USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 431 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 48 HIS HE2 : A 48 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -3.08! C(o=-3.1!,f=-5.4!) USER MOD Single : A 16 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.29) USER MOD Single : A 19 THR OG1 : rot -170:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.135 (180deg=-1.01) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 131:sc= 1.38 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -4.65! C(o=-4.7!,f=-7.3!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0.103 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 122:sc= 1.5 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.653 -34.263 -8.277 1.00 0.00 N ATOM 2 CA GLY A 1 -14.054 -34.356 -8.643 1.00 0.00 C ATOM 3 C GLY A 1 -14.551 -33.114 -9.355 1.00 0.00 C ATOM 4 O GLY A 1 -14.632 -32.039 -8.760 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.362 -35.136 -7.793 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.078 -34.134 -9.134 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.513 -33.452 -7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.201 -35.223 -9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.651 -34.520 -7.746 1.00 0.00 H new ATOM 8 N SER A 2 -14.885 -33.259 -10.633 1.00 0.00 N ATOM 9 CA SER A 2 -15.372 -32.139 -11.429 1.00 0.00 C ATOM 10 C SER A 2 -16.873 -32.258 -11.673 1.00 0.00 C ATOM 11 O SER A 2 -17.309 -32.912 -12.621 1.00 0.00 O ATOM 12 CB SER A 2 -14.629 -32.074 -12.765 1.00 0.00 C ATOM 13 OG SER A 2 -13.274 -31.705 -12.578 1.00 0.00 O ATOM 0 H SER A 2 -14.827 -34.142 -11.140 1.00 0.00 H new ATOM 0 HA SER A 2 -15.184 -31.221 -10.873 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.680 -33.044 -13.260 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.118 -31.354 -13.422 1.00 0.00 H new ATOM 0 HG SER A 2 -12.821 -31.672 -13.446 1.00 0.00 H new ATOM 19 N SER A 3 -17.659 -31.620 -10.812 1.00 0.00 N ATOM 20 CA SER A 3 -19.112 -31.657 -10.930 1.00 0.00 C ATOM 21 C SER A 3 -19.728 -30.340 -10.468 1.00 0.00 C ATOM 22 O SER A 3 -19.096 -29.563 -9.755 1.00 0.00 O ATOM 23 CB SER A 3 -19.683 -32.816 -10.111 1.00 0.00 C ATOM 24 OG SER A 3 -19.518 -32.588 -8.722 1.00 0.00 O ATOM 0 H SER A 3 -17.314 -31.071 -10.025 1.00 0.00 H new ATOM 0 HA SER A 3 -19.363 -31.807 -11.980 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.742 -32.940 -10.339 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.185 -33.744 -10.392 1.00 0.00 H new ATOM 0 HG SER A 3 -19.892 -33.342 -8.220 1.00 0.00 H new ATOM 30 N GLY A 4 -20.969 -30.097 -10.882 1.00 0.00 N ATOM 31 CA GLY A 4 -21.651 -28.874 -10.502 1.00 0.00 C ATOM 32 C GLY A 4 -22.798 -28.537 -11.433 1.00 0.00 C ATOM 33 O GLY A 4 -23.593 -29.406 -11.790 1.00 0.00 O ATOM 0 H GLY A 4 -21.513 -30.725 -11.473 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.030 -28.974 -9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.937 -28.050 -10.497 1.00 0.00 H new ATOM 37 N SER A 5 -22.886 -27.270 -11.826 1.00 0.00 N ATOM 38 CA SER A 5 -23.949 -26.819 -12.717 1.00 0.00 C ATOM 39 C SER A 5 -23.635 -25.435 -13.279 1.00 0.00 C ATOM 40 O SER A 5 -23.047 -24.595 -12.598 1.00 0.00 O ATOM 41 CB SER A 5 -25.287 -26.789 -11.977 1.00 0.00 C ATOM 42 OG SER A 5 -26.328 -26.331 -12.822 1.00 0.00 O ATOM 0 H SER A 5 -22.235 -26.538 -11.542 1.00 0.00 H new ATOM 0 HA SER A 5 -24.017 -27.523 -13.546 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.525 -27.787 -11.610 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.209 -26.139 -11.106 1.00 0.00 H new ATOM 0 HG SER A 5 -27.173 -26.323 -12.325 1.00 0.00 H new ATOM 48 N SER A 6 -24.032 -25.206 -14.527 1.00 0.00 N ATOM 49 CA SER A 6 -23.791 -23.927 -15.183 1.00 0.00 C ATOM 50 C SER A 6 -24.118 -22.766 -14.248 1.00 0.00 C ATOM 51 O SER A 6 -25.284 -22.441 -14.029 1.00 0.00 O ATOM 52 CB SER A 6 -24.626 -23.819 -16.460 1.00 0.00 C ATOM 53 OG SER A 6 -24.053 -24.579 -17.510 1.00 0.00 O ATOM 0 H SER A 6 -24.522 -25.890 -15.104 1.00 0.00 H new ATOM 0 HA SER A 6 -22.734 -23.874 -15.443 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.640 -24.168 -16.266 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.701 -22.774 -16.762 1.00 0.00 H new ATOM 0 HG SER A 6 -24.606 -24.495 -18.314 1.00 0.00 H new ATOM 59 N GLY A 7 -23.078 -22.145 -13.699 1.00 0.00 N ATOM 60 CA GLY A 7 -23.274 -21.028 -12.794 1.00 0.00 C ATOM 61 C GLY A 7 -22.526 -19.786 -13.235 1.00 0.00 C ATOM 62 O GLY A 7 -21.637 -19.858 -14.084 1.00 0.00 O ATOM 0 H GLY A 7 -22.103 -22.396 -13.865 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.338 -20.802 -12.726 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.944 -21.312 -11.795 1.00 0.00 H new ATOM 66 N GLN A 8 -22.887 -18.644 -12.659 1.00 0.00 N ATOM 67 CA GLN A 8 -22.244 -17.380 -13.001 1.00 0.00 C ATOM 68 C GLN A 8 -22.433 -16.355 -11.888 1.00 0.00 C ATOM 69 O GLN A 8 -23.538 -15.876 -11.633 1.00 0.00 O ATOM 70 CB GLN A 8 -22.808 -16.835 -14.314 1.00 0.00 C ATOM 71 CG GLN A 8 -24.291 -16.509 -14.250 1.00 0.00 C ATOM 72 CD GLN A 8 -24.893 -16.255 -15.618 1.00 0.00 C ATOM 73 OE1 GLN A 8 -24.208 -15.800 -16.535 1.00 0.00 O ATOM 74 NE2 GLN A 8 -26.180 -16.549 -15.763 1.00 0.00 N ATOM 0 H GLN A 8 -23.620 -18.568 -11.954 1.00 0.00 H new ATOM 0 HA GLN A 8 -21.177 -17.565 -13.122 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -22.258 -15.935 -14.590 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -22.639 -17.567 -15.104 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -24.820 -17.334 -13.772 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -24.439 -15.630 -13.623 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -26.709 -16.924 -14.976 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -26.639 -16.400 -16.661 1.00 0.00 H new ATOM 83 N PRO A 9 -21.330 -16.010 -11.207 1.00 0.00 N ATOM 84 CA PRO A 9 -21.349 -15.038 -10.109 1.00 0.00 C ATOM 85 C PRO A 9 -21.611 -13.617 -10.598 1.00 0.00 C ATOM 86 O PRO A 9 -21.817 -13.389 -11.790 1.00 0.00 O ATOM 87 CB PRO A 9 -19.943 -15.148 -9.514 1.00 0.00 C ATOM 88 CG PRO A 9 -19.095 -15.646 -10.633 1.00 0.00 C ATOM 89 CD PRO A 9 -19.979 -16.542 -11.456 1.00 0.00 C ATOM 0 HA PRO A 9 -22.146 -15.245 -9.395 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.591 -14.183 -9.150 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.924 -15.834 -8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.713 -14.819 -11.231 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.231 -16.192 -10.255 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -19.720 -16.501 -12.514 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -19.894 -17.584 -11.147 1.00 0.00 H new ATOM 97 N SER A 10 -21.601 -12.666 -9.670 1.00 0.00 N ATOM 98 CA SER A 