USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 604 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 MET CE :methyl -157:sc= -1.94 (180deg=-3.03!) USER MOD Set 1.2: A 64 THR OG1 : rot 70:sc= 1.07 USER MOD Set 2.1: A 47 MET CE :methyl -141:sc= -2.72! (180deg=-3.37!) USER MOD Set 2.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 ASN : amide:sc= -0.519 K(o=-5.7,f=-10!) USER MOD Set 3.2: A 17 MET CE :methyl 153:sc= -5.22! (180deg=-6.41!) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0892 (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 -22:sc= 0.702 USER MOD Single : A 6 SER OG : rot -78:sc= 0.0334 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0415 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -1.75 F(o=-3!,f=-1.8) USER MOD Single : A 51 GLN : amide:sc= -0.0938 X(o=-0.094,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.367 K(o=-0.37,f=-1.5) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0125 X(o=-0.012,f=-0.27) USER MOD Single : A 72 TYR OH : rot -9:sc= 0.645 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.712 K(o=-0.71,f=-4.3!) USER MOD Single : A 81 THR OG1 : rot 38:sc= 0.984 USER MOD Single : A 84 SER OG : rot 31:sc= 1.08 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.606 1.474 15.528 1.00 0.00 N ATOM 2 CA GLY A 1 -27.334 2.258 14.337 1.00 0.00 C ATOM 3 C GLY A 1 -25.851 2.451 14.096 1.00 0.00 C ATOM 4 O GLY A 1 -25.025 2.065 14.923 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.235 0.682 15.286 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.713 1.103 15.911 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.066 2.075 16.242 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.778 1.765 13.472 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.814 3.232 14.430 1.00 0.00 H new ATOM 8 N SER A 2 -25.510 3.049 12.958 1.00 0.00 N ATOM 9 CA SER A 2 -24.115 3.288 12.608 1.00 0.00 C ATOM 10 C SER A 2 -24.010 4.151 11.354 1.00 0.00 C ATOM 11 O SER A 2 -24.850 4.069 10.459 1.00 0.00 O ATOM 12 CB SER A 2 -23.389 1.959 12.387 1.00 0.00 C ATOM 13 OG SER A 2 -21.996 2.097 12.613 1.00 0.00 O ATOM 0 H SER A 2 -26.181 3.377 12.263 1.00 0.00 H new ATOM 0 HA SER A 2 -23.644 3.819 13.435 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.796 1.202 13.057 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.563 1.610 11.369 1.00 0.00 H new ATOM 0 HG SER A 2 -21.554 1.235 12.467 1.00 0.00 H new ATOM 19 N SER A 3 -22.973 4.981 11.301 1.00 0.00 N ATOM 20 CA SER A 3 -22.758 5.863 10.160 1.00 0.00 C ATOM 21 C SER A 3 -22.506 5.058 8.889 1.00 0.00 C ATOM 22 O SER A 3 -23.047 5.365 7.828 1.00 0.00 O ATOM 23 CB SER A 3 -21.578 6.799 10.426 1.00 0.00 C ATOM 24 OG SER A 3 -20.426 6.069 10.812 1.00 0.00 O ATOM 0 H SER A 3 -22.269 5.061 12.035 1.00 0.00 H new ATOM 0 HA SER A 3 -23.660 6.458 10.019 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.361 7.380 9.530 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.842 7.509 11.210 1.00 0.00 H new ATOM 0 HG SER A 3 -19.685 6.689 10.975 1.00 0.00 H new ATOM 30 N GLY A 4 -21.678 4.024 9.006 1.00 0.00 N ATOM 31 CA GLY A 4 -21.367 3.189 7.860 1.00 0.00 C ATOM 32 C GLY A 4 -20.834 3.990 6.688 1.00 0.00 C ATOM 33 O GLY A 4 -19.645 4.307 6.634 1.00 0.00 O ATOM 0 H GLY A 4 -21.217 3.750 9.874 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.630 2.440 8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.264 2.652 7.551 1.00 0.00 H new ATOM 37 N SER A 5 -21.713 4.314 5.745 1.00 0.00 N ATOM 38 CA SER A 5 -21.324 5.078 4.567 1.00 0.00 C ATOM 39 C SER A 5 -19.997 4.572 4.007 1.00 0.00 C ATOM 40 O SER A 5 -19.141 5.359 3.602 1.00 0.00 O ATOM 41 CB SER A 5 -21.212 6.565 4.908 1.00 0.00 C ATOM 42 OG SER A 5 -20.034 6.831 5.650 1.00 0.00 O ATOM 0 H SER A 5 -22.700 4.059 5.775 1.00 0.00 H new ATOM 0 HA SER A 5 -22.095 4.945 3.808 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.208 7.152 3.990 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.085 6.877 5.482 1.00 0.00 H new ATOM 0 HG SER A 5 -19.725 6.006 6.080 1.00 0.00 H new ATOM 48 N SER A 6 -19.834 3.253 3.988 1.00 0.00 N ATOM 49 CA SER A 6 -18.611 2.641 3.482 1.00 0.00 C ATOM 50 C SER A 6 -18.923 1.371 2.696 1.00 0.00 C ATOM 51 O SER A 6 -19.669 0.510 3.159 1.00 0.00 O ATOM 52 CB SER A 6 -17.661 2.319 4.637 1.00 0.00 C ATOM 53 OG SER A 6 -18.322 1.579 5.650 1.00 0.00 O ATOM 0 H SER A 6 -20.534 2.588 4.317 1.00 0.00 H new ATOM 0 HA SER A 6 -18.129 3.353 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.809 1.750 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.267 3.245 5.057 1.00 0.00 H new ATOM 0 HG SER A 6 -18.871 2.184 6.191 1.00 0.00 H new ATOM 59 N GLY A 7 -18.346 1.264 1.503 1.00 0.00 N ATOM 60 CA GLY A 7 -18.573 0.097 0.671 1.00 0.00 C ATOM 61 C GLY A 7 -19.990 0.036 0.134 1.00 0.00 C ATOM 62 O GLY A 7 -20.938 0.501 0.768 1.00 0.00 O ATOM 0 H GLY A 7 -17.725 1.965 1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.871 0.107 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.368 -0.804 1.249 1.00 0.00 H new ATOM 66 N PRO A 8 -20.148 -0.547 -1.063 1.00 0.00 N ATOM 67 CA PRO A 8 -21.455 -0.679 -1.713 1.00 0.00 C ATOM 68 C PRO A 8 -22.360 -1.678 -0.998 1.00 0.00 C ATOM 69 O PRO A 8 -23.537 -1.811 -1.330 1.00 0.00 O ATOM 70 CB PRO A 8 -21.106 -1.184 -3.115 1.00 0.00 C ATOM 71 CG PRO A 8 -19.795 -1.873 -2.954 1.00 0.00 C ATOM 72 CD PRO A 8 -19.063 -1.123 -1.876 1.00 0.00 C ATOM 0 HA PRO A 8 -22.008 0.260 -1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -21.868 -1.866 -3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -21.036 -0.361 -3.826 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -19.935 -2.918 -2.677 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -19.232 -1.864 -3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -18.428 -1.784 -1.287 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -18.418 -0.349 -2.292 1.00 0.00 H new ATOM 80 N ARG A 9 -21.801 -2.377 -0.016 1.00 0.00 N ATOM 81 CA ARG A 9 -22.556 -3.364 0.746 1.00 0.00 C ATOM 82 C ARG A 9 -22.251 -3.251 2.236 1.00 0.00 C ATOM 83 O ARG A 9 -21.108 -3.025 2.630 1.00 0.00 O ATOM 84 CB ARG A 9 -22.234 -4.776 0.254 1.00 0.00 C ATOM 85 CG ARG A 9 -23.002 -5.175 -0.995 1.00 0.00 C ATOM 86 CD ARG A 9 -22.493 -6.490 -1.566 1.00 0.00 C ATOM 87 NE ARG A 9 -23.088 -6.791 -2.865 1.00 0.00 N ATOM 88 CZ ARG A 9 -23.068 -7.996 -3.421 1.00 0.00 C ATOM 89 NH1 ARG A 9 -22.487 -9.011 -2.795 1.00 0.00 N ATOM 90 NH2 ARG A 9 -23.632 -8.191 -4.607 1.00 0.00 N ATOM 0 H ARG A 9 -20.827 -2.278 0.271 1.00 0.00 H new ATOM 0 HA ARG A 9 -23.617 -3.167 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -21.165 -4.846 0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -22.455 -5.488 1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -24.062 -5.266 -0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -22.910 -4.391 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -21.408 -6.446 -1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -22.716 -7.298 -0.869 1.00 0.00 H new ATOM 0 HE ARG A 9 -23.544 -6.033 -3.373 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -22.054 -8.867 -1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -22.474 -9.936 -3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -24.081 -7.414 -5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -23.616 -9.118 -5.033 1.00 0.00 H new ATOM 104 N GLU A 10 -23.283 -3.410 3.061 1.00 0.00 N ATOM 105 CA GLU A 10 -23.124 -3.325 4.508 1.00 0.00 C ATOM 106 C GLU A 10 -21.920 -4.140 4.971 1.00 0.00 C ATOM 107 O GLU A 10 -20.957 -3.611 5.529 1.00 0.00 O ATOM 108 CB GLU A 10 -24.389 -3.818 5.212 1.00 0.00 C ATOM 109 CG GLU A 10 -25.351 -2.701 5.586 1.00 0.00 C ATOM 110 CD GLU A 10 -26.169 -3.025 6.821 1.00 0.00 C ATOM 111 OE1 GLU A 10 -25.562 -3.273 7.885 1.00 0.00 O ATOM 112 OE2 GLU A 10 -27.414 -3.031 6.725 1.00 0.00 O ATOM 0 H GLU A 10 -24.237 -3.598 2.752 1.00 0.00 H new ATOM 0 HA GLU A 10 -22.956 -2.280 4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -24.903 -4.527 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -24.105 -4.359 6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.788 -1.784 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -26.023 -2.510 4.749 1.00 0.00 H new ATOM 119 N PRO A 11 -21.974 -5.460 4.739 1.00 0.00 N ATOM 120 CA PRO A 11 -20.897 -6.377 5.124 1.00 0.00 C ATOM 121 C PRO A 11 -19.641 -6.181 4.284 1.00 0.00 C ATOM 122 O PRO A 11 -19.715 -5.791 3.119 1.00 0.00 O ATOM 123 CB PRO A 11 -21.501 -7.760 4.868 1.00 0.00 C ATOM 124 CG PRO A 11 -22.539 -7.533 3.823 1.00 0.00 C ATOM 125 CD PRO A 11 -23.091 -6.158 4.078 1.00 0.00 C ATOM 0 HA PRO A 11 -20.577 -6.220 6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -20.744 -8.466 4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -21.938 -8.175 5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -22.108 -7.601 2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -23.325 -8.286 3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -23.382 -5.663 3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -23.976 -6.192 4.713 1.00 0.00 H new ATOM 133 N VAL A 12 -18.486 -6.454 4.884 1.00 0.00 N ATOM 134 CA VAL A 12 -17.211 -6.309 4.189 1.00 0.00 C ATOM 135 C VAL A 12 -16.562 -7.667 3.946 1.00 0.00 C ATOM 136 O VAL A 12 -16.426 -8.476 4.863 1.00 0.00 O ATOM 137 CB VAL A 12 -16.237 -5.421 4.985 1.00 0.00 C ATOM 138 CG1 VAL A 12 -16.820 -4.029 5.179 1.00 0.00 C ATOM 139 CG2 VAL A 12 -15.907 -6.061 6.325 1.00 0.00 C ATOM 0 H VAL A 12 -18.407 -6.776 5.848 1.00 0.00 H new ATOM 0 HA VAL A 12 -17.423 -5.834 3.231 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.312 -5.325 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.118 -3.416 5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -17.001 -3.571 4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -17.760 -4.101 5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.217 -5.420 6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.823 -6.188 6.903 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.444 -7.034 6.159 1.00 0.00 H new ATOM 149 N VAL A 13 -16.158 -7.909 2.703 1.00 0.00 N ATOM 150 CA VAL A 13 -15.520 -9.168 2.337 1.00 0.00 C ATOM 151 C VAL A 13 -14.266 -8.926 1.503 1.00 0.00 C ATOM 152 O VAL A 13 -14.077 -9.542 0.455 1.00 0.00 O ATOM 153 CB VAL A 13 -16.480 -10.076 1.547 1.00 0.00 C ATOM 154 CG1 VAL A 13 -17.690 -10.438 2.394 1.00 0.00 C ATOM 155 CG2 VAL A 13 -16.909 -9.401 0.253 1.00 0.00 C ATOM 0 H VAL A 13 -16.261 -7.249 1.932 1.00 0.00 H new ATOM 0 HA VAL A 13 -15.245 -9.665 3.267 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.954 -10.997 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -18.357 -11.080 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -17.362 -10.965 3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -18.219 -9.529 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -17.587 -10.057 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.417 -8.464 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.031 -9.197 -0.360 1.00 0.00 H new ATOM 165 N ASN A 14 -13.410 -8.026 1.979 1.00 0.00 N ATOM 166 CA ASN A 14 -12.173 -7.704 1.278 1.00 0.00 C ATOM 167 C ASN A 14 -10.991 -8.448 1.890 1.00 0.00 C ATOM 168 O ASN A 14 -11.155 -9.236 2.821 1.00 0.00 O ATOM 169 CB ASN A 14 -11.918 -6.196 1.320 1.00 0.00 C ATOM 170 CG ASN A 14 -11.141 -5.707 0.112 1.00 0.00 C ATOM 171 OD1 ASN A 14 -9.927 -5.516 0.177 1.00 0.00 O ATOM 172 ND2 ASN A 14 -11.841 -5.503 -0.999 1.00 0.00 N ATOM 0 H ASN A 14 -13.551 -7.508 2.846 1.00 0.00 H new ATOM 0 HA ASN A 14 -12.279 -8.020 0.240 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.871 -5.670 1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.367 -5.949 2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.373 -5.175 -1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.846 -5.675 -1.007 1.00 0.00 H new ATOM 179 N ASP A 15 -9.799 -8.191 1.360 1.00 0.00 N ATOM 180 CA ASP A 15 -8.588 -8.836 1.856 1.00 0.00 C ATOM 181 C ASP A 15 -7.556 -7.797 2.283 1.00 0.00 C ATOM 182 O ASP A 15 -6.921 -7.932 3.328 1.00 0.00 O ATOM 183 CB ASP A 15 -7.995 -9.750 0.782 1.00 0.00 C ATOM 184 CG ASP A 15 -8.756 -11.055 0.650 1.00 0.00 C ATOM 185 OD1 ASP A 15 -8.921 -11.753 1.672 1.00 0.00 O ATOM 186 OD2 ASP A 15 -9.189 -11.377 -0.477 1.00 0.00 O ATOM 0 H ASP A 15 -9.646 -7.542 0.588 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.855 -9.436 2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.000 -9.231 -0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.954 -9.963 1.024 1.00 0.00 H new ATOM 191 N GLU A 16 -7.393 -6.760 1.465 1.00 0.00 N ATOM 192 CA GLU A 16 -6.437 -5.700 1.759 1.00 0.00 C ATOM 193 C GLU A 16 -7.044 -4.663 2.698 1.00 0.00 C ATOM 194 O GLU A 16 -7.539 -3.625 2.258 1.00 0.00 O ATOM 195 CB GLU A 16 -5.977 -5.025 0.465 1.00 0.00 C ATOM 196 CG GLU A 16 -5.267 -5.967 -0.494 1.00 0.00 C ATOM 197 CD GLU A 16 -6.013 -7.272 -0.688 1.00 0.00 C ATOM 198 OE1 GLU A 16 -6.980 -7.293 -1.477 1.00 0.00 O ATOM 199 OE2 GLU A 16 -5.629 -8.275 -0.049 1.00 0.00 O ATOM 0 H GLU A 16 -7.910 -6.633 0.595 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.576 -6.150 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.843 -4.593 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.308 -4.201 0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.147 -5.475 -1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.266 -6.177 -0.117 1.00 0.00 H new ATOM 206 N MET A 17 -7.005 -4.951 3.995 1.00 0.00 N ATOM 207 CA MET A 17 -7.551 -4.044 4.997 1.00 0.00 C ATOM 208 C MET A 17 -6.452 -3.528 5.920 1.00 0.00 C ATOM 209 O MET A 17 -5.820 -4.301 6.643 1.00 0.00 O ATOM 210 CB MET A 17 -8.634 -4.747 5.817 1.00 0.00 C ATOM 211 CG MET A 17 -9.650 -5.494 4.968 1.00 0.00 C ATOM 212 SD MET A 17 -11.034 -4.454 4.464 1.00 0.00 S ATOM 213 CE MET A 17 -10.435 -3.831 2.895 1.00 0.00 C ATOM 0 H MET A 17 -6.601 -5.806 4.377 1.00 0.00 H new ATOM 0 HA MET A 17 -7.994 -3.194 4.478 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.160 -5.449 6.504 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.155 -4.008 6.426 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.156 -5.889 4.081 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.028 -6.348 5.529 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.282 -3.592 2.251 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.841 -2.932 3.063 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.817 -4.589 2.414 1.00 0.00 H new ATOM 223 N CYS A 18 -6.227 -2.220 5.893 1.00 0.00 N ATOM 224 CA CYS A 18 -5.204 -1.600 6.727 1.00 0.00 C ATOM 225 C CYS A 18 -5.301 -2.098 8.166 1.00 0.00 C ATOM 226 O CYS A 18 -6.396 -2.309 8.688 1.00 0.00 O ATOM 227 CB CYS A 18 -5.341 -0.077 6.692 1.00 0.00 C ATOM 228 SG CYS A 18 -3.988 0.810 7.530 1.00 0.00 S ATOM 0 H CYS A 18 -6.740 -1.567 5.301 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.228 -1.879 6.329 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.387 0.249 5.653 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.287 0.203 7.156 1.00 0.00 H new ATOM 233 N ASP A 19 -4.149 -2.283 8.801 1.00 0.00 N ATOM 234 CA ASP A 19 -4.104 -2.755 10.180 1.00 0.00 C ATOM 235 C ASP A 19 -4.541 -1.657 11.145 1.00 0.00 C ATOM 236 O ASP A 19 -4.626 -1.876 12.354 1.00 0.00 O ATOM 237 CB ASP A 19 -2.692 -3.229 10.533 1.00 0.00 C ATOM 238 CG ASP A 19 -2.591 -3.734 11.959 1.00 0.00 C ATOM 239 OD1 ASP A 19 -2.346 -2.908 12.865 1.00 0.00 O ATOM 240 OD2 ASP A 19 -2.756 -4.953 12.170 1.00 0.00 O ATOM 0 H ASP A 19 -3.234 -2.113 8.383 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.795 -3.593 10.274 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.396 -4.023 9.847 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.990 -2.408 10.391 1.00 0.00 H new ATOM 245 N VAL A 20 -4.816 -0.475 10.602 1.00 0.00 N ATOM 246 CA VAL A 20 -5.244 0.657 11.415 1.00 0.00 C ATOM 247 C VAL A 20 -6.584 1.202 10.935 1.00 0.00 C ATOM 248 O VAL A 20 -7.375 1.721 11.724 1.00 0.00 O ATOM 249 CB VAL A 20 -4.203 1.792 11.390 1.00 0.00 C ATOM 250 CG1 VAL A 20 -4.726 3.013 12.131 1.00 0.00 C ATOM 251 CG2 VAL A 20 -2.885 1.319 11.986 1.00 