.829 1.00 0.00 H new ATOM 0 HA TYR A 64 4.406 -0.786 10.493 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.354 1.891 11.480 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.988 1.329 11.777 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.238 0.477 9.519 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.036 3.286 9.641 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.942 1.373 7.344 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.736 4.182 7.464 1.00 0.00 H new ATOM 0 HH TYR A 64 5.174 4.058 5.790 1.00 0.00 H new ATOM 952 N CYS A 65 4.607 -1.193 13.010 1.00 0.00 N ATOM 953 CA CYS A 65 4.590 -1.749 14.358 1.00 0.00 C ATOM 954 C CYS A 65 4.866 -0.666 15.397 1.00 0.00 C ATOM 955 O CYS A 65 5.141 0.483 15.051 1.00 0.00 O ATOM 956 CB CYS A 65 5.626 -2.868 14.484 1.00 0.00 C ATOM 957 SG CYS A 65 7.337 -2.337 14.154 1.00 0.00 S ATOM 0 H CYS A 65 5.526 -1.188 12.568 1.00 0.00 H new ATOM 0 HA CYS A 65 3.597 -2.160 14.542 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.574 -3.285 15.490 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.366 -3.669 13.792 1.00 0.00 H new ATOM 962 N GLU A 66 4.791 -1.041 16.670 1.00 0.00 N ATOM 963 CA GLU A 66 5.032 -0.102 17.758 1.00 0.00 C ATOM 964 C GLU A 66 6.521 0.206 17.892 1.00 0.00 C ATOM 965 O GLU A 66 6.919 1.075 18.667 1.00 0.00 O ATOM 966 CB GLU A 66 4.496 -0.665 19.076 1.00 0.00 C ATOM 967 CG GLU A 66 3.027 -1.049 19.021 1.00 0.00 C ATOM 968 CD GLU A 66 2.336 -0.902 20.363 1.00 0.00 C ATOM 969 OE1 GLU A 66 2.360 -1.868 21.153 1.00 0.00 O ATOM 970 OE2 GLU A 66 1.770 0.181 20.623 1.00 0.00 O ATOM 0 H GLU A 66 4.565 -1.989 16.973 1.00 0.00 H new ATOM 0 HA GLU A 66 4.506 0.824 17.527 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.082 -1.542 19.352 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.640 0.075 19.863 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.519 -0.426 18.285 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.937 -2.081 18.681 1.00 0.00 H new ATOM 977 N SER A 67 7.338 -0.515 17.130 1.00 0.00 N ATOM 978 CA SER A 67 8.783 -0.323 17.166 1.00 0.00 C ATOM 979 C SER A 67 9.220 0.709 16.130 1.00 0.00 C ATOM 980 O SER A 67 9.604 1.826 16.474 1.00 0.00 O ATOM 981 CB SER A 67 9.501 -1.650 16.915 1.00 0.00 C ATOM 982 OG SER A 67 9.243 -2.575 17.957 1.00 0.00 O ATOM 0 H SER A 67 7.024 -1.237 16.481 1.00 0.00 H new ATOM 0 HA SER A 67 9.051 0.046 18.156 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.175 -2.069 15.963 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.574 -1.477 16.836 1.00 0.00 H new ATOM 0 HG SER A 67 9.712 -3.415 17.772 1.00 0.00 H new ATOM 988 N ASP A 68 9.158 0.325 14.860 1.00 0.00 N ATOM 989 CA ASP A 68 9.546 1.215 13.772 1.00 0.00 C ATOM 990 C ASP A 68 8.771 2.527 13.841 1.00 0.00 C ATOM 991 O ASP A 68 9.361 3.605 13.925 1.00 0.00 O ATOM 992 CB ASP A 68 9.307 0.539 12.421 1.00 0.00 C ATOM 993 CG ASP A 68 10.018 -0.795 12.308 1.00 0.00 C ATOM 994 OD1 ASP A 68 9.880 -1.621 13.234 1.00 0.00 O ATOM 995 OD2 ASP A 68 10.714 -1.013 11.293 1.00 0.00 O ATOM 0 H ASP A 68 8.843 -0.597 14.558 1.00 0.00 H new ATOM 0 HA