10 -21.840 -11.268 -10.006 1.00 0.00 C ATOM 99 C SER A 10 -20.628 -10.662 -10.706 1.00 0.00 C ATOM 100 O SER A 10 -19.484 -10.840 -10.288 1.00 0.00 O ATOM 101 CB SER A 10 -22.168 -10.467 -8.744 1.00 0.00 C ATOM 102 OG SER A 10 -23.375 -10.916 -8.154 1.00 0.00 O ATOM 0 H SER A 10 -21.430 -12.838 -8.679 1.00 0.00 H new ATOM 0 HA SER A 10 -22.690 -11.224 -10.687 1.00 0.00 H new ATOM 0 HB2 SER A 10 -21.352 -10.562 -8.027 1.00 0.00 H new ATOM 0 HB3 SER A 10 -22.253 -9.409 -8.993 1.00 0.00 H new ATOM 0 HG SER A 10 -23.561 -10.389 -7.349 1.00 0.00 H new ATOM 108 N PRO A 11 -20.883 -9.927 -11.799 1.00 0.00 N ATOM 109 CA PRO A 11 -19.826 -9.278 -12.581 1.00 0.00 C ATOM 110 C PRO A 11 -19.179 -8.119 -11.832 1.00 0.00 C ATOM 111 O PRO A 11 -19.849 -7.191 -11.377 1.00 0.00 O ATOM 112 CB PRO A 11 -20.565 -8.769 -13.821 1.00 0.00 C ATOM 113 CG PRO A 11 -21.977 -8.597 -13.377 1.00 0.00 C ATOM 114 CD PRO A 11 -22.223 -9.672 -12.354 1.00 0.00 C ATOM 0 HA PRO A 11 -19.007 -9.961 -12.807 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -20.144 -7.828 -14.174 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -20.493 -9.480 -14.644 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -22.134 -7.607 -12.948 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -22.665 -8.693 -14.217 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -22.921 -9.342 -11.584 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -22.648 -10.568 -12.807 1.00 0.00 H new ATOM 122 N PRO A 12 -17.845 -8.169 -11.700 1.00 0.00 N ATOM 123 CA PRO A 12 -17.079 -7.129 -11.008 1.00 0.00 C ATOM 124 C PRO A 12 -17.051 -5.816 -11.783 1.00 0.00 C ATOM 125 O PRO A 12 -16.121 -5.556 -12.546 1.00 0.00 O ATOM 126 CB PRO A 12 -15.672 -7.727 -10.917 1.00 0.00 C ATOM 127 CG PRO A 12 -15.596 -8.689 -12.051 1.00 0.00 C ATOM 128 CD PRO A 12 -16.983 -9.244 -12.218 1.00 0.00 C ATOM 0 HA PRO A 12 -17.514 -6.878 -10.041 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.907 -6.955 -11.001 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.516 -8.228 -9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.262 -8.192 -12.962 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.880 -9.484 -11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.203 -9.468 -13.262 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.115 -10.170 -11.659 1.00 0.00 H new ATOM 136 N GLN A 13 -18.074 -4.993 -11.581 1.00 0.00 N ATOM 137 CA GLN A 13 -18.166 -3.707 -12.262 1.00 0.00 C ATOM 138 C GLN A 13 -17.040 -2.777 -11.821 1.00 0.00 C ATOM 139 O GLN A 13 -16.088 -2.543 -12.566 1.00 0.00 O ATOM 140 CB GLN A 13 -19.521 -3.054 -11.984 1.00 0.00 C ATOM 141 CG GLN A 13 -20.148 -3.489 -10.669 1.00 0.00 C ATOM 142 CD GLN A 13 -20.993 -4.740 -10.811 1.00 0.00 C ATOM 143 OE1 GLN A 13 -21.464 -5.064 -11.902 1.00 0.00 O ATOM 144 NE2 GLN A 13 -21.189 -5.450 -9.707 1.00 0.00 N ATOM 0 H GLN A 13 -18.851 -5.193 -10.951 1.00 0.00 H new ATOM 0 HA GLN A 13 -18.069 -3.884 -13.333 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -19.398 -1.971 -11.978 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -20.204 -3.293 -12.799 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -19.360 -3.668 -9.937 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -20.766 -2.680 -10.280 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -20.779 -5.144 -8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -21.749 -6.302 -9.741 1.00 0.00 H new ATOM 153 N ARG A 14 -17.157 -2.248 -10.608 1.00 0.00 N ATOM 154 CA ARG A 14 -16.150 -1.341 -10.069 1.00 0.00 C ATOM 155 C ARG A 14 -15.809 -1.703 -8.627 1.00 0.00 C ATOM 156 O ARG A 14 -15.898 -0.879 -7.716 1.00 0.00 O ATOM 157 CB ARG A 14 -16.644 0.105 -10.141 1.00 0.00 C ATOM 158 CG ARG A 14 -15.529 1.134 -10.052 1.00 0.00 C ATOM 159 CD ARG A 14 -14.681 1.147 -11.314 1.00 0.00 C ATOM 160 NE ARG A 14 -13.638 2.168 -11.262 1.00 0.00 N ATOM 161 CZ ARG A 14 -13.041 2.663 -12.341 1.00 0.00 C ATOM 162 NH1 ARG A 14 -13.382 2.235 -13.548 1.00 0.00 N ATOM 163 NH2 ARG A 14 -12.100 3.590 -12.212 1.00 0.00 N ATOM 0 H ARG A 14 -17.939 -2.432 -9.979 1.00 0.00 H new ATOM 0 HA ARG A 14 -15.248 -1.439 -10.673 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -17.186 0.249 -11.076 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -17.353 0.279 -9.331 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -15.957 2.123 -9.890 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.898 0.915 -9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.223 0.168 -11.453 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -15.320 1.326 -12.179 1.00 0.00 H new ATOM 0 HE ARG A 14 -13.352 2.520 -10.348 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.105 1.523 -13.651 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -12.921 2.618 -14.374 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.835 3.922 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.642 3.970 -13.040 1.00 0.00 H new ATOM 177 N PRO A 15 -15.409 -2.965 -8.411 1.00 0.00 N ATOM 178 CA PRO A 15 -15.047 -3.465 -7.082 1.00 0.00 C ATOM 179 C PRO A 15 -13.743 -2.861 -6.571 1.00 0.00 C ATOM 180 O PRO A 15 -12.778 -2.720 -7.321 1.00 0.00 O ATOM 181 CB PRO A 15 -14.889 -4.972 -7.300 1.00 0.00 C ATOM 182 CG PRO A 15 -14.552 -5.112 -8.744 1.00 0.00 C ATOM 183 CD PRO A 15 -15.280 -4.001 -9.450 1.00 0.00 C ATOM 0 HA PRO A 15 -15.794 -3.205 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -14.102 -5.383 -6.668 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -15.807 -5.506 -7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -13.476 -5.036 -8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -14.862 -6.085 -9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.721 -3.638 -10.312 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -16.254 -4.327 -9.816 1.00 0.00 H new ATOM 191 N ASN A 16 -13.721 -2.507 -5.290 1.00 0.00 N ATOM 192 CA ASN A 16 -12.535 -1.919 -4.680 1.00 0.00 C ATOM 193 C ASN A 16 -11.993 -2.814 -3.570 1.00 0.00 C ATOM 194 O ASN A 16 -12.490 -2.793 -2.443 1.00 0.00 O ATOM 195 CB ASN A 16 -12.859 -0.532 -4.120 1.00 0.00 C ATOM 196 CG ASN A 16 -13.697 0.296 -5.075 1.00 0.00 C ATOM 197 OD1 ASN A 16 -14.912 0.123 -5.161 1.00 0.00 O ATOM 198 ND2 ASN A 16 -13.048 1.202 -5.797 1.00 0.00 N ATOM 0 H ASN A 16 -14.511 -2.617 -4.655 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.770 -1.823 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.391 -0.640 -3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.930 -0.004 -3.905 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.558 1.790 -6.456 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.039 1.310 -5.692 1.00 0.00 H new ATOM 205 N ARG A 17 -10.972 -3.600 -3.896 1.00 0.00 N ATOM 206 CA ARG A 17 -10.363 -4.503 -2.927 1.00 0.00 C ATOM 207 C ARG A 