0.00 C ATOM 0 H VAL A 20 -4.750 -0.277 9.604 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.348 0.291 12.437 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.025 2.076 10.353 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.977 3.804 12.103 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.642 3.363 11.655 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.935 2.748 13.167 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.161 2.133 11.960 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.044 1.007 13.018 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.505 0.477 11.407 1.00 0.00 H new ATOM 261 N CYS A 21 -6.836 1.079 9.636 1.00 0.00 N ATOM 262 CA CYS A 21 -8.082 1.558 9.049 1.00 0.00 C ATOM 263 C CYS A 21 -8.949 0.393 8.587 1.00 0.00 C ATOM 264 O CYS A 21 -10.164 0.529 8.443 1.00 0.00 O ATOM 265 CB CYS A 21 -7.789 2.489 7.870 1.00 0.00 C ATOM 266 SG CYS A 21 -6.565 3.789 8.235 1.00 0.00 S ATOM 0 H CYS A 21 -6.193 0.651 8.969 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.626 2.111 9.815 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.431 1.893 7.031 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.719 2.960 7.553 1.00 0.00 H new ATOM 271 N GLU A 22 -8.317 -0.755 8.356 1.00 0.00 N ATOM 272 CA GLU A 22 -9.032 -1.944 7.909 1.00 0.00 C ATOM 273 C GLU A 22 -9.887 -1.637 6.683 1.00 0.00 C ATOM 274 O GLU A 22 -11.036 -2.068 6.591 1.00 0.00 O ATOM 275 CB GLU A 22 -9.913 -2.490 9.036 1.00 0.00 C ATOM 276 CG GLU A 22 -9.130 -3.176 10.142 1.00 0.00 C ATOM 277 CD GLU A 22 -10.020 -3.666 11.268 1.00 0.00 C ATOM 278 OE1 GLU A 22 -10.892 -4.521 11.005 1.00 0.00 O ATOM 279 OE2 GLU A 22 -9.844 -3.197 12.412 1.00 0.00 O ATOM 0 H GLU A 22 -7.312 -0.886 8.471 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.295 -2.699 7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.489 -1.670 9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.628 -3.197 8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.581 -4.020 9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.391 -2.482 10.543 1.00 0.00 H new ATOM 286 N VAL A 23 -9.318 -0.888 5.745 1.00 0.00 N ATOM 287 CA VAL A 23 -10.026 -0.523 4.524 1.00 0.00 C ATOM 288 C VAL A 23 -9.098 -0.569 3.315 1.00 0.00 C ATOM 289 O VAL A 23 -7.876 -0.615 3.459 1.00 0.00 O ATOM 290 CB VAL A 23 -10.642 0.885 4.632 1.00 0.00 C ATOM 291 CG1 VAL A 23 -11.706 0.920 5.718 1.00 0.00 C ATOM 292 CG2 VAL A 23 -9.560 1.920 4.899 1.00 0.00 C ATOM 0 H VAL A 23 -8.368 -0.522 5.807 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.825 -1.252 4.392 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.119 1.129 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -12.130 1.922 5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.494 0.207 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.257 0.656 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.013 2.909 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.052 1.683 5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.838 1.911 4.082 1.00 0.00 H new ATOM 302 N TRP A 24 -9.686 -0.555 2.125 1.00 0.00 N ATOM 303 CA TRP A 24 -8.911 -0.593 0.889 1.00 0.00 C ATOM 304 C TRP A 24 -9.355 0.508 -0.067 1.00 0.00 C ATOM 305 O TRP A 24 -10.338 1.205 0.186 1.00 0.00 O ATOM 306 CB TRP A 24 -9.056 -1.959 0.216 1.00 0.00 C ATOM 307 CG TRP A 24 -10.270 -2.066 -0.657 1.00 0.00 C ATOM 308 CD1 TRP A 24 -11.555 -2.282 -0.248 1.00 0.00 C ATOM 309 CD2 TRP A 24 -10.311 -1.964 -2.083 1.00 0.00 C ATOM 310 NE1 TRP A 24 -12.393 -2.320 -1.336 1.00 0.00 N ATOM 311 CE2 TRP A 24 -11.655 -2.126 -2.474 1.00 0.00 C ATOM 312 CE3 TRP A 24 -9.345 -1.748 -3.070 1.00 0.00 C ATOM 313 CZ2 TRP A 24 -12.053 -2.082 -3.807 1.00 0.00 C ATOM 314 CZ3 TRP A 24 -9.742 -1.705 -4.393 1.00 0.00 C ATOM 315 CH2 TRP A 24 -11.087 -1.870 -4.752 1.00 0.00 C ATOM 0 H TRP A 24 -10.696 -0.518 1.989 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.863 -0.428 1.141 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -8.168 -2.157 -0.384 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.100 -2.731 0.984 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.866 -2.405 0.779 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.402 -2.469 -1.302 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.307 -1.617 -2.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -13.088 -2.211 -4.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -9.003 -1.541 -5.164 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.366 -1.829 -5.795 1.00 0.00 H new ATOM 326 N THR A 25 -8.624 0.660 -1.167 1.00 0.00 N ATOM 327 CA THR A 25 -8.941 1.678 -2.161 1.00 0.00 C ATOM 328 C THR A 25 -8.701 1.161 -3.574 1.00 0.00 C ATOM 329 O THR A 25 -7.809 0.345 -3.803 1.00 0.00 O ATOM 330 CB THR A 25 -8.108 2.955 -1.944 1.00 0.00 C ATOM 331 OG1 THR A 25 -6.745 2.610 -1.674 1.00 0.00 O ATOM 332 CG2 THR A 25 -8.665 3.777 -0.792 1.00 0.00 C ATOM 0 H THR A 25 -7.808 0.091 -1.392 1.00 0.00 H new ATOM 0 HA THR A 25 -9.997 1.918 -2.040 1.00 0.00 H new ATOM 0 HB THR A 25 -8.159 3.553 -2.854 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.221 3.427 -1.539 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.060 4.674 -0.659 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.693 4.063 -1.013 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.642 3.184 0.122 1.00 0.00 H new ATOM 340 N ALA A 26 -9.500 1.642 -4.520 1.00 0.00 N ATOM 341 CA ALA A 26 -9.372 1.230 -5.912 1.00 0.00 C ATOM 342 C ALA A 26 -7.945 1.428 -6.414 1.00 0.00 C ATOM 343 O ALA A 26 -7.407 0.584 -7.128 1.00 0.00 O ATOM 344 CB ALA A 26 -10.351 2.002 -6.784 1.00 0.00 C ATOM 0 H ALA A 26 -10.244 2.318 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.608 0.168 -5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.244 1.684 -7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.369 1.807 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.142 3.069 -6.709 1.00 0.00 H new ATOM 350 N GLU A 27 -7.340 2.549 -6.034 1.00 0.00 N ATOM 351 CA GLU A 27 -5.976 2.858 -6.447 1.00 0.00 C ATOM 352 C GLU A 27 -4.969 1.997 -5.688 1.00 0.00 C ATOM 353 O GLU A 27 -5.335 1.253 -4.778 1.00 0.00 O ATOM 354 CB GLU A 27 -5.672 4.339 -6.219 1.00 0.00 C ATOM 355 CG GLU A 27 -5.605 4.727 -4.750 1.00 0.00 C ATOM 356 CD GLU A 27 -6.020 6.165 -4.506 1.00 0.00 C ATOM 357 OE1 GLU A 27 -7.057 6.585 -5.062 1.00 0.00 O ATOM 358 OE2 GLU A 27 -5.308 6.869 -3.761 1.00 0.00 O ATOM 0 H GLU A 27 -7.772 3.258 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.888 2.637 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.722 4.584 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.438 4.939 -6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.250 4.064 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.588 4.579 -4.385 1.00 0.00 H new ATOM 365 N SER A 28 -3.701 2.105 -6.069 1.00 0.00 N ATOM 366 CA SER A 28 -2.642 1.335 -5.428 1.00 0.00 C ATOM 367 C SER A 28 -2.576 1.640 -3.934 1.00 0.00 C ATOM 368 O SER A 28 -2.493 2.800 -3.528 1.00 0.00 O ATOM 369 CB SER A 28 -1.293 1.639 -6.082 1.00 0.00 C ATOM 370 OG SER A 28 -1.186 1.009 -7.346 1.00 0.00 O ATOM 0 H SER A 28 -3.382 2.718 -6.819 1.00 0.00 H new ATOM 0 HA SER A 28 -2.869 0.277 -5.556 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.176 2.716 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.486 1.299 -5.433 1.00 0.00 H new ATOM 0 HG SER A 28 -0.316 1.220 -7.744 1.00 0.00 H new ATOM 376 N LEU A 29 -2.616 0.590 -3.121 1.00 0.00 N ATOM 377 CA LEU A 29 -2.561 0.744 -1.671 1.00 0.00 C ATOM 378 C LEU A 29 -1.135 0.570 -1.158 1.00 0.00 C ATOM 379 O LEU A 29 -0.370 -0.242 -1.682 1.00 0.00 O ATOM 380 CB LEU A 29 -3.485 -0.272 -0.995 1.00 0.00 C ATOM 381 CG LEU A 29 -4.095 0.161 0.338 1.00 0.00 C ATOM 382 CD1 LEU A 29 -5.302 -0.701 0.677 1.00 0.00 C ATOM 383 CD2 LEU A 29 -3.057 0.089 1.448 1.00 0.00 C ATOM 0 H LEU A 29 -2.686 -0.376 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.896 1.752 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.296 -0.510 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.924 -1.192 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.427 1.195 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.723 -0.379 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.054 -0.599 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.995 -1.744 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.509 0.401 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.694 -0.935 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.223 0.749 1.210 1.00 0.00 H new ATOM 395 N PHE A 30 -0.784 1.336 -0.131 1.00 0.00 N ATOM 396 CA PHE A 30 0.551 1.266 0.454 1.00 0.00 C ATOM 397 C PHE A 30 0.596 0.243 1.585 1.00 0.00 C ATOM 398 O PHE A 30 -0.408 -0.043 2.237 1.00 0.00 O ATOM 399 CB PHE A 30 0.974 2.640 0.977 1.00 0.00 C ATOM 400 CG PHE A 30 1.310 3.619 -0.113 1.00 0.00 C ATOM 401 CD1 PHE A 30 0.377 3.938 -1.085 1.00 0.00 C ATOM 402 CD2 PHE A 30 2.557 4.218 -0.163 1.00 0.00 C ATOM 403 CE1 PHE A 30 0.683 4.837 -2.090 1.00 0.00 C ATOM 404 CE2 PHE A 30 2.869 5.119 -1.164 1.00 0.00 C ATOM 405 CZ PHE A 30 1.930 5.430 -2.128 1.00 0.00 C ATOM 0 H PHE A 30 -1.405 2.012 0.314 1.00 0.00 H new ATOM 0 HA PHE A 30 1.246 0.951 -0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.170 3.051 1.588 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.840 2.521 1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.601 3.480 -1.058 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.295 3.979 0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.052 5.075 -2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.846 5.579 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.170 6.135 -2.910 1.00 0.00 H new ATOM 415 N PRO A 31 1.788 -0.323 1.824 1.00 0.00 N ATOM 416 CA PRO A 31 2.990 0.009 1.052 1.00 0.00 C ATOM 417 C PRO A 31 2.922 -0.508 -0.380 1.00 0.00 C ATOM 418 O PRO A 31 3.217 0.219 -1.328 1.00 0.00 O ATOM 419 CB PRO A 31 4.111 -0.694 1.822 1.00 0.00 C ATOM 420 CG PRO A 31 3.437 -1.821 2.528 1.00 0.00 C ATOM 421 CD PRO A 31 2.055 -1.331 2.863 1.00 0.00 C ATOM 0 HA PRO A 31 3.129 1.086 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.887 -1.057 1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.592 -0.016 2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.394 -2.708 1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.982 -2.099 3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.325 -2.140 2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.014 -0.898 3.863 1.00 0.00 H new ATOM 429 N CYS A 32 2.530 -1.768 -0.531 1.00 0.00 N ATOM 430 CA CYS A 32 2.423 -2.384 -1.848 1.00 0.00 C ATOM 431 C CYS A 32 1.011 -2.911 -2.088 1.00 0.00 C ATOM 432 O CYS A 32 0.125 -2.746 -1.250 1.00 0.00 O ATOM 433 CB CYS A 32 3.434 -3.523 -1.986 1.00 0.00 C ATOM 434 SG CYS A 32 3.821 -4.368 -0.420 1.00 0.00 S ATOM 0 H CYS A 32 2.281 -2.383 0.243 1.00 0.00 H new ATOM 0 HA CYS A 32 2.641 -1.622 -2.596 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.046 -4.255 -2.695 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.356 -3.126 -2.410 1.00 0.00 H new ATOM 439 N ARG A 33 0.810 -3.548 -3.238 1.00 0.00 N ATOM 440 CA ARG A 33 -0.493 -4.099 -3.589 1.00 0.00 C ATOM 441 C ARG A 33 -0.424 -5.618 -3.719 1.00 0.00 C ATOM 442 O ARG A 33 -1.430 -6.311 -3.573 1.00 0.00 O ATOM 443 CB ARG A 33 -0.993 -3.486 -4.898 1.00 0.00 C ATOM 444 CG ARG A 33 -0.391 -4.124 -6.139 1.00 0.00 C ATOM 445 CD ARG A 33 1.077 -3.757 -6.298 1.00 0.00 C ATOM 446 NE ARG A 33 1.497 -3.775 -7.696 1.00 0.00 N ATOM 447 CZ ARG A 33 1.252 -2.788 -8.550 1.00 0.00 C ATOM 448 NH1 ARG A 33 0.593 -1.709 -8.151 1.00 0.00 N ATOM 449 NH2 ARG A 33 1.668 -2.877 -9.807 1.00 0.00 N ATOM 0 H ARG A 33 1.533 -3.695 -3.942 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.192 -3.852 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.078 -3.580 -4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.765 -2.420 -4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -0.492 -5.208 -6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.945 -3.802 -7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.250 -2.765 -5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.689 -4.455 -5.727 1.00 0.00 H new ATOM 0 HE ARG A 33 2.007 -4.591 -8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.273 -1.635 -7.185 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.407 -0.953 -8.810 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.177 -3.704 -10.118 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.479 -2.118 -10.462 1.00 0.00 H new ATOM 463 N VAL A 34 0.772 -6.129 -3.997 1.00 0.00 N ATOM 464 CA VAL A 34 0.974 -7.565 -4.147 1.00 0.00 C ATOM 465 C VAL A 34 0.835 -8.282 -2.809 1.00 0.00 C ATOM 466 O VAL A 34 0.125 -9.282 -2.698 1.00 0.00 O ATOM 467 CB VAL A 34 2.358 -7.879 -4.743 1.00 0.00 C ATOM 468 CG1 VAL A 34 2.570 -9.381 -4.840 1.00 0.00 C ATOM 469 CG2 VAL A 34 2.511 -7.221 -6.107 1.00 0.00 C ATOM 0 H VAL A 34 1.615 -5.569 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 34 0.203 -7.923 -4.830 1.00 0.00 H new ATOM 0 HB VAL A 34 3.121 -7.472 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.554 -9.583 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.505 -9.823 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.803 -9.816 -5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.495 -7.453 -6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.741 -7.597 -6.781 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.406 -6.141 -6.004 1.00 0.00 H new ATOM 479 N CYS A 35 1.517 -7.765 -1.793 1.00 0.00 N ATOM 480 CA CYS A 35 1.473 -8.354 -0.460 1.00 0.00 C ATOM 481 C CYS A 35 0.083 -8.209 0.151 1.00 0.00 C ATOM 482 O CYS A 35 -0.357 -7.102 0.466 1.00 0.00 O ATOM 483 CB CYS A 35 2.512 -7.696 0.447 1.00 0.00 C ATOM 484 SG CYS A 35 4.237 -8.009 -0.049 1.00 0.00 S ATOM 0 H CYS A 35 2.108 -6.937 -1.868 1.00 0.00 H new ATOM 0 HA CYS A 35 1.703 -9.416 -0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.338 -6.620 0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.368 -8.054 1.466 1.00 0.00 H new ATOM 489 N THR A 36 -0.606 -9.334 0.318 1.00 0.00 N ATOM 490 CA THR A 36 -1.946 -9.332 0.891 1.00 0.00 C ATOM 491 C THR A 36 -2.065 -8.301 2.008 1.00 0.00 C ATOM 492 O THR A 36 -2.890 -7.390 1.939 1.00 0.00 O ATOM 493 CB THR A 36 -2.321 -10.719 1.446 1.00 0.00 C ATOM 494 OG1 THR A 36 -1.306 -11.178 2.346 1.00 0.00 O ATOM 495 CG2 THR A 36 -2.498 -11.724 0.318 1.00 0.00 C ATOM 0 H THR A 36 -0.257 -10.258 0.064 1.00 0.00 H new ATOM 0 HA THR A 36 -2.634 -9.072 0.086 1.00 0.00 H new ATOM 0 HB THR A 36 -3.266 -10.628 1.981 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.553 -12.060 2.696 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.762 -12.696 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.292 -11.387 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.567 -11.811 -0.242 1.00 0.00 H new ATOM 503 N ARG A 37 -1.236 -8.452 3.036 1.00 0.00 N ATOM 504 CA ARG A 37 -1.250 -7.533 4.168 1.00 0.00 C ATOM 505 C ARG A 37 -0.957 -6.106 3.715 1.00 0.00 C ATOM 506 O ARG A 37 0.093 -5.832 3.133 1.00 0.00 O ATOM 507 CB ARG A 37 -0.223 -7.967 5.216 1.00 0.00 C ATOM 508 CG ARG A 37 -0.349 -7.224 6.537 1.00 0.00 C ATOM 509 CD ARG A 37 0.884 -7.418 7.405 1.00 0.00 C ATOM 510 NE ARG A 37 0.776 -6.707 8.676 1.00 0.00 N ATOM 511 CZ ARG A 37 1.800 -6.518 9.501 1.00 0.00 C ATOM 512 NH1 ARG A 37 3.001 -6.984 9.191 1.00 0.00 N ATOM 513 NH2 ARG A 37 1.621 -5.860 10.640 1.00 0.00 N ATOM 0 H ARG A 37 -0.547 -9.201 3.108 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.246 -7.558 4.611 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.332 -9.036 5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.779 -7.812 4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.497 -6.161 6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.231 -7.577 7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.029 -8.481 7.596 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.765 -7.067 6.867 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.135 -6.335 8.945 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.142 -7.490 8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.785 -6.837 9.827 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.698 -5.500 10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.407 -5.715 11.274 1.00 0.00 H new ATOM 527 N VAL A 38 -1.892 -5.201 3.985 1.00 0.00 N ATOM 528 CA VAL A 38 -1.734 -3.802 3.606 1.00 0.00 C ATOM 529 C VAL A 38 -1.725 -2.897 4.832 1.00 0.00 C ATOM 530 O VAL A 38 -2.500 -3.096 5.769 1.00 0.00 O ATOM 531 CB VAL A 38 -2.857 -3.349 2.654 1.00 0.00 C ATOM 532 CG1 VAL A 38 -2.907 -4.241 1.423 1.00 0.00 C ATOM 533 CG2 VAL A 38 -4.197 -3.345 3.375 1.00 0.00 C ATOM 0 H VAL A 38 -2.767 -5.412 4.465 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.776 -3.720 3.092 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.643 -2.332 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.707 -3.905 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.954 -4.187 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.096 -5.271 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.979 -3.022 2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.420 -4.350 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.153 -2.660 4.221 1.00 0.00 H new ATOM 543 N PHE A 39 -0.846 -1.901 4.820 1.00 0.00 N ATOM 544 CA PHE A 39 -0.737 -0.965 5.933 1.00 0.00 C ATOM 545 C PHE A 39 -0.280 0.408 5.445 1.00 0.00 C ATOM 546 O PHE A 39 0.855 0.574 4.996 1.00 0.00 O ATOM 547 CB PHE A 39 0.243 -1.498 6.981 1.00 0.00 C ATOM 548 CG PHE A 39 1.346 -2.336 6.401 1.00 0.00 C ATOM 549 CD1 PHE A 39 1.105 -3.640 6.001 1.00 0.00 C ATOM 550 CD2 PHE A 39 2.623 -1.819 6.256 1.00 0.00 C ATOM 551 CE1 PHE A 39 2.118 -4.413 5.466 1.00 0.00 C ATOM 552 CE2 PHE A 39 3.639 -2.587 5.721 1.00 0.00 C ATOM 553 CZ PHE A 39 3.387 -3.886 5.327 1.00 0.00 C ATOM 0 H PHE A 39 -0.199 -1.721 4.052 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.723 -0.861 6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.681 -0.657 7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.307 -2.091 7.712 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.115 -4.057 6.108 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.827 -0.804 6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.917 -5.428 5.157 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.630 -2.172 5.611 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.181 -4.489 4.911 1.00 0.00 H new ATOM 563 N HIS A 40 -1.172 1.389 5.537 1.00 0.00 N ATOM 564 CA HIS A 40 -0.862 2.747 5.106 1.00 0.00 C ATOM 565 C HIS A 40 0.406 3.257 5.785 1.00 0.00 C ATOM 566 O HIS A 40 0.426 3.482 6.995 1.00 0.00 O ATOM 567 CB HIS A 40 -2.031 3.682 5.415 1.00 0.00 C ATOM 568 CG HIS A 40 -3.346 3.190 4.892 1.00 0.00 C ATOM 569 ND1 HIS A 40 -3.641 2.154 4.073 1.00 0.00 N flip ATOM 570 CD2 HIS A 40 -4.550 3.785 5.205 1.00 0.00 C flip ATOM 571 CE1 HIS A 40 -5.004 2.141 3.908 1.00 0.00 C flip ATOM 572 NE2 HIS A 40 -5.529 3.135 4.602 1.00 0.00 N flip ATOM 0 H HIS A 40 -2.115 1.269 5.906 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.695 2.730 4.029 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.105 3.813 6.495 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.824 4.663 4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.673 4.647 5.843 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -5.557 1.433 3.308 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -6.522 3.362 4.662 1.00 0.00 H new ATOM 580 N ASP A 41 1.462 3.435 4.999 1.00 0.00 N ATOM 581 CA ASP A 41 2.734 3.918 5.524 1.00 0.00 C ATOM 582 C ASP A 41 2.512 5.032 6.543 1.00 0.00 C ATOM 583 O ASP A 41 3.287 5.188 7.486 1.00 0.00 O ATOM 584 CB ASP A 41 3.623 4.420 4.386 1.00 0.00 C ATOM 585 CG ASP A 41 3.363 5.875 4.047 1.00 0.00 C ATOM 586 OD1 ASP A 41 4.021 6.750 4.647 1.00 0.00 O ATOM 587 OD2 ASP A 41 2.500 6.139 3.183 1.00 0.00 O ATOM 0 H ASP A 41 1.462 3.252 3.996 1.00 0.00 H new ATOM 0 HA ASP A 41 3.232 3.087 6.023 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.669 4.296 4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.455 3.808 3.500 1.00 0.00 H new ATOM 592 N GLY A 42 1.449 5.806 6.346 1.00 0.00 N ATOM 593 CA GLY A 42 1.145 6.896 7.254 1.00 0.00 C ATOM 594 C GLY A 42 0.697 6.407 8.617 1.00 0.00 C ATOM 595 O GLY A 42 1.304 6.741 9.635 1.00 0.00 O ATOM 0 H GLY A 42 0.793 5.697 5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.027 7.526 7.369 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.363 7.519 6.820 1.00 0.00 H new ATOM 599 N CYS A 43 -0.370 5.616 8.638 1.00 0.00 N ATOM 600 CA CYS A 43 -0.902 5.082 9.886 1.00 0.00 C ATOM 601 C CYS A 43 0.223 4.577 10.784 1.00 0.00 C ATOM 602 O CYS A 43 0.195 4.769 12.001 1.00 0.00 O ATOM 603 CB CYS A 43 -1.890 3.949 9.600 1.00 0.00 C ATOM 604 SG CYS A 43 -3.503 4.510 8.966 1.00 0.00 S ATOM 0 H CYS A 43 -0.884 5.330 7.804 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.423 5.887 10.404 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.444 3.267 8.876 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.050 3.381 10.516 1.00 0.00 H new ATOM 609 N LEU A 44 1.212 3.930 10.178 1.00 0.00 N ATOM 610 CA LEU A 44 2.347 3.396 10.922 1.00 0.00 C ATOM 611 C LEU A 44 3.106 4.513 11.632 1.00 0.00 C ATOM 612 O LEU A 44 3.246 4.501 12.855 1.00 0.00 O ATOM 613 CB LEU A 44 3.289 2.642 9.982 1.00 0.00 C ATOM 614 CG LEU A 44 2.647 1.558 9.116 1.00 0.00 C ATOM 615 CD1 LEU A 44 3.475 1.316 7.863 1.00 0.00 C ATOM 616 CD2 LEU A 44 2.487 0.268 9.908 1.00 0.00 C ATOM 0 H LEU A 44 1.251 3.762 9.173 1.00 0.00 H new ATOM 0 HA LEU A 44 1.965 2.706 11.674 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.770 3.366 9.325 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.076 2.182 10.580 1.00 0.00 H new ATOM 0 HG LEU A 44 1.658 1.901 8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.003 0.541 7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.539 2.238 7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.477 0.995 8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.028 -0.492 9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.465 -0.078 10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.852 0.450 10.775 1.00 0.00 H new ATOM 628 N ARG A 45 3.591 5.477 10.858 1.00 0.00 N ATOM 629 CA ARG A 45 4.334 6.602 11.413 1.00 0.00 C ATOM 630 C ARG A 45 3.491 7.357 12.438 1.00 0.00 C ATOM 631 O ARG A 45 4.025 7.998 13.344 1.00 0.00 O ATOM 632 CB ARG A 45 4.772 7.552 10.297 1.00 0.00 C ATOM 633 CG ARG A 45 3.651 8.436 9.775 1.00 0.00 C ATOM 634 CD ARG A 45 4.189 9.746 9.218 1.00 0.00 C ATOM 635 NE ARG A 45 4.337 10.761 10.256 1.00 0.00 N ATOM 636 CZ ARG A 45 4.488 12.057 10.002 1.00 0.00 C ATOM 637 NH1 ARG A 45 4.508 12.491 8.749 1.00 0.00 N ATOM 638 NH2 ARG A 45 4.618 12.919 11.000 1.00 0.00 N ATOM 0 H ARG A 45 3.483 5.502 9.844 1.00 0.00 H new ATOM 0 HA ARG A 45 5.219 6.209 11.914 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.580 8.184 10.666 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.176 6.967 9.471 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.101 7.907 8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.945 8.644 10.579 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.154 9.569 8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.516 10.114 8.444 1.00 0.00 H new ATOM 0 HE ARG A 45 4.324 10.459 11.230 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.407 11.830 7.979 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.624 13.486 8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.602 12.588 11.965 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.734 13.913 10.803 1.00 0.00 H new ATOM 652 N ARG A 46 2.174 7.278 12.287 1.00 0.00 N ATOM 653 CA ARG A 46 1.258 7.955 13.197 1.00 0.00 C ATOM 654 C ARG A 46 1.471 7.483 14.633 1.00 0.00 C ATOM 655 O ARG A 46 1.814 8.274 15.511 1.00 0.00 O ATOM 656 CB ARG A 46 -0.191 7.704 12.776 1.00 0.00 C ATOM 657 CG ARG A 46 -1.178 8.693 13.373 1.00 0.00 C ATOM 658 CD ARG A 46 -1.651 8.248 14.749 1.00 0.00 C ATOM 659 NE ARG A 46 -2.635 9.168 15.314 1.00 0.00 N ATOM 660 CZ ARG A 46 -3.424 