ASP A 68 10.608 1.434 13.877 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.237 0.391 12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.648 1.198 11.623 1.00 0.00 H new ATOM 1000 N TYR A 69 7.447 2.429 13.806 1.00 0.00 N ATOM 1001 CA TYR A 69 6.591 3.609 13.861 1.00 0.00 C ATOM 1002 C TYR A 69 7.073 4.581 14.934 1.00 0.00 C ATOM 1003 O TYR A 69 7.356 5.746 14.650 1.00 0.00 O ATOM 1004 CB TYR A 69 5.143 3.201 14.139 1.00 0.00 C ATOM 1005 CG TYR A 69 4.169 4.357 14.090 1.00 0.00 C ATOM 1006 CD1 TYR A 69 4.154 5.322 15.088 1.00 0.00 C ATOM 1007 CD2 TYR A 69 3.264 4.483 13.043 1.00 0.00 C ATOM 1008 CE1 TYR A 69 3.266 6.379 15.047 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.373 5.537 12.993 1.00 0.00 C ATOM 1010 CZ TYR A 69 2.377 6.482 13.997 1.00 0.00 C ATOM 1011 OH TYR A 69 1.491 7.534 13.952 1.00 0.00 O ATOM 0 H TYR A 69 6.943 1.545 13.740 1.00 0.00 H new ATOM 0 HA TYR A 69 6.641 4.110 12.894 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.839 2.450 13.410 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.089 2.732 15.121 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.849 5.245 15.911 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.257 3.744 12.255 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.268 7.121 15.832 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.677 5.621 12.172 1.00 0.00 H new ATOM 0 HH TYR A 69 0.936 7.460 13.148 1.00 0.00 H new ATOM 1021 N HIS A 70 7.164 4.094 16.167 1.00 0.00 N ATOM 1022 CA HIS A 70 7.613 4.919 17.283 1.00 0.00 C ATOM 1023 C HIS A 70 9.043 5.402 17.062 1.00 0.00 C ATOM 1024 O HIS A 70 9.485 6.367 17.684 1.00 0.00 O ATOM 1025 CB HIS A 70 7.525 4.133 18.592 1.00 0.00 C ATOM 1026 CG HIS A 70 6.190 4.236 19.264 1.00 0.00 C ATOM 1027 ND1 HIS A 70 5.899 5.188 20.219 1.00 0.00 N ATOM 1028 CD2 HIS A 70 5.064 3.501 19.113 1.00 0.00 C ATOM 1029 CE1 HIS A 70 4.652 5.032 20.627 1.00 0.00 C ATOM 1030 NE2 HIS A 70 4.123 4.015 19.971 1.00 0.00 N ATOM 0 H HIS A 70 6.933 3.133 16.419 1.00 0.00 H new ATOM 0 HA HIS A 70 6.960 5.790 17.345 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.742 3.084 18.391 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.295 4.493 19.275 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.930 2.665 18.442 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.151 5.634 21.371 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.170 3.668 20.083 1.00 0.00 H new ATOM 1039 N ALA A 71 9.760 4.724 16.172 1.00 0.00 N ATOM 1040 CA ALA A 71 11.139 5.085 15.867 1.00 0.00 C ATOM 1041 C ALA A 71 11.211 6.000 14.649 1.00 0.00 C ATOM 1042 O ALA A 71 12.213 6.679 14.431 1.00 0.00 O ATOM 1043 CB ALA A 71 11.974 3.834 15.641 1.00 0.00 C ATOM 0 H ALA A 71 9.409 3.922 15.649 1.00 0.00 H new ATOM 0 HA ALA A 71 11.544 5.629 16.721 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.001 4.118 15.414 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.958 3.218 16.540 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.562 3.267 14.806 1.00 0.00 H new ATOM 1049 N GLN A 72 10.142 6.010 13.859 1.00 0.00 N ATOM 1050 CA GLN A 72 10.086 6.841 