17 -8.889 -4.166 -2.722 1.00 0.00 C ATOM 208 O ARG A 17 -8.147 -3.965 -3.683 1.00 0.00 O ATOM 209 CB ARG A 17 -10.506 -5.954 -3.390 1.00 0.00 C ATOM 210 CG ARG A 17 -11.893 -6.533 -3.161 1.00 0.00 C ATOM 211 CD ARG A 17 -11.864 -8.053 -3.131 1.00 0.00 C ATOM 212 NE ARG A 17 -13.174 -8.631 -3.416 1.00 0.00 N ATOM 213 CZ ARG A 17 -13.594 -8.933 -4.640 1.00 0.00 C ATOM 214 NH1 ARG A 17 -12.810 -8.714 -5.686 1.00 0.00 N ATOM 215 NH2 ARG A 17 -14.800 -9.456 -4.818 1.00 0.00 N ATOM 0 H ARG A 17 -10.549 -3.630 -4.824 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.882 -4.379 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.268 -6.013 -4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.774 -6.568 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.295 -6.157 -2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.564 -6.196 -3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.141 -8.416 -3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.524 -8.390 -2.152 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.801 -8.813 -2.633 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.882 -8.313 -5.553 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.135 -8.947 -6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.406 -9.627 -4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.122 -9.688 -5.758 1.00 0.00 H new ATOM 229 N CYS A 18 -8.471 -4.106 -1.461 1.00 0.00 N ATOM 230 CA CYS A 18 -7.087 -3.793 -1.128 1.00 0.00 C ATOM 231 C CYS A 18 -6.131 -4.783 -1.789 1.00 0.00 C ATOM 232 O CYS A 18 -6.255 -5.995 -1.613 1.00 0.00 O ATOM 233 CB CYS A 18 -6.889 -3.811 0.389 1.00 0.00 C ATOM 234 SG CYS A 18 -5.267 -3.186 0.934 1.00 0.00 S ATOM 0 H CYS A 18 -9.072 -4.270 -0.653 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.866 -2.794 -1.505 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.672 -3.212 0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.013 -4.832 0.749 1.00 0.00 H new ATOM 239 N THR A 19 -5.177 -4.257 -2.551 1.00 0.00 N ATOM 240 CA THR A 19 -4.201 -5.092 -3.238 1.00 0.00 C ATOM 241 C THR A 19 -3.180 -5.664 -2.261 1.00 0.00 C ATOM 242 O THR A 19 -2.184 -6.263 -2.667 1.00 0.00 O ATOM 243 CB THR A 19 -3.459 -4.303 -4.334 1.00 0.00 C ATOM 244 OG1 THR A 19 -4.365 -3.413 -4.995 1.00 0.00 O ATOM 245 CG2 THR A 19 -2.835 -5.247 -5.351 1.00 0.00 C ATOM 0 H THR A 19 -5.060 -3.256 -2.708 1.00 0.00 H new ATOM 0 HA THR A 19 -4.755 -5.909 -3.700 1.00 0.00 H new ATOM 0 HB THR A 19 -2.664 -3.726 -3.861 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.931 -3.033 -5.787 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.317 -4.668 -6.115 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.124 -5.904 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.616 -5.847 -5.818 1.00 0.00 H new ATOM 253 N VAL A 20 -3.435 -5.476 -0.970 1.00 0.00 N ATOM 254 CA VAL A 20 -2.539 -5.975 0.067 1.00 0.00 C ATOM 255 C VAL A 20 -3.248 -6.977 0.970 1.00 0.00 C ATOM 256 O VAL A 20 -2.705 -8.036 1.287 1.00 0.00 O ATOM 257 CB VAL A 20 -1.983 -4.826 0.929 1.00 0.00 C ATOM 258 CG1 VAL A 20 -1.223 -5.376 2.126 1.00 0.00 C ATOM 259 CG2 VAL A 20 -1.095 -3.916 0.095 1.00 0.00 C ATOM 0 H VAL A 20 -4.255 -4.982 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.712 -6.471 -0.441 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.821 -4.236 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.838 -4.550 2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.893 -5.982 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.393 -5.991 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.711 -3.110 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.261 -4.491 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.675 -3.494 -0.726 1.00 0.00 H new ATOM 269 N CYS A 21 -4.464 -6.637 1.383 1.00 0.00 N ATOM 270 CA CYS A 21 -5.249 -7.506 2.250 1.00 0.00 C ATOM 271 C CYS A 21 -6.633 -7.759 1.658 1.00 0.00 C ATOM 272 O CYS A 21 -7.413 -8.547 2.193 1.00 0.00 O ATOM 273 CB CYS A 21 -5.384 -6.886 3.642 1.00 0.00 C ATOM 274 SG CYS A 21 -6.362 -5.349 3.680 1.00 0.00 S ATOM 0 H CYS A 21 -4.928 -5.764 1.130 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.728 -8.460 2.333 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.845 -7.614 4.309 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.388 -6.680 4.034 1.00 0.00 H new ATOM 279 N ARG A 22 -6.929 -7.086 0.552 1.00 0.00 N ATOM 280 CA ARG A 22 -8.218 -7.236 -0.112 1.00 0.00 C ATOM 281 C ARG A 22 -9.364 -7.097 0.886 1.00 0.00 C ATOM 282 O ARG A 22 -10.215 -7.980 0.998 1.00 0.00 O ATOM 283 CB ARG A 22 -8.300 -8.594 -0.812 1.00 0.00 C ATOM 284 CG ARG A 22 -7.299 -8.757 -1.945 1.00 0.00 C ATOM 285 CD ARG A 22 -5.938 -9.194 -1.427 1.00 0.00 C ATOM 286 NE ARG A 22 -5.906 -10.618 -1.103 1.00 0.00 N ATOM 287 CZ ARG A 22 -4.794 -11.344 -1.089 1.00 0.00 C ATOM 288 NH1 ARG A 22 -3.628 -10.783 -1.379 1.00 0.00 N ATOM 289 NH2 ARG A 22 -4.847 -12.634 -0.785 1.00 0.00 N ATOM 0 H ARG A 22 -6.294 -6.431 0.096 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.309 -6.445 -0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.136 -9.382 -0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.307 -8.730 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.671 -9.492 -2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.199 -7.814 -2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.178 -8.976 -2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.685 -8.615 -0.539 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.786 -11.080 -0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.583 -9.791 -1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.776 -11.343 -1.367 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.742 -13.069 -0.562 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.993 -13.191 -0.774 1.00 0.00 H new ATOM 303 N LYS A 23 -9.378 -5.983 1.610 1.00 0.00 N ATOM 304 CA LYS A 23 -10.419 -5.727 2.599 1.00 0.00 C ATOM 305 C LYS A 23 -11.576 -4.949 1.982 1.00 0.00 C ATOM 306 O LYS A 23 -12.222 -4.142 2.652 1.00 0.00 O ATOM 307 CB LYS A 23 -9.843 -4.950 3.785 1.00 0.00 C ATOM 308 CG LYS A 23 -9.579 -3.485 3.482 1.00 0.00 C ATOM 309 CD LYS A 23 -9.717 -2.624 4.727 1.00 0.00 C ATOM 310 CE LYS A 23 -11.150 -2.149 4.920 1.00 0.00 C ATOM 311 NZ LYS A 23 -12.026 -3.230 5.450 1.00 0.00 N ATOM 0 H LYS A 23 -8.680 -5.243 1.531 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.797 -6.687 2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.535 -5.020 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.912 -5.421 4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.576 -3.373 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.277 -3.139 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.400 -3.193 5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.054 -1.762 4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.163 -1.302 5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.546 -1.794 3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.849 -2.808 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.350 -3.830 4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.492 -3.808 6.130 1.00 0.00 H new ATOM 325 N ARG A 24 -11.834 -5.197 0.702 1.00 0.00 N ATOM 326 CA ARG A 24 -12.915 -4.520 -0.005 1.00 0.00 C ATOM 327 C ARG A 24 -12.939 -3.033 0.336 1.00 0.00 C ATOM 328 O ARG A 24 -14.006 -2.430 0.455 1.00 0.00 O ATOM 329 CB ARG A 24 -14.261 -5.156 0.346 1.00 0.00 C ATOM 330 CG ARG A 24 -14.463 -6.531 -0.270 1.00 0.00 C ATOM 331 CD ARG A 24 -13.999 -7.635 0.667 1.00 0.00 C ATOM 332 NE ARG A 24 -14.473 -8.950 0.241 1.00 0.00 N ATOM 333 CZ ARG A 24 -14.653 -9.970 1.071 1.00 0.00 C ATOM 334 NH1 ARG A 24 -14.402 -9.829 2.365 1.00 0.00 N ATOM 335 NH2 ARG A 24 -15.087 -11.136 0.608 1.00 0.00 N ATOM 0 H ARG A 24 -11.309 -5.862 0.133 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.739 -4.628 -1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.344 -5.237 1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -15.063 -4.497 0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -15.517 -6.673 -0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.913 -6.594 -1.209 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.910 -7.639 0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.358 -7.429 1.675 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.677 -9.092 -0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.070 -8.935 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.541 -10.615 3.000 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.283 -11.249 -0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.225 -11.919 1.247 1.00 0.00 H new ATOM 349 N VAL A 25 -11.756 -2.447 0.492 1.00 0.00 N ATOM 350 CA VAL A 25 -11.641 -1.031 0.819 1.00 0.00 C ATOM 351 C VAL A 25 -12.698 -0.211 0.088 1.00 0.00 C ATOM 352 O VAL A 25 -12.762 -0.215 -1.141 1.00 0.00 O ATOM 353 CB VAL A 25 -10.246 -0.484 0.462 1.00 0.00 C ATOM 354 CG1 VAL A 25 -9.169 -1.212 1.252 1.00 0.00 C ATOM 355 CG2 VAL A 25 -9.994 -0.603 -1.033 1.00 0.00 C ATOM 0 H VAL A 25 -10.863 -2.931 0.397 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.794 -0.941 1.894 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.209 0.572 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.190 -0.812 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.342 -1.070 2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.202 -2.276 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.004 -0.212 -1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.050 -1.651 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.747 -0.032 -1.576 1.00 0.00 H new ATOM 365 N GLY A 26 -13.527 0.494 0.853 1.00 0.00 N ATOM 366 CA GLY A 26 -14.571 1.310 0.261 1.00 0.00 C ATOM 367 C GLY A 26 -14.629 2.701 0.860 1.00 0.00 C ATOM 368 O GLY A 26 -13.955 3.617 0.389 1.00 0.00 O ATOM 0 H GLY A 26 -13.494 0.514 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.403 1.387 -0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.534 0.818 0.398 1.00 0.00 H new ATOM 372 N LEU A 27 -15.439 2.861 1.901 1.00 0.00 N ATOM 373 CA LEU A 27 -15.585 4.151 2.566 1.00 0.00 C ATOM 374 C LEU A 27 -14.233 4.841 2.718 1.00 0.00 C ATOM 375 O LEU A 27 -14.105 6.041 2.472 1.00 0.00 O ATOM 376 CB LEU A 27 -16.235 3.969 3.939 1.00 0.00 C ATOM 377 CG LEU A 27 -17.751 3.775 3.943 1.00 0.00 C ATOM 378 CD1 LEU A 27 -18.448 4.993 3.358 1.00 0.00 C ATOM 379 CD2 LEU A 27 -18.130 2.520 3.170 1.00 0.00 C ATOM 0 H LEU A 27 -16.005 2.113 2.303 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.226 4.780 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.777 3.107 4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.999 4.841 4.549 1.00 0.00 H new ATOM 0 HG LEU A 27 -18.079 3.656 4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -19.527 4.836 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -18.203 5.873 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -18.115 5.145 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.213 2.398 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.788 2.610 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -17.661 1.652 3.633 1.00 0.00 H new ATOM 391 N THR A 28 -13.225 4.075 3.123 1.00 0.00 N ATOM 392 CA THR A 28 -11.883 4.612 3.307 1.00 0.00 C ATOM 393 C THR A 28 -10.884 3.923 2.384 1.00 0.00 C ATOM 394 O THR A 28 -9.830 3.465 2.824 1.00 0.00 O ATOM 395 CB THR A 28 -11.410 4.456 4.764 1.00 0.00 C ATOM 396 OG1 THR A 28 -11.563 3.096 5.186 1.00 0.00 O ATOM 397 CG2 THR A 28 -12.198 5.371 5.690 1.00 0.00 C ATOM 0 H THR A 28 -13.313 3.080 3.330 1.00 0.00 H new ATOM 0 HA THR A 28 -11.931 5.673 3.060 1.00 0.00 H new ATOM 0 HB THR A 28 -10.357 4.735 4.813 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.258 3.005 6.113 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.846 5.243 6.714 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.056 6.408 5.384 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.257 5.119 5.636 1.00 0.00 H new ATOM 405 N GLY A 29 -11.222 3.853 1.100 1.00 0.00 N ATOM 406 CA GLY A 29 -10.343 3.218 0.135 1.00 0.00 C ATOM 407 C GLY A 29 -9.416 4.207 -0.543 1.00 0.00 C ATOM 408 O GLY A 29 -9.846 4.993 -1.388 1.00 0.00 O ATOM 0 H GLY A 29 -12.089 4.225 0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.750 2.454 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.943 2.711 -0.620 1.00 0.00 H new ATOM 412 N PHE A 30 -8.141 4.171 -0.172 1.00 0.00 N ATOM 413 CA PHE A 30 -7.150 5.073 -0.748 1.00 0.00 C ATOM 414 C PHE A 30 -6.576 4.496 -2.039 1.00 0.00 C ATOM 415 O PHE A 30 -6.478 3.280 -2.198 1.00 0.00 O ATOM 416 CB PHE A 30 -6.024 5.334 0.253 1.00 0.00 C ATOM 417 CG PHE A 30 -6.458 6.133 1.449 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.306 5.583 2.395 1.00 0.00 C ATOM 419 CD2 PHE A 30 -6.016 7.435 1.626 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.708 6.316 3.496 1.00 0.00 C ATOM 421 CE2 PHE A 30 -6.414 8.173 2.725 1.00 0.00 C ATOM 422 CZ PHE A 30 -7.260 7.612 3.662 1.00 0.00 C ATOM 0 H PHE A 30 -7.769 3.526 0.526 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.645 6.016 -0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.620 4.379 0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.215 5.861 -0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.658 4.569 2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.353 7.878 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.372 5.876 4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.064 9.187 2.851 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.571 8.186 4.523 