8.861 16.337 1.00 0.00 C ATOM 661 NH1 ARG A 46 -3.345 7.666 16.905 1.00 0.00 N ATOM 662 NH2 ARG A 46 -4.296 9.751 16.795 1.00 0.00 N ATOM 0 H ARG A 46 1.717 6.752 11.543 1.00 0.00 H new ATOM 0 HA ARG A 46 1.463 9.025 13.150 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.258 7.748 11.689 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.477 6.695 13.072 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.710 9.675 13.448 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.036 8.798 12.709 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.086 7.251 14.678 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.795 8.175 15.420 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.721 10.096 14.900 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.677 6.979 16.556 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.953 7.434 17.691 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.360 10.672 16.361 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.902 9.514 17.581 1.00 0.00 H new ATOM 676 N MET A 47 1.267 6.191 14.863 1.00 0.00 N ATOM 677 CA MET A 47 1.436 5.614 16.191 1.00 0.00 C ATOM 678 C MET A 47 2.912 5.379 16.497 1.00 0.00 C ATOM 679 O MET A 47 3.432 5.856 17.505 1.00 0.00 O ATOM 680 CB MET A 47 0.665 4.299 16.304 1.00 0.00 C ATOM 681 CG MET A 47 -0.843 4.483 16.386 1.00 0.00 C ATOM 682 SD MET A 47 -1.647 3.191 17.351 1.00 0.00 S ATOM 683 CE MET A 47 -1.183 1.733 16.420 1.00 0.00 C ATOM 0 H MET A 47 0.984 5.523 14.146 1.00 0.00 H new ATOM 0 HA MET A 47 1.039 6.321 16.919 1.00 0.00 H new ATOM 0 HB2 MET A 47 0.900 3.674 15.442 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.006 3.762 17.189 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.063 5.454 16.830 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.260 4.492 15.379 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.024 1.041 16.385 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.908 2.021 15.405 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.334 1.248 16.902 1.00 0.00 H new ATOM 693 N GLY A 48 3.583 4.640 15.619 1.00 0.00 N ATOM 694 CA GLY A 48 4.993 4.354 15.813 1.00 0.00 C ATOM 695 C GLY A 48 5.328 2.897 15.567 1.00 0.00 C ATOM 696 O GLY A 48 5.929 2.239 16.418 1.00 0.00 O ATOM 0 H GLY A 48 3.176 4.234 14.777 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.583 4.978 15.141 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.278 4.623 16.830 1.00 0.00 H new ATOM 700 N TYR A 49 4.937 2.389 14.404 1.00 0.00 N ATOM 701 CA TYR A 49 5.196 0.998 14.051 1.00 0.00 C ATOM 702 C TYR A 49 6.495 0.869 13.260 1.00 0.00 C ATOM 703 O TYR A 49 7.307 -0.020 13.518 1.00 0.00 O ATOM 704 CB TYR A 49 4.032 0.430 13.238 1.00 0.00 C ATOM 705 CG TYR A 49 2.895 -0.089 14.089 1.00 0.00 C ATOM 706 CD1 TYR A 49 3.112 -1.072 15.046 1.00 0.00 C ATOM 707 CD2 TYR A 49 1.605 0.403 13.935 1.00 0.00 C ATOM 708 CE1 TYR A 49 2.076 -1.550 15.826 1.00 0.00 C ATOM 709 CE2 TYR A 49 0.564 -0.069 14.711 1.00 0.00 C ATOM 710 CZ TYR A 49 0.805 -1.045 15.654 1.00 0.00 C ATOM 711 OH TYR A 49 -0.231 -1.519 16.428 1.00 0.00 O ATOM 0 H TYR A 49 4.439 2.920 13.689 1.00 0.00 H new ATOM 0 HA TYR A 49 5.296 0.428 14.975 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.652 1.205 12.573 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.401 -0.379 12.607 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.107 -1.469 15.183 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.413 1.167 13.196 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.261 -2.315 16.566 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.433 0.325 14.579 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.060 -1.058 16.182 1.00 0.00 H new ATOM 721 N ILE A 50 6.684 1.763 12.296 1.00 0.00 N ATOM 722 CA ILE A 50 7.882 1.751 11.467 1.00 0.00 C ATOM 723 C ILE A 50 8.665 3.051 11.616 1.00 0.00 C ATOM 724 O ILE A 50 9.893 3.061 11.527 1.00 0.00 O ATOM 725 CB ILE A 50 7.538 1.539 9.981 1.00 0.00 C ATOM 726 CG1 ILE A 50 6.726 2.722 9.449 1.00 0.00 C ATOM 727 CG2 ILE A 50 6.773 0.238 9.796 1.00 0.00 C ATOM 728 CD1 ILE A 50 7.578 3.821 8.854 1.00 0.00 C ATOM 0 H ILE A 50 6.022 2.505 12.070 1.00 0.00 H new ATOM 0 HA ILE A 50 8.495 0.918 11.811 1.00 0.00 H new ATOM 0 HB ILE A 50 8.466 1.476 9.413 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.030 2.363 8.691 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.128 3.136 10.261 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.537 0.102 8.741 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.384 -0.596 10.142 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.849 0.274 10.373 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.936 4.626 8.497 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.256 4.208 9.615 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.156 3.422 8.021 1.00 0.00 H new ATOM 740 N GLN A 51 7.948 4.146 11.845 1.00 0.00 N ATOM 741 CA GLN A 51 8.576 5.451 12.006 1.00 0.00 C ATOM 742 C GLN A 51 8.384 5.976 13.426 1.00 0.00 C ATOM 743 O GLN A 51 7.269 6.296 13.835 1.00 0.00 O ATOM 744 CB GLN A 51 7.998 6.447 11.000 1.00 0.00 C ATOM 745 CG GLN A 51 8.972 7.547 10.605 1.00 0.00 C ATOM 746 CD GLN A 51 8.551 8.271 9.341 1.00 0.00 C ATOM 747 OE1 GLN A 51 8.335 9.483 9.348 1.00 0.00 O ATOM 748 NE2 GLN A 51 8.436 7.530 8.245 1.00 0.00 N ATOM 0 H GLN A 51 6.931 4.155 11.923 1.00 0.00 H new ATOM 0 HA GLN A 51 9.644 5.337 11.821 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.689 5.908 10.104 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.102 6.901 11.424 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.054 8.265 11.421 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.962 7.116 10.460 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.625 6.528 8.284 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.159 7.962 7.364 1.00 0.00 H new ATOM 757 N GLY A 52 9.480 6.059 14.174 1.00 0.00 N ATOM 758 CA GLY A 52 9.411 6.544 15.540 1.00 0.00 C ATOM 759 C GLY A 52 10.644 6.187 16.345 1.00 0.00 C ATOM 760 O GLY A 52 10.542 5.772 17.500 1.00 0.00 O ATOM 0 H GLY A 52 10.414 5.799 13.858 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.287 7.627 15.532 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.530 6.126 16.027 1.00 0.00 H new ATOM 764 N ASP A 53 11.813 6.347 15.735 1.00 0.00 N ATOM 765 CA ASP A 53 13.072 6.038 16.403 1.00 0.00 C ATOM 766 C ASP A 53 14.095 7.149 16.178 1.00 0.00 C ATOM 767 O ASP A 53 14.003 7.902 15.210 1.00 0.00 O ATOM 768 CB ASP A 53 13.629 4.706 15.898 1.00 0.00 C ATOM 769 CG ASP A 53 13.091 3.521 16.676 1.00 0.00 C ATOM 770 OD1 ASP A 53 12.861 3.668 17.894 1.00 0.00 O ATOM 771 OD2 ASP A 53 12.901 2.448 16.066 1.00 0.00 O ATOM 0 H ASP A 53 11.915 6.689 14.779 1.00 0.00 H new ATOM 0 HA ASP A 53 12.877 5.960 17.472 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.380 4.588 14.843 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.717 4.720 15.969 1.00 0.00 H new ATOM 776 N SER A 54 15.066 7.244 17.081 1.00 0.00 N ATOM 777 CA SER A 54 16.102 8.266 16.983 1.00 0.00 C ATOM 778 C SER A 54 17.065 7.955 15.842 1.00 0.00 C ATOM 779 O SER A 54 17.494 8.851 15.116 1.00 0.00 O ATOM 780 CB SER A 54 16.870 8.369 18.302 1.00 0.00 C ATOM 781 OG SER A 54 17.669 9.540 18.336 1.00 0.00 O ATOM 0 H SER A 54 15.157 6.627 17.888 1.00 0.00 H new ATOM 0 HA SER A 54 15.619 9.221 16.776 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.168 8.380 19.136 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.502 7.490 18.428 1.00 0.00 H new ATOM 0 HG SER A 54 18.149 9.584 19.189 1.00 0.00 H new ATOM 787 N ALA A 55 17.402 6.678 15.691 1.00 0.00 N ATOM 788 CA ALA A 55 18.313 6.248 14.638 1.00 0.00 C ATOM 789 C ALA A 55 17.603 6.183 13.290 1.00 0.00 C ATOM 790 O ALA A 55 18.178 5.742 12.296 1.00 0.00 O ATOM 791 CB ALA A 55 18.917 4.895 14.984 1.00 0.00 C ATOM 0 H ALA A 55 17.058 5.924 16.285 1.00 0.00 H new ATOM 0 HA ALA A 55 19.114 6.983 14.562 1.00 0.00 H new ATOM 0 HB1 ALA A 55 19.596 4.585 14.189 1.00 0.00 H new ATOM 0 HB2 ALA A 55 19.467 4.971 15.922 