12.662 1.00 0.00 C ATOM 1051 C GLN A 72 9.309 8.126 12.927 1.00 0.00 C ATOM 1052 O GLN A 72 9.855 9.225 12.826 1.00 0.00 O ATOM 1053 CB GLN A 72 9.440 6.069 11.510 1.00 0.00 C ATOM 1054 CG GLN A 72 10.438 5.311 10.650 1.00 0.00 C ATOM 1055 CD GLN A 72 9.835 4.079 10.004 1.00 0.00 C ATOM 1056 OE1 GLN A 72 9.928 3.892 8.790 1.00 0.00 O ATOM 1057 NE2 GLN A 72 9.213 3.230 10.813 1.00 0.00 N ATOM 0 H GLN A 72 9.304 5.453 14.026 1.00 0.00 H new ATOM 0 HA GLN A 72 11.107 7.106 12.386 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.715 5.364 11.917 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.887 6.767 10.881 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.820 5.974 9.873 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.289 5.015 11.263 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.160 3.424 11.813 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.788 2.383 10.435 1.00 0.00 H new ATOM 1066 N PHE A 73 8.032 7.981 13.266 1.00 0.00 N ATOM 1067 CA PHE A 73 7.180 9.131 13.544 1.00 0.00 C ATOM 1068 C PHE A 73 7.103 9.401 15.044 1.00 0.00 C ATOM 1069 O PHE A 73 6.770 10.505 15.471 1.00 0.00 O ATOM 1070 CB PHE A 73 5.775 8.899 12.984 1.00 0.00 C ATOM 1071 CG PHE A 73 5.746 7.970 11.803 1.00 0.00 C ATOM 1072 CD1 PHE A 73 5.615 6.603 11.984 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.851 8.465 10.513 1.00 0.00 C ATOM 1074 CE1 PHE A 73 5.589 5.747 10.899 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.825 7.614 9.425 1.00 0.00 C ATOM 1076 CZ PHE A 73 5.693 6.253 9.618 1.00 0.00 C ATOM 0 H PHE A 73 7.565 7.079 13.355 1.00 0.00 H new ATOM 0 HA PHE A 73 7.619 10.002 13.058 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.141 8.492 13.772 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.346 9.858 12.693 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.532 6.202 12.983 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.954 9.529 10.356 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.487 4.683 11.053 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.908 8.013 8.425 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.671 5.586 8.769 1.00 0.00 H new ATOM 1086 N GLY A 74 7.413 8.381 15.840 1.00 0.00 N ATOM 1087 CA GLY A 74 7.372 8.527 17.283 1.00 0.00 C ATOM 1088 C GLY A 74 8.276 9.638 17.779 1.00 0.00 C ATOM 1089 O GLY A 74 7.874 10.449 18.613 1.00 0.00 O ATOM 0 H GLY A 74 7.692 7.457 15.511 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.348 8.729 17.596 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.668 7.587 17.749 1.00 0.00 H new ATOM 1093 N SER A 75 9.502 9.676 17.265 1.00 0.00 N ATOM 1094 CA SER A 75 10.468 10.692 17.665 1.00 0.00 C ATOM 1095 C SER A 75 10.816 10.559 19.144 1.00 0.00 C ATOM 1096 O SER A 75 10.921 11.553 19.861 1.00 0.00 O ATOM 1097 CB SER A 75 9.914 12.091 17.384 1.00 0.00 C ATOM 1098 OG SER A 75 9.628 12.259 16.006 1.00 0.00 O ATOM 0 H SER A 75 9.849 9.014 16.571 1.00 0.00 H new ATOM 0 HA SER A 75 11.376 10.544 17.081 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.008 12.251 17.969 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.636 