1.00 0.00 H new ATOM 432 N MET A 31 -6.197 5.379 -2.957 1.00 0.00 N ATOM 433 CA MET A 31 -5.631 4.959 -4.234 1.00 0.00 C ATOM 434 C MET A 31 -4.209 5.485 -4.398 1.00 0.00 C ATOM 435 O MET A 31 -4.001 6.663 -4.687 1.00 0.00 O ATOM 436 CB MET A 31 -6.505 5.450 -5.390 1.00 0.00 C ATOM 437 CG MET A 31 -6.186 4.784 -6.718 1.00 0.00 C ATOM 438 SD MET A 31 -7.547 4.893 -7.895 1.00 0.00 S ATOM 439 CE MET A 31 -7.293 3.397 -8.847 1.00 0.00 C ATOM 0 H MET A 31 -6.271 6.390 -2.841 1.00 0.00 H new ATOM 0 HA MET A 31 -5.600 3.870 -4.248 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.552 5.270 -5.145 1.00 0.00 H new ATOM 0 HB3 MET A 31 -6.383 6.528 -5.495 1.00 0.00 H new ATOM 0 HG2 MET A 31 -5.300 5.249 -7.149 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.944 3.735 -6.545 1.00 0.00 H new ATOM 0 HE1 MET A 31 -8.060 3.322 -9.618 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.309 3.426 -9.315 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.356 2.531 -8.188 1.00 0.00 H new ATOM 449 N CYS A 32 -3.232 4.603 -4.211 1.00 0.00 N ATOM 450 CA CYS A 32 -1.829 4.978 -4.337 1.00 0.00 C ATOM 451 C CYS A 32 -1.564 5.652 -5.681 1.00 0.00 C ATOM 452 O CYS A 32 -2.413 5.635 -6.573 1.00 0.00 O ATOM 453 CB CYS A 32 -0.934 3.746 -4.187 1.00 0.00 C ATOM 454 SG CYS A 32 0.809 4.132 -3.827 1.00 0.00 S ATOM 0 H CYS A 32 -3.387 3.624 -3.972 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.596 5.687 -3.542 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.329 3.119 -3.388 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.983 3.161 -5.105 1.00 0.00 H new ATOM 459 N ARG A 33 -0.382 6.244 -5.817 1.00 0.00 N ATOM 460 CA ARG A 33 -0.006 6.924 -7.050 1.00 0.00 C ATOM 461 C ARG A 33 0.304 5.916 -8.154 1.00 0.00 C ATOM 462 O ARG A 33 -0.074 6.109 -9.309 1.00 0.00 O ATOM 463 CB ARG A 33 1.207 7.825 -6.812 1.00 0.00 C ATOM 464 CG ARG A 33 2.424 7.081 -6.286 1.00 0.00 C ATOM 465 CD ARG A 33 3.333 7.998 -5.483 1.00 0.00 C ATOM 466 NE ARG A 33 4.035 8.955 -6.334 1.00 0.00 N ATOM 467 CZ ARG A 33 3.601 10.189 -6.565 1.00 0.00 C ATOM 468 NH1 ARG A 33 2.474 10.613 -6.011 1.00 0.00 N ATOM 469 NH2 ARG A 33 4.296 11.002 -7.351 1.00 0.00 N ATOM 0 H ARG A 33 0.331 6.266 -5.088 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.849 7.538 -7.368 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.470 8.320 -7.747 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.935 8.607 -6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.101 6.249 -5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.981 6.655 -7.121 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.742 8.537 -4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.060 7.399 -4.935 1.00 0.00 H new ATOM 0 HE ARG A 33 4.906 8.660 -6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 33 1.938 9.991 -5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.143 11.561 -6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.164 10.679 -7.778 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.962 11.949 -7.528 1.00 0.00 H new ATOM 483 N CYS A 34 0.996 4.842 -7.789 1.00 0.00 N ATOM 484 CA CYS A 34 1.359 3.804 -8.747 1.00 0.00 C ATOM 485 C CYS A 34 0.167 3.431 -9.623 1.00 0.00 C ATOM 486 O CYS A 34 0.318 3.159 -10.813 1.00 0.00 O ATOM 487 CB CYS A 34 1.876 2.564 -8.015 1.00 0.00 C ATOM 488 SG CYS A 34 1.039 2.232 -6.432 1.00 0.00 S ATOM 0 H CYS A 34 1.317 4.668 -6.837 1.00 0.00 H new ATOM 0 HA CYS A 34 2.149 4.196 -9.387 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.759 1.697 -8.665 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.944 2.683 -7.831 1.00 0.00 H new ATOM 493 N GLY A 35 -1.021 3.421 -9.024 1.00 0.00 N ATOM 494 CA GLY A 35 -2.222 3.081 -9.763 1.00 0.00 C ATOM 495 C GLY A 35 -2.952 1.893 -9.168 1.00 0.00 C ATOM 496 O GLY A 35 -3.471 1.045 -9.895 1.00 0.00 O ATOM 0 H GLY A 35 -1.172 3.643 -8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.890 3.942 -9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.958 2.861 -10.797 1.00 0.00 H new ATOM 500 N THR A 36 -2.991 1.829 -7.841 1.00 0.00 N ATOM 501 CA THR A 36 -3.660 0.735 -7.148 1.00 0.00 C ATOM 502 C THR A 36 -4.490 1.250 -5.978 1.00 0.00 C ATOM 503 O THR A 36 -4.444 2.435 -5.645 1.00 0.00 O ATOM 504 CB THR A 36 -2.648 -0.303 -6.627 1.00 0.00 C ATOM 505 OG1 THR A 36 -1.536 0.362 -6.017 1.00 0.00 O ATOM 506 CG2 THR A 36 -2.155 -1.193 -7.757 1.00 0.00 C ATOM 0 H THR A 36 -2.567 2.522 -7.224 1.00 0.00 H new ATOM 0 HA THR A 36 -4.318 0.258 -7.874 1.00 0.00 H new ATOM 0 HB THR A 36 -3.149 -0.927 -5.887 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.356 -0.038 -5.141 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.442 -1.918 -7.365 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.000 -1.719 -8.201 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.669 -0.581 -8.517 1.00 0.00 H new ATOM 514 N THR A 37 -5.249 0.354 -5.356 1.00 0.00 N ATOM 515 CA THR A 37 -6.090 0.718 -4.223 1.00 0.00 C ATOM 516 C THR A 37 -5.690 -0.054 -2.971 1.00 0.00 C ATOM 517 O THR A 37 -5.455 -1.261 -3.022 1.00 0.00 O ATOM 518 CB THR A 37 -7.578 0.456 -4.521 1.00 0.00 C ATOM 519 OG1 THR A 37 -7.911 0.946 -5.824 1.00 0.00 O ATOM 520 CG2 THR A 37 -8.464 1.125 -3.481 1.00 0.00 C ATOM 0 H THR A 37 -5.299 -0.630 -5.618 1.00 0.00 H new ATOM 0 HA THR A 37 -5.944 1.784 -4.051 1.00 0.00 H new ATOM 0 HB THR A 37 -7.749 -0.620 -4.484 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.858 0.774 -6.006 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.510 0.926 -3.712 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.229 0.728 -2.493 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.288 2.201 -3.491 1.00 0.00 H new ATOM 528 N PHE A 38 -5.616 0.650 -1.846 1.00 0.00 N ATOM 529 CA PHE A 38 -5.244 0.030 -0.580 1.00 0.00 C ATOM 530 C PHE A 38 -6.132 0.535 0.554 1.00 0.00 C ATOM 531 O PHE A 38 -6.957 1.428 0.361 1.00 0.00 O ATOM 532 CB PHE A 38 -3.776 0.317 -0.259 1.00 0.00 C ATOM 533 CG PHE A 38 -2.831 -0.096 -1.351 1.00 0.00 C ATOM 534 CD1 PHE A 38 -2.492 -1.428 -1.524 1.00 0.00 C ATOM 535 CD2 PHE A 38 -2.284 0.848 -2.205 1.00 0.00 C ATOM 536 CE1 PHE A 38 -1.622 -1.810 -2.528 1.00 0.00 C ATOM 537 CE2 PHE A 38 -1.414 0.472 -3.211 1.00 0.00 C ATOM 538 CZ PHE A 38 -1.084 -0.860 -3.374 1.00 0.00 C ATOM 0 H PHE A 38 -5.809 1.650 -1.786 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.384 -1.047 -0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.656 1.384 -0.070 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.505 -0.202 0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.912 -2.176 -0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.540 1.890 -2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.363 -2.851 -2.651 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.993 1.218 -3.869 