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.121 4.158 15.089 1.00 0.00 H new ATOM 797 N ALA A 56 16.350 6.627 13.265 1.00 0.00 N ATOM 798 CA ALA A 56 15.562 6.621 12.038 1.00 0.00 C ATOM 799 C ALA A 56 15.366 8.035 11.506 1.00 0.00 C ATOM 800 O ALA A 56 14.911 8.922 12.228 1.00 0.00 O ATOM 801 CB ALA A 56 14.217 5.953 12.278 1.00 0.00 C ATOM 0 H ALA A 56 15.859 6.995 14.080 1.00 0.00 H new ATOM 0 HA ALA A 56 16.108 6.051 11.287 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.639 5.956 11.354 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.374 4.925 12.605 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.672 6.499 13.048 1.00 0.00 H new ATOM 807 N GLU A 57 15.711 8.240 10.238 1.00 0.00 N ATOM 808 CA GLU A 57 15.573 9.549 9.610 1.00 0.00 C ATOM 809 C GLU A 57 14.848 9.437 8.273 1.00 0.00 C ATOM 810 O GLU A 57 15.446 9.620 7.212 1.00 0.00 O ATOM 811 CB GLU A 57 16.948 10.188 9.406 1.00 0.00 C ATOM 812 CG GLU A 57 17.558 10.743 10.683 1.00 0.00 C ATOM 813 CD GLU A 57 18.804 11.566 10.425 1.00 0.00 C ATOM 814 OE1 GLU A 57 19.736 11.043 9.779 1.00 0.00 O ATOM 815 OE2 GLU A 57 18.847 12.732 10.869 1.00 0.00 O ATOM 0 H GLU A 57 16.088 7.516 9.626 1.00 0.00 H new ATOM 0 HA GLU A 57 14.981 10.181 10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.625 9.446 8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.861 10.993 8.676 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.820 11.360 11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.804 9.918 11.352 1.00 0.00 H new ATOM 822 N VAL A 58 13.556 9.133 8.330 1.00 0.00 N ATOM 823 CA VAL A 58 12.747 8.996 7.124 1.00 0.00 C ATOM 824 C VAL A 58 11.592 9.991 7.121 1.00 0.00 C ATOM 825 O VAL A 58 10.967 10.237 8.152 1.00 0.00 O ATOM 826 CB VAL A 58 12.183 7.569 6.986 1.00 0.00 C ATOM 827 CG1 VAL A 58 11.292 7.465 5.756 1.00 0.00 C ATOM 828 CG2 VAL A 58 13.313 6.553 6.924 1.00 0.00 C ATOM 0 H VAL A 58 13.046 8.977 9.199 1.00 0.00 H new ATOM 0 HA VAL A 58 13.402 9.203 6.278 1.00 0.00 H new ATOM 0 HB VAL A 58 11.577 7.349 7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.902 6.450 5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.462 8.166 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.873 7.704 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 58 12.896 5.551 6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.948 6.767 6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.906 6.612 7.837 1.00 0.00 H new ATOM 838 N THR A 59 11.314 10.562 5.953 1.00 0.00 N ATOM 839 CA THR A 59 10.233 11.531 5.815 1.00 0.00 C ATOM 840 C THR A 59 9.806 11.673 4.358 1.00 0.00 C ATOM 841 O THR A 59 10.644 11.804 3.467 1.00 0.00 O ATOM 842 CB THR A 59 10.647 12.914 6.354 1.00 0.00 C ATOM 843 OG1 THR A 59 9.568 13.841 6.201 1.00 0.00 O ATOM 844 CG2 THR A 59 11.877 13.432 5.624 1.00 0.00 C ATOM 0 H THR A 59 11.822 10.370 5.089 1.00 0.00 H new ATOM 0 HA THR A 59 9.394 11.156 6.402 1.00 0.00 H new ATOM 0 HB THR A 59 10.889 12.811 7.412 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.838 14.717 6.547 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.151 14.409 6.021 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.705 12.737 5.767 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.658 13.521 4.560 1.00 0.00 H new ATOM 852 N GLU A 60 8.497 11.647 4.126 1.00 0.00 N ATOM 853 CA GLU A 60 7.960 11.773 2.776 1.00 0.00 C ATOM 854 C GLU A 60 8.591 10.746 1.841 1.00 0.00 C ATOM 855 O GLU A 60 8.937 11.057 0.702 1.00 0.00 O ATOM 856 CB GLU A 60 8.200 13.185 2.237 1.00 0.00 C ATOM 857 CG GLU A 60 7.257 14.226 2.816 1.00 0.00 C ATOM 858 CD GLU A 60 5.797 13.850 2.644 1.00 0.00 C ATOM 859 OE1 GLU A 60 5.252 14.077 1.544 1.00 0.00 O ATOM 860 OE2 GLU A 60 5.201 13.329 3.610 1.00 0.00 O ATOM 0 H GLU A 60 7.790 11.540 4.854 1.00 0.00 H new ATOM 0 HA GLU A 60 6.887 11.587 2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.227 13.478 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.093 13.174 1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.472 14.356 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.441 15.186 2.333 1.00 0.00 H new ATOM 867 N MET A 61 8.739 9.519 2.331 1.00 0.00 N ATOM 868 CA MET A 61 9.327 8.446 1.540 1.00 0.00 C ATOM 869 C MET A 61 8.294 7.836 0.597 1.00 0.00 C ATOM 870 O MET A 61 8.590 7.553 -0.563 1.00 0.00 O ATOM 871 CB MET A 61 9.900 7.363 2.456 1.00 0.00 C ATOM 872 CG MET A 61 10.254 6.076 1.728 1.00 0.00 C ATOM 873 SD MET A 61 11.971 6.039 1.176 1.00 0.00 S ATOM 874 CE MET A 61 11.932 7.263 -0.130 1.00 0.00 C ATOM 0 H MET A 61 8.459 9.244 3.273 1.00 0.00 H new ATOM 0 HA MET A 61 10.133 8.870 0.942 1.00 0.00 H new ATOM 0 HB2 MET A 61 10.792 7.750 2.948 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.175 7.140 3.239 1.00 0.00 H new ATOM 0 HG2 MET A 61 10.070 5.228 2.388 1.00 0.00 H new ATOM 0 HG3 MET A 61 9.597 5.958 0.866 1.00 0.00 H new ATOM 0 HE1 MET A 61 12.753 7.081 -0.824 1.00 0.00 H new ATOM 0 HE2 MET A 61 10.984 7.195 -0.664 1.00 0.00 H new ATOM 0 HE3 MET A 61 12.035 8.259 0.301 1.00 0.00 H new ATOM 884 N ALA A 62 7.082 7.636 1.103 1.00 0.00 N ATOM 885 CA ALA A 62 6.006 7.062 0.306 1.00 0.00 C ATOM 886 C ALA A 62 5.807 7.842 -0.990 1.00 0.00 C ATOM 887 O ALA A 62 5.765 7.261 -2.075 1.00 0.00 O ATOM 888 CB ALA A 62 4.713 7.030 1.109 1.00 0.00 C ATOM 0 H ALA A 62 6.821 7.863 2.062 1.00 0.00 H new ATOM 0 HA ALA A 62 6.285 6.041 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.918 6.599 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.855 6.424 2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.439 8.045 1.398 1.00 0.00 H new ATOM 894 N HIS A 63 5.684 9.160 -0.869 1.00 0.00 N ATOM 895 CA HIS A 63 5.490 10.018 -2.032 1.00 0.00 C ATOM 896 C HIS A 63 6.689 9.943 -2.971 1.00 0.00 C ATOM 897 O HIS A 63 6.533 9.871 -4.191 1.00 0.00 O ATOM 898 CB HIS A 63 5.263 11.465 -1.591 1.00 0.00 C ATOM 899 CG HIS A 63 4.710 12.342 -2.672 1.00 0.00 C ATOM 900 ND1 HIS A 63 5.346 12.537 -3.881 1.00 0.00 N ATOM 901 CD2 HIS A 63 3.574 13.073 -2.724 1.00 0.00 C ATOM 902 CE1 HIS A 63 4.624 13.354 -4.627 1.00 0.00 C ATOM 903 NE2 HIS A 63 3.543 13.694 -3.949 1.00 0.00 N ATOM 0 H HIS A 63 5.715 9.656 0.022 1.00 0.00 H new ATOM 0 HA HIS A 63 4.609 9.666 -2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.579 11.474 -0.742 1.00 0.00 H new ATOM 0 HB3 HIS A 63 6.208 11.883 -1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.829 13.154 -1.946 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.875 13.687 -5.623 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.806 14.316 -4.281 1.00 0.00 H new ATOM 911 N THR A 64 7.887 9.958 -2.395 1.00 0.00 N ATOM 912 CA THR A 64 9.113 9.892 -3.181 1.00 0.00 C ATOM 913 C THR A 64 8.951 8.961 -4.377 1.00 0.00 C ATOM 914 O THR A 64 8.972 9.403 -5.525 1.00 0.00 O ATOM 915 CB THR A 64 10.302 9.411 -2.328 1.00 0.00 C ATOM 916 OG1 THR A 64 10.491 10.288 -1.212 1.00 0.00 O ATOM 917 CG2 THR A 64 11.576 9.354 -3.157 1.00 0.00 C ATOM 0 H THR A 64 8.034 10.015 -1.387 1.00 0.00 H new ATOM 0 HA THR A 64 9.315 10.903 -3.536 1.00 0.00 H new ATOM 0 HB THR A 64 10.078 8.407 -1.967 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.747 10.183 -0.583 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.401 9.012 -2.533 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.439 8.662 -3.988 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.802 10.347 -3.545 1.00 0.00 H new ATOM 925 N GLU A 65 8.788 7.671 -4.100 1.00 0.00 N ATOM 926 CA GLU A 65 8.622 6.679 -5.154 1.00 0.00 C ATOM 927 C GLU A 65 7.198 6.131 -5.168 1.00 0.00 C ATOM 928 O GLU A 65 6.662 5.738 -4.130 1.00 0.00 O ATOM 929 CB GLU A 65 9.620 5.533 -4.970 1.00 0.00 C ATOM 930 CG GLU A 65 10.046 4.880 -6.273 1.00 0.00 C ATOM 931 CD GLU A 65 11.230 3.949 -6.100 1.00 0.00 C ATOM 932 OE1 GLU A 65 11.159 3.053 -5.234 1.00 0.00 O ATOM 933 OE2 GLU A 65 12.227 4.116 -6.833 1.00 0.00 O ATOM 0 H GLU A 65 8.767 7.289 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 65 8.814 7.168 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.504 5.912 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.176 