12.842 17.703 1.00 0.00 H new ATOM 0 HG SER A 75 9.274 13.160 15.853 1.00 0.00 H new ATOM 1104 N GLY A 76 10.993 9.320 19.595 1.00 0.00 N ATOM 1105 CA GLY A 76 11.328 9.078 20.986 1.00 0.00 C ATOM 1106 C GLY A 76 12.606 8.278 21.144 1.00 0.00 C ATOM 1107 O GLY A 76 12.675 7.101 20.790 1.00 0.00 O ATOM 0 H GLY A 76 10.910 8.480 19.022 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.434 10.032 21.502 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.508 8.545 21.467 1.00 0.00 H new ATOM 1111 N PRO A 77 13.649 8.924 21.687 1.00 0.00 N ATOM 1112 CA PRO A 77 14.950 8.284 21.903 1.00 0.00 C ATOM 1113 C PRO A 77 14.903 7.231 23.005 1.00 0.00 C ATOM 1114 O PRO A 77 13.861 7.010 23.621 1.00 0.00 O ATOM 1115 CB PRO A 77 15.854 9.449 22.315 1.00 0.00 C ATOM 1116 CG PRO A 77 14.927 10.460 22.896 1.00 0.00 C ATOM 1117 CD PRO A 77 13.638 10.327 22.133 1.00 0.00 C ATOM 0 HA PRO A 77 15.294 7.752 21.016 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.601 9.132 23.043 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.394 9.853 21.459 1.00 0.00 H new ATOM 0 HG2 PRO A 77 14.771 10.281 23.960 1.00 0.00 H new ATOM 0 HG3 PRO A 77 15.336 11.466 22.799 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.774 10.542 22.762 1.00 0.00 H new ATOM 0 HD3 PRO A 77 13.597 11.016 21.290 1.00 0.00 H new ATOM 1125 N SER A 78 16.039 6.584 23.247 1.00 0.00 N ATOM 1126 CA SER A 78 16.126 5.551 24.273 1.00 0.00 C ATOM 1127 C SER A 78 17.496 5.565 24.943 1.00 0.00 C ATOM 1128 O SER A 78 18.496 5.938 24.329 1.00 0.00 O ATOM 1129 CB SER A 78 15.857 4.173 23.663 1.00 0.00 C ATOM 1130 OG SER A 78 16.131 3.141 24.595 1.00 0.00 O ATOM 0 H SER A 78 16.911 6.757 22.747 1.00 0.00 H new ATOM 0 HA SER A 78 15.369 5.760 25.029 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.817 4.111 23.342 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.474 4.038 22.775 1.00 0.00 H new ATOM 0 HG SER A 78 15.950 2.271 24.182 1.00 0.00 H new ATOM 1136 N SER A 79 17.534 5.155 26.207 1.00 0.00 N ATOM 1137 CA SER A 79 18.780 5.123 26.963 1.00 0.00 C ATOM 1138 C SER A 79 19.629 6.355 26.663 1.00 0.00 C ATOM 1139 O SER A 79 20.846 6.262 26.511 1.00 0.00 O ATOM 1140 CB SER A 79 19.569 3.854 26.634 1.00 0.00 C ATOM 1141 OG SER A 79 19.853 3.775 25.248 1.00 0.00 O ATOM 0 H SER A 79 16.716 4.840 26.729 1.00 0.00 H new ATOM 0 HA SER A 79 18.532 5.123 28.024 1.00 0.00 H new ATOM 0 HB2 SER A 79 20.500 3.844 27.200 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.999 2.977 26.942 1.00 0.00 H new ATOM 0 HG SER A 79 20.359 2.956 25.064 1.00 0.00 H new ATOM 1147 N GLY A 80 18.976 7.510 26.579 1.00 0.00 N ATOM 1148 CA GLY A 80 19.685 8.744 26.297 1.00 0.00 C ATOM 1149 C GLY A 80 19.731 9.673 27.494 1.00 0.00 C ATOM 1150 O GLY A 80 19.900 10.877 27.312 1.00 0.00 O ATOM 0 H GLY A 80 17.969 7.613 26.701 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.702 8.511 25.982 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.203 9.254 25.463 1.00 0.00 H new TER 1154 GLY A 80 HETATM 1155 ZN ZN A 201 -0.726 -12.270 0.689 1.00 0.00 ZN HETATM 1156 ZN ZN A 401 8.253 -2.247 12.198 1.00 0.00 ZN