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.407 -1.157 -4.161 1.00 0.00 H new ATOM 548 N CYS A 39 -5.958 -0.045 1.737 1.00 0.00 N ATOM 549 CA CYS A 39 -6.743 0.343 2.902 1.00 0.00 C ATOM 550 C CYS A 39 -6.045 1.453 3.683 1.00 0.00 C ATOM 551 O CYS A 39 -4.929 1.851 3.353 1.00 0.00 O ATOM 552 CB CYS A 39 -6.976 -0.866 3.812 1.00 0.00 C ATOM 553 SG CYS A 39 -5.446 -1.682 4.370 1.00 0.00 S ATOM 0 H CYS A 39 -5.280 -0.786 1.914 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.705 0.718 2.552 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.544 -0.546 4.686 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.591 -1.593 3.282 1.00 0.00 H new ATOM 558 N GLY A 40 -6.713 1.949 4.720 1.00 0.00 N ATOM 559 CA GLY A 40 -6.142 3.008 5.532 1.00 0.00 C ATOM 560 C GLY A 40 -4.869 2.579 6.234 1.00 0.00 C ATOM 561 O GLY A 40 -4.067 3.417 6.647 1.00 0.00 O ATOM 0 H GLY A 40 -7.639 1.637 5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.932 3.872 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.873 3.326 6.275 1.00 0.00 H new ATOM 565 N SER A 41 -4.684 1.270 6.372 1.00 0.00 N ATOM 566 CA SER A 41 -3.502 0.731 7.035 1.00 0.00 C ATOM 567 C SER A 41 -2.413 0.401 6.019 1.00 0.00 C ATOM 568 O SER A 41 -1.226 0.388 6.347 1.00 0.00 O ATOM 569 CB SER A 41 -3.867 -0.522 7.834 1.00 0.00 C ATOM 570 OG SER A 41 -4.409 -0.180 9.098 1.00 0.00 O ATOM 0 H SER A 41 -5.337 0.563 6.034 1.00 0.00 H new ATOM 0 HA SER A 41 -3.120 1.490 7.718 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.589 -1.117 7.274 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.981 -1.141 7.970 1.00 0.00 H new ATOM 0 HG SER A 41 -4.636 -0.997 9.589 1.00 0.00 H new ATOM 576 N HIS A 42 -2.826 0.134 4.784 1.00 0.00 N ATOM 577 CA HIS A 42 -1.886 -0.196 3.718 1.00 0.00 C ATOM 578 C HIS A 42 -1.922 0.858 2.616 1.00 0.00 C ATOM 579 O HIS A 42 -1.563 0.585 1.471 1.00 0.00 O ATOM 580 CB HIS A 42 -2.206 -1.572 3.135 1.00 0.00 C ATOM 581 CG HIS A 42 -2.136 -2.680 4.140 1.00 0.00 C ATOM 582 ND1 HIS A 42 -2.726 -3.911 3.946 1.00 0.00 N ATOM 583 CD2 HIS A 42 -1.538 -2.738 5.353 1.00 0.00 C ATOM 584 CE1 HIS A 42 -2.496 -4.678 4.997 1.00 0.00 C ATOM 585 NE2 HIS A 42 -1.777 -3.990 5.866 1.00 0.00 N ATOM 0 H HIS A 42 -3.805 0.140 4.497 1.00 0.00 H new ATOM 0 HA HIS A 42 -0.883 -0.215 4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.205 -1.550 2.700 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -1.510 -1.784 2.323 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.977 -1.947 5.829 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.838 -5.695 5.124 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.452 -4.332 6.770 1.00 0.00 H new ATOM 593 N ARG A 43 -2.359 2.063 2.970 1.00 0.00 N ATOM 594 CA ARG A 43 -2.444 3.157 2.010 1.00 0.00 C ATOM 595 C ARG A 43 -1.054 3.674 1.651 1.00 0.00 C ATOM 596 O ARG A 43 -0.818 4.122 0.528 1.00 0.00 O ATOM 597 CB ARG A 43 -3.293 4.296 2.577 1.00 0.00 C ATOM 598 CG ARG A 43 -2.625 5.043 3.719 1.00 0.00 C ATOM 599 CD ARG A 43 -3.566 6.061 4.345 1.00 0.00 C ATOM 600 NE ARG A 43 -2.966 6.724 5.500 1.00 0.00 N ATOM 601 CZ ARG A 43 -3.673 7.276 6.479 1.00 0.00 C ATOM 602 NH1 ARG A 43 -4.998 7.245 6.444 1.00 0.00 N ATOM 603 NH2 ARG A 43 -3.054 7.861 7.497 1.00 0.00 N ATOM 0 H ARG A 43 -2.659 2.306 3.914 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.917 2.777 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.521 5.001 1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.243 3.891 2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.299 4.332 4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.732 5.549 3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.839 6.808 3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.487 5.564 4.650 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.948 6.765 5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.477 6.796 5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.538 7.670 7.198 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.035 7.887 7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.598 8.285 8.249 1.00 0.00 H new ATOM 617 N TYR A 44 -0.138 3.610 2.611 1.00 0.00 N ATOM 618 CA TYR A 44 1.227 4.075 2.397 1.00 0.00 C ATOM 619 C TYR A 44 1.951 3.192 1.384 1.00 0.00 C ATOM 620 O TYR A 44 1.678 1.999 1.256 1.00 0.00 O ATOM 621 CB TYR A 44 1.996 4.090 3.719 1.00 0.00 C ATOM 622 CG TYR A 44 1.511 5.143 4.690 1.00 0.00 C ATOM 623 CD1 TYR A 44 1.371 6.467 4.296 1.00 0.00 C ATOM 624 CD2 TYR A 44 1.193 4.812 6.001 1.00 0.00 C ATOM 625 CE1 TYR A 44 0.929 7.433 5.180 1.00 0.00 C ATOM 626 CE2 TYR A 44 0.749 5.771 6.892 1.00 0.00 C ATOM 627 CZ TYR A 44 0.619 7.079 6.476 1.00 0.00 C ATOM 628 OH TYR A 44 0.178 8.038 7.359 1.00 0.00 O ATOM 0 H TYR A 44 -0.316 3.241 3.545 1.00 0.00 H new ATOM 0 HA TYR A 44 1.180 5.089 2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.914 3.110 4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.053 4.257 3.513 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.612 6.747 3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.294 3.788 6.330 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.827 8.459 4.858 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.505 5.497 7.908 1.00 0.00 H new ATOM 0 HH TYR A 44 0.002 7.625 8.230 1.00 0.00 H new ATOM 638 N PRO A 45 2.897 3.793 0.647 1.00 0.00 N ATOM 639 CA PRO A 45 3.681 3.081 -0.366 1.00 0.00 C ATOM 640 C PRO A 45 4.656 2.084 0.250 1.00 0.00 C ATOM 641 O PRO A 45 4.796 0.961 -0.233 1.00 0.00 O ATOM 642 CB PRO A 45 4.442 4.203 -1.078 1.00 0.00 C ATOM 643 CG PRO A 45 4.533 5.297 -0.071 1.00 0.00 C ATOM 644 CD PRO A 45 3.274 5.213 0.747 1.00 0.00 C ATOM 0 HA PRO A 45 3.049 2.488 -1.028 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.431 3.872 -1.394 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.915 4.532 -1.974 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.415 5.176 0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.618 6.269 -0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.446 5.511 1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.494 5.865 0.353 1.00 0.00 H new ATOM 652 N GLU A 46 5.326 2.502 1.319 1.00 0.00 N ATOM 653 CA GLU A 46 6.288 1.644 2.000 1.00 0.00 C ATOM 654 C GLU A 46 5.636 0.335 2.437 1.00 0.00 C ATOM 655 O GLU A 46 6.253 -0.729 2.380 1.00 0.00 O ATOM 656 CB GLU A 46 6.877 2.364 3.216 1.00 0.00 C ATOM 657 CG GLU A 46 5.927 2.436 4.399 1.00 0.00 C ATOM 658 CD GLU A 46 6.169 3.655 5.268 1.00 0.00 C ATOM 659 OE1 GLU A 46 6.159 4.781 4.727 1.00 0.00 O ATOM 660 OE2 GLU A 46 6.368 3.483 6.489 1.00 0.00 O ATOM 0 H GLU A 46 5.220 3.429 1.732 1.00 0.00 H new ATOM 0 HA GLU A 46 7.090 1.414 1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.789 1.853 3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.161 