4.777 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.206 4.321 -6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.300 5.654 -6.997 1.00 0.00 H new ATOM 940 N THR A 66 6.590 6.108 -6.349 1.00 0.00 N ATOM 941 CA THR A 66 5.228 5.610 -6.498 1.00 0.00 C ATOM 942 C THR A 66 5.021 4.328 -5.700 1.00 0.00 C ATOM 943 O THR A 66 5.260 3.229 -6.200 1.00 0.00 O ATOM 944 CB THR A 66 4.886 5.344 -7.975 1.00 0.00 C ATOM 945 OG1 THR A 66 5.118 6.524 -8.753 1.00 0.00 O ATOM 946 CG2 THR A 66 3.434 4.909 -8.125 1.00 0.00 C ATOM 0 H THR A 66 7.019 6.429 -7.217 1.00 0.00 H new ATOM 0 HA THR A 66 4.564 6.384 -6.114 1.00 0.00 H new ATOM 0 HB THR A 66 5.529 4.541 -8.334 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.900 6.345 -9.691 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.216 4.727 -9.177 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.268 3.994 -7.556 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.778 5.694 -7.749 1.00 0.00 H new ATOM 954 N GLY A 67 4.575 4.474 -4.457 1.00 0.00 N ATOM 955 CA GLY A 67 4.343 3.318 -3.610 1.00 0.00 C ATOM 956 C GLY A 67 5.629 2.623 -3.213 1.00 0.00 C ATOM 957 O GLY A 67 6.341 2.088 -4.063 1.00 0.00 O ATOM 0 H GLY A 67 4.370 5.373 -4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.810 3.631 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.698 2.612 -4.133 1.00 0.00 H new ATOM 961 N TRP A 68 5.930 2.631 -1.920 1.00 0.00 N ATOM 962 CA TRP A 68 7.142 1.998 -1.412 1.00 0.00 C ATOM 963 C TRP A 68 6.991 0.481 -1.382 1.00 0.00 C ATOM 964 O TRP A 68 5.985 -0.043 -0.901 1.00 0.00 O ATOM 965 CB TRP A 68 7.467 2.518 -0.011 1.00 0.00 C ATOM 966 CG TRP A 68 8.325 1.584 0.786 1.00 0.00 C ATOM 967 CD1 TRP A 68 7.929 0.794 1.827 1.00 0.00 C ATOM 968 CD2 TRP A 68 9.725 1.344 0.608 1.00 0.00 C ATOM 969 NE1 TRP A 68 8.999 0.077 2.307 1.00 0.00 N ATOM 970 CE2 TRP A 68 10.112 0.396 1.575 1.00 0.00 C ATOM 971 CE3 TRP A 68 10.689 1.836 -0.276 1.00 0.00 C ATOM 972 CZ2 TRP A 68 11.420 -0.067 1.682 1.00 0.00 C ATOM 973 CZ3 TRP A 68 11.988 1.375 -0.168 1.00 0.00 C ATOM 974 CH2 TRP A 68 12.344 0.432 0.805 1.00 0.00 C ATOM 0 H TRP A 68 5.351 3.069 -1.203 1.00 0.00 H new ATOM 0 HA TRP A 68 7.962 2.251 -2.084 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.972 3.480 -0.097 1.00 0.00 H new ATOM 0 HB3 TRP A 68 6.536 2.694 0.528 1.00 0.00 H new ATOM 0 HD1 TRP A 68 6.923 0.740 2.216 1.00 0.00 H new ATOM 0 HE1 TRP A 68 8.969 -0.585 3.082 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.424 2.563 -1.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 11.696 -0.795 2.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.742 1.748 -0.846 1.00 0.00 H new ATOM 0 HH2 TRP A 68 13.368 0.092 0.864 1.00 0.00 H new ATOM 985 N SER A 69 7.995 -0.220 -1.897 1.00 0.00 N ATOM 986 CA SER A 69 7.972 -1.678 -1.931 1.00 0.00 C ATOM 987 C SER A 69 8.488 -2.261 -0.619 1.00 0.00 C ATOM 988 O SER A 69 9.665 -2.124 -0.285 1.00 0.00 O ATOM 989 CB SER A 69 8.815 -2.196 -3.098 1.00 0.00 C ATOM 990 OG SER A 69 8.299 -1.747 -4.339 1.00 0.00 O ATOM 0 H SER A 69 8.835 0.198 -2.297 1.00 0.00 H new ATOM 0 HA SER A 69 6.939 -1.996 -2.069 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.845 -1.857 -2.985 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.834 -3.286 -3.081 1.00 0.00 H new ATOM 0 HG SER A 69 8.856 -2.090 -5.068 1.00 0.00 H new ATOM 996 N CYS A 70 7.598 -2.912 0.122 1.00 0.00 N ATOM 997 CA CYS A 70 7.960 -3.517 1.399 1.00 0.00 C ATOM 998 C CYS A 70 9.261 -4.304 1.278 1.00 0.00 C ATOM 999 O CYS A 70 9.682 -4.664 0.178 1.00 0.00 O ATOM 1000 CB CYS A 70 6.838 -4.436 1.888 1.00 0.00 C ATOM 1001 SG CYS A 70 6.866 -6.100 1.149 1.00 0.00 S ATOM 0 H CYS A 70 6.620 -3.034 -0.140 1.00 0.00 H new ATOM 0 HA CYS A 70 8.106 -2.716 2.124 1.00 0.00 H new ATOM 0 HB2 CYS A 70 6.906 -4.530 2.972 1.00 0.00 H new ATOM 0 HB3 CYS A 70 5.878 -3.969 1.668 1.00 0.00 H new ATOM 1006 N HIS A 71 9.894 -4.569 2.416 1.00 0.00 N ATOM 1007 CA HIS A 71 11.148 -5.314 2.439 1.00 0.00 C ATOM 1008 C HIS A 71 10.912 -6.784 2.103 1.00 0.00 C ATOM 1009 O HIS A 71 11.839 -7.499 1.722 1.00 0.00 O ATOM 1010 CB HIS A 71 11.813 -5.193 3.810 1.00 0.00 C ATOM 1011 CG HIS A 71 11.110 -5.960 4.887 1.00 0.00 C ATOM 1012 ND1 HIS A 71 11.430 -7.260 5.217 1.00 0.00 N ATOM 1013 CD2 HIS A 71 10.098 -5.601 5.712 1.00 0.00 C ATOM 1014 CE1 HIS A 71 10.644 -7.669 6.197 1.00 0.00 C ATOM 1015 NE2 HIS A 71 9.827 -6.682 6.516 1.00 0.00 N ATOM 0 H HIS A 71 9.559 -4.279 3.335 1.00 0.00 H new ATOM 0 HA HIS A 71 11.809 -4.888 1.684 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.842 -5.545 3.738 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.855 -4.141 4.093 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.598 -4.644 5.734 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.666 -8.645 6.659 1.00 0.00 H new ATOM 0 HE2 HIS A 71 9.111 -6.716 7.242 1.00 0.00 H new ATOM 1023 N TYR A 72 9.669 -7.226 2.247 1.00 0.00 N ATOM 1024 CA TYR A 72 9.312 -8.611 1.961 1.00 0.00 C ATOM 1025 C TYR A 72 8.517 -8.712 0.664 1.00 0.00 C ATOM 1026 O TYR A 72 7.602 -9.528 0.544 1.00 0.00 O ATOM 1027 CB TYR A 72 8.500 -9.199 3.118 1.00 0.00 C ATOM 1028 CG TYR A 72 7.141 -8.559 3.289 1.00 0.00 C ATOM 1029 CD1 TYR A 72 7.012 -7.296 3.852 1.00 0.00 C ATOM 1030 CD2 TYR A 72 5.985 -9.219 2.887 1.00 0.00 C ATOM 1031 CE1 TYR A 72 5.772 -6.708 4.013 1.00 0.00 C ATOM 1032 CE2 TYR A 72 4.741 -8.638 3.042 1.00 0.00 C ATOM 1033 CZ TYR A 72 4.640 -7.383 3.605 1.00 0.00 C ATOM 1034 OH TYR A 72 3.403 -6.800 3.762 1.00 0.00 O ATOM 0 H TYR A 72 8.891 -6.646 2.560 1.00 0.00 H new ATOM 0 HA TYR A 72 10.234 -9.181 1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.371 -10.269 2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.065 -9.085 4.043 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.897 -6.764 4.170 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.061 -10.202 2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.689 -5.726 4.455 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.853 -9.164 2.724 1.00 0.00 H new ATOM 0 HH TYR A 72 3.491 -5.986 4.300 1.00 0.00 H new ATOM 1044 N CYS A 73 8.874 -7.879 -0.307 1.00 0.00 N ATOM 1045 CA CYS A 73 8.196 -7.872 -1.598 1.00 0.00 C ATOM 1046 C CYS A 73 8.671 -9.033 -2.468 1.00 0.00 C ATOM 1047 O CYS A 73 8.995 -8.851 -3.642 1.00 0.00 O ATOM 1048 CB CYS A 73 8.441 -6.546 -2.320 1.00 0.00 C ATOM 1049 SG CYS A 73 7.226 -5.248 -1.922 1.00 0.00 S ATOM 0 H CYS A 73 9.630 -7.199 -0.225 1.00 0.00 H new ATOM 0 HA CYS A 73 7.127 -7.988 -1.419 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.438 -6.185 -2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 73 8.429 -6.722 -3.396 1.00 0.00 H new ATOM 1054 N ASP A 74 8.710 -10.225 -1.884 1.00 0.00 N ATOM 1055 CA ASP A 74 9.145 -11.417 -2.605 1.00 0.00 C ATOM 1056 C ASP A 74 8.683 -12.682 -1.890 1.00 0.00 C ATOM 1057 O ASP A 74 8.673 -12.746 -0.662 1.00 0.00 O ATOM 1058 CB ASP A 74 10.667 -11.423 -2.750 1.00 0.00 C ATOM 1059 CG ASP A 74 11.375 -11.178 -1.432 1.00 0.00 C ATOM 1060 OD1 ASP A 74 11.512 -12.138 -0.645 1.00 0.00 O ATOM 1061 OD2 ASP A 74 11.793 -10.027 -1.187 1.00 0.00 O ATOM 0 H ASP A 74 8.446 -10.393 -0.913 1.00 0.00 H new ATOM 0 HA ASP A 74 8.694 -11.398 -3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.986 -12.382 -3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.964 -10.657 -3.466 1.00 0.00 H new ATOM 1066 N ASN A 75 8.300 -13.689 -2.670 1.00 0.00 N ATOM 1067 CA ASN A 75 7.835 -14.954 -2.111 1.00 0.00 C ATOM 1068 C ASN A 75 8.831 -16.073 -2.399 1.00 0.00 C ATOM 1069 O ASN A 75 8.439 -17.208 -2.677 1.00 0.00 O ATOM 1070 CB ASN A 75 6.463 -15.315 -2.683 1.00 0.00 C ATOM 1071 CG ASN A 75 5.324 -14.752 -1.855 1.00 0.00 C ATOM 1072 OD1 ASN A 75 4.727 -13.736 -2.210 1.00 0.00 O ATOM 1073 ND2 ASN A 75 5.019 -15.412 -0.744 1.00 0.00 N ATOM 0 H ASN A 75 8.303 -13.654 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 75 7.750 -14.837 -1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.387 -14.939 -3.703 1.00 0.00 H new ATOM 0 HB3 ASN A 75 6