3.376 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.900 2.452 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.037 1.536 5.004 1.00 0.00 H new ATOM 667 N VAL A 47 4.384 0.422 2.875 1.00 0.00 N ATOM 668 CA VAL A 47 3.647 -0.754 3.321 1.00 0.00 C ATOM 669 C VAL A 47 3.604 -1.822 2.234 1.00 0.00 C ATOM 670 O VAL A 47 3.950 -2.980 2.471 1.00 0.00 O ATOM 671 CB VAL A 47 2.206 -0.393 3.727 1.00 0.00 C ATOM 672 CG1 VAL A 47 1.437 -1.640 4.134 1.00 0.00 C ATOM 673 CG2 VAL A 47 2.211 0.631 4.853 1.00 0.00 C ATOM 0 H VAL A 47 3.859 1.295 2.930 1.00 0.00 H new ATOM 0 HA VAL A 47 4.175 -1.146 4.191 1.00 0.00 H new ATOM 0 HB VAL A 47 1.705 0.049 2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.421 -1.365 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.404 -2.337 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.934 -2.114 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.185 0.875 5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.730 0.218 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.722 1.535 4.521 1.00 0.00 H new ATOM 683 N HIS A 48 3.179 -1.425 1.039 1.00 0.00 N ATOM 684 CA HIS A 48 3.092 -2.348 -0.087 1.00 0.00 C ATOM 685 C HIS A 48 4.292 -2.187 -1.015 1.00 0.00 C ATOM 686 O HIS A 48 4.161 -2.267 -2.236 1.00 0.00 O ATOM 687 CB HIS A 48 1.796 -2.115 -0.865 1.00 0.00 C ATOM 688 CG HIS A 48 1.727 -0.773 -1.527 1.00 0.00 C ATOM 689 ND1 HIS A 48 1.069 0.305 -0.974 1.00 0.00 N ATOM 690 CD2 HIS A 48 2.240 -0.337 -2.701 1.00 0.00 C ATOM 691 CE1 HIS A 48 1.178 1.346 -1.780 1.00 0.00 C ATOM 692 NE2 HIS A 48 1.885 0.982 -2.835 1.00 0.00 N ATOM 0 H HIS A 48 2.890 -0.471 0.825 1.00 0.00 H new ATOM 0 HA HIS A 48 3.093 -3.364 0.307 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.693 -2.891 -1.624 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.950 -2.220 -0.185 1.00 0.00 H new ATOM 0 HD1 HIS A 48 0.575 0.300 -0.082 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.821 -0.919 -3.402 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.761 2.327 -1.606 1.00 0.00 H new ATOM 700 N GLY A 49 5.463 -1.959 -0.427 1.00 0.00 N ATOM 701 CA GLY A 49 6.669 -1.790 -1.216 1.00 0.00 C ATOM 702 C GLY A 49 6.393 -1.168 -2.571 1.00 0.00 C ATOM 703 O GLY A 49 6.641 -1.786 -3.608 1.00 0.00 O ATOM 0 H GLY A 49 5.597 -1.888 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.373 -1.163 -0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.147 -2.760 -1.355 1.00 0.00 H new ATOM 707 N CYS A 50 5.877 0.056 -2.565 1.00 0.00 N ATOM 708 CA CYS A 50 5.565 0.761 -3.802 1.00 0.00 C ATOM 709 C CYS A 50 6.646 0.523 -4.852 1.00 0.00 C ATOM 710 O CYS A 50 7.840 0.580 -4.554 1.00 0.00 O ATOM 711 CB CYS A 50 5.418 2.261 -3.536 1.00 0.00 C ATOM 712 SG CYS A 50 4.552 3.169 -4.856 1.00 0.00 S ATOM 0 H CYS A 50 5.666 0.581 -1.716 1.00 0.00 H new ATOM 0 HA CYS A 50 4.621 0.372 -4.184 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.879 2.402 -2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.409 2.694 -3.402 1.00 0.00 H new ATOM 717 N THR A 51 6.220 0.256 -6.082 1.00 0.00 N ATOM 718 CA THR A 51 7.151 0.009 -7.176 1.00 0.00 C ATOM 719 C THR A 51 7.691 1.316 -7.745 1.00 0.00 C ATOM 720 O THR A 51 7.819 1.470 -8.959 1.00 0.00 O ATOM 721 CB THR A 51 6.484 -0.794 -8.310 1.00 0.00 C ATOM 722 OG1 THR A 51 5.350 -0.081 -8.814 1.00 0.00 O ATOM 723 CG2 THR A 51 6.049 -2.166 -7.818 1.00 0.00 C ATOM 0 H THR A 51 5.236 0.205 -6.346 1.00 0.00 H new ATOM 0 HA THR A 51 7.976 -0.573 -6.764 1.00 0.00 H new ATOM 0 HB THR A 51 7.214 -0.926 -9.109 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.933 -0.597 -9.535 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.581 -2.714 -8.636 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.919 -2.718 -7.462 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.335 -2.051 -7.003 1.00 0.00 H new ATOM 731 N PHE A 52 8.008 2.254 -6.859 1.00 0.00 N ATOM 732 CA PHE A 52 8.536 3.549 -7.273 1.00 0.00 C ATOM 733 C PHE A 52 10.061 3.553 -7.236 1.00 0.00 C ATOM 734 O PHE A 52 10.669 3.209 -6.222 1.00 0.00 O ATOM 735 CB PHE A 52 7.990 4.658 -6.370 1.00 0.00 C ATOM 736 CG PHE A 52 7.865 5.986 -7.061 1.00 0.00 C ATOM 737 CD1 PHE A 52 8.985 6.764 -7.304 1.00 0.00 C ATOM 738 CD2 PHE A 52 6.626 6.456 -7.467 1.00 0.00 C ATOM 739 CE1 PHE A 52 8.873 7.986 -7.940 1.00 0.00 C ATOM 740 CE2 PHE A 52 6.508 7.677 -8.103 1.00 0.00 C ATOM 741 CZ PHE A 52 7.632 8.444 -8.339 1.00 0.00 C ATOM 0 H PHE A 52 7.909 2.142 -5.850 1.00 0.00 H new ATOM 0 HA PHE A 52 8.215 3.733 -8.298 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.012 4.360 -5.993 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.645 4.767 -5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.957 6.412 -6.993 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.743 5.861 -7.284 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.754 8.582 -8.125 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.537 8.032 -8.416 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.541 9.399 -8.834 1.00 0.00 H new ATOM 751 N ASP A 53 10.673 3.942 -8.349 1.00 0.00 N ATOM 752 CA ASP A 53 12.127 3.991 -8.446 1.00 0.00 C ATOM 753 C ASP A 53 12.573 5.124 -9.365 1.00 0.00 C ATOM 754 O ASP A 53 11.971 5.361 -10.413 1.00 0.00 O ATOM 755 CB ASP A 53 12.670 2.657 -8.959 1.00 0.00 C ATOM 756 CG ASP A 53 14.107 2.416 -8.539 1.00 0.00 C ATOM 757 OD1 ASP A 53 14.322 1.952 -7.399 1.00 0.00 O ATOM 758 OD2 ASP A 53 15.016 2.691 -9.349 1.00 0.00 O ATOM 0 H ASP A 53 10.184 4.228 -9.197 1.00 0.00 H new ATOM 0 HA ASP A 53 12.527 4.178 -7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.045 1.846 -8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.604 2.636 -10.047 1.00 0.00 H new ATOM 763 N PHE A 54 13.630 5.822 -8.965 1.00 0.00 N ATOM 764 CA PHE A 54 14.156 6.932 -9.751 1.00 0.00 C ATOM 765 C PHE A 54 15.212 6.446 -10.740 1.00 0.00 C ATOM 766 O PHE A 54 15.707 5.323 -10.636 1.00 0.00 O ATOM 767 CB PHE A 54 14.755 7.998 -8.832 1.00 0.00 C ATOM 768 CG PHE A 54 16.074 7.601 -8.232 1.00 0.00 C ATOM 769 CD1 PHE A 54 16.128 6.709 -7.174 1.00 0.00 C ATOM 770 CD2 PHE A 54 17.259 8.119 -8.728 1.00 0.00 C ATOM 771 CE1 PHE A 54 17.340 6.342 -6.620 1.00 0.00 C ATOM 772 CE2 PHE A 54 18.475 7.755 -8.179 1.00 0.00 C ATOM 773 CZ PHE A 54 18.515 6.865 -7.124 1.00 0.00 C ATOM 0 H PHE A 54 14.140 5.639 -8.101 1.00 0.00 H new ATOM 0 HA PHE A 54 13.330 7.369 -10.313 1.00 0.00 H new ATOM 0 HB2 PHE A 54 14.885 8.921 -9.397 1.00 0.00 H new ATOM 0 HB3 PHE A 54 14.050 8.212 -8.029 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.213 6.295 -6.777 1.00 0.00 H new ATOM 0 HD2 PHE A 54 17.233 8.815 -9.553 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.368 5.647 -5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 54 19.392 8.166 -8.575 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.463 6.578 -6.694 1.00 0.00 H new ATOM 783 N LYS A 55 15.551 7.299 -11.701 1.00 0.00 N ATOM 784 CA LYS A 55 16.548 6.959 -12.709 1.00 0.00 C ATOM 785 C LYS A 55 17.768 6.303 -12.069 1.00 0.00 C ATOM 786 O LYS A 55 18.619 6.981 -11.494 1.00 0.00 O ATOM 787 CB LYS A 55 16.974 8.212 -13.477 1.00 0.00 C ATOM 788 CG LYS A 55 15.997 8.621 -14.565 1.00 0.00 C ATOM 789 CD LYS A 55 15.025 9.681 -14.074 1.00 0.00 C ATOM 790 CE LYS A 55 15.662 11.062 -14.072 1.00 0.00 C ATOM 791 NZ LYS A 55 14.671 12.129 -13.761 1.00 0.00 N ATOM 0 H LYS A 55 15.150 8.231 -11.803 1.00 0.00 H new ATOM 0 HA LYS A 55 16.098 6.249 -13.404 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.088 9.037 -12.774 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.952 8.038 -13.926 1.00 0.00 H new ATOM 0 HG2 LYS A 55 16.548 9.002 -15.425 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.442 7.746 -14.904 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.140 9.688 -14.711 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.691 9.432 -13.067 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.468 11.089 -13.338 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.111 11.256 -15.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.144 13.055 -13.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.915 12.120 -14.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.261 11.958 -12.821 1.00 0.00 H new ATOM 805 N SER A 56 17.846 4.980 -12.175 1.00 0.00 N ATOM 806 CA SER A 56 18.960 4.233 -11.604 1.00 0.00 C ATOM 807 C SER A 56 18.979 2.800 -12.130 1.00 0.00 C ATOM 808 O SER A 56 18.074 2.380 -12.850 1.00 0.00 O ATOM 809 CB SER A 56 18.869 4.226 -10.077 1.00 0.00 C ATOM 810 OG SER A 56 19.401 5.420 -9.529 1.00 0.00 O ATOM 0 H SER A 56 17.151 4.404 -12.651 1.00 0.00 H new ATOM 0 HA SER A 56 19.886 4.725 -11.903 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.829 4.114 -9.772 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.411 3.367 -9.681 1.00 0.00 H new ATOM 0 HG SER A 56 18.714 5.868 -8.992 1.00 0.00 H new ATOM 816 N ALA A 57 20.018 2.056 -11.764 1.00 0.00 N ATOM 817 CA ALA A 57 20.155 0.671 -12.197 1.00 0.00 C ATOM 818 C ALA A 57 19.543 -0.285 -11.178 1.00 0.00 C ATOM 819 O ALA A 57 20.229 -0.776 -10.283 1.00 0.00 O ATOM 820 CB ALA A 57 21.620 0.333 -12.427 1.00 0.00 C ATOM 0 H ALA A 57 20.777 2.389 -11.169 1.00 0.00 H new ATOM 0 HA ALA A 57 19.615 0.554 -13.136 1.00 0.00 H new ATOM 0 HB1 ALA A 57 21.708 -0.704 -12.750 1.00 0.00 H new ATOM 0 HB2 ALA A 57 22.028 0.988 -13.196 1.00 0.00 H new ATOM 0 HB3 ALA A 57 22.176 0.472 -11.500 1.00 0.00 H new ATOM 826 N GLY A 58 18.247 -0.545 -11.322 1.00 0.00 N ATOM 827 CA GLY A 58 17.564 -1.441 -10.406 1.00 0.00 C ATOM 828 C GLY A 58 18.042 -2.874 -10.533 1.00 0.00 C ATOM 829 O GLY A 58 19.245 -3.132 -10.578 1.00 0.00 O ATOM 0 H GLY A 58 17.658 -0.152 -12.056 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.720 -1.098 -9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.491 -1.401 -10.595 1.00 0.00 H new ATOM 833 N SER A 59 17.098 -3.808 -10.589 1.00 0.00 N ATOM 834 CA SER A 59 17.430 -5.223 -10.705 1.00 0.00 C ATOM 835 C SER A 59 17.363 -5.679 -12.160 1.00 0.00 C ATOM 836 O SER A 59 16.298 -5.672 -12.776 1.00 0.00 O ATOM 837 CB SER A 59 16.479 -6.063 -9.852 1.00 0.00 C ATOM 838 OG SER A 59 16.861 -6.039 -8.487 1.00 0.00 O ATOM 0 H SER A 59 16.098 -3.610 -10.556 1.00 0.00 H new ATOM 0 HA SER A 59 18.449 -5.362 -10.345 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.462 -5.684 -9.955 1.00 0.00 H new ATOM 0 HB3 SER A 59 16.474 -7.091 -10.213 1.00 0.00 H new ATOM 0 HG SER A 59 16.236 -6.582 -7.963 1.00 0.00 H new ATOM 844 N GLY A 60 18.510 -6.075 -12.703 1.00 0.00 N ATOM 845 CA GLY A 60 18.562 -6.528 -14.081 1.00 0.00 C ATOM 846 C GLY A 60 17.895 -7.876 -14.272 1.00 0.00 C ATOM 847 O GLY A 60 16.891 -8.002 -14.973 1.00 0.00 O ATOM 0 H GLY A 60 19.405 -6.090 -12.213 1.00 0.00 H new ATOM 0 HA2 GLY A 60 18.076 -5.792 -14.721 1.00 0.00 H new ATOM 0 HA3 GLY A 60 19.602 -6.592 -14.401 1.00 0.00 H new ATOM 851 N PRO A 61 18.461 -8.915 -13.640 1.00 0.00 N ATOM 852 CA PRO A 61 17.932 -10.280 -13.730 1.00 0.00 C ATOM 853 C PRO A 61 16.601 -10.435 -13.003 1.00 0.00 C ATOM 854 O PRO A 61 16.465 -10.037 -11.846 1.00 0.00 O ATOM 855 CB PRO A 61 19.014 -11.125 -13.053 1.00 0.00 C ATOM 856 CG PRO A 61 19.700 -10.186 -12.122 1.00 0.00 C ATOM 857 CD PRO A 61 19.659 -8.839 -12.788 1.00 0.00 C ATOM 0 HA PRO A 61 17.728 -10.571 -14.760 1.00 0.00 H new ATOM 0 HB2 PRO A 61 18.580 -11.968 -12.516 1.00 0.00 H new ATOM 0 HB3 PRO A 61 19.710 -11.537 -13.784 1.00 0.00 H new ATOM 0 HG2 PRO A 61 19.198 -10.159 -11.155 1.00 0.00 H new ATOM 0 HG3 PRO A 61 20.728 -10.500 -11.939 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.583 -8.033 -12.059 1.00 0.00 H new ATOM 0 HD3 PRO A 61 20.558 -8.654 -13.375 1.00 0.00 H new ATOM 865 N SER A 62 15.622 -11.017 -13.687 1.00 0.00 N ATOM 866 CA SER A 62 14.300 -11.222 -13.106 1.00 0.00 C ATOM 867 C SER A 62 13.580 -12.380 -13.791 1.00 0.00 C ATOM 868 O SER A 62 13.842 -12.689 -14.953 1.00 0.00 O ATOM 869 CB SER A 62 13.465 -9.946 -13.224 1.00 0.00 C ATOM 870 OG SER A 62 12.310 -10.015 -12.405 1.00 0.00 O ATOM 0 H SER A 62 15.719 -11.355 -14.644 1.00 0.00 H new ATOM 0 HA SER A 62 14.427 -11.468 -12.052 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.068 -9.085 -12.936 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.170 -9.795 -14.262 1.00 0.00 H new ATOM 0 HG SER A 62 11.794 -9.187 -12.497 1.00 0.00 H new ATOM 876 N SER A 63 12.669 -13.016 -13.060 1.00 0.00 N ATOM 877 CA SER A 63 11.913 -14.143 -13.594 1.00 0.00 C ATOM 878 C SER A 63 10.572 -13.679 -14.157 1.00 0.00 C ATOM 879 O SER A 63 10.197 -12.516 -14.018 1.00 0.00 O ATOM 880 CB SER A 63 11.686 -15.194 -12.506 1.00 0.00 C ATOM 881 OG SER A 63 12.917 -15.649 -11.971 1.00 0.00 O ATOM 0 H SER A 63 12.437 -12.770 -12.098 1.00 0.00 H new ATOM 0 HA SER A 63 12.493 -14.588 -14.403 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.074 -14.771 -11.709 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.132 -16.037 -12.920 1.00 0.00 H new ATOM 0 HG SER A 63 12.744 -16.319 -11.277 1.00 0.00 H new ATOM 887 N GLY A 64 9.855 -14.600 -14.794 1.00 0.00 N ATOM 888 CA GLY A 64 8.564 -14.267 -15.368 1.00 0.00 C ATOM 889 C GLY A 64 7.463 -15.198 -14.899 1.00 0.00 C ATOM 890 O GLY A 64 7.464 -15.585 -13.731 1.00 0.00 O ATOM 0 H GLY A 64 10.145 -15.570 -14.923 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.306 -13.242 -15.103 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.632 -14.308 -16.455 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 -4.905 -3.607 3.187 1.00 0.00 ZN HETATM 896 ZN ZN A 401 2.336 2.516 -4.528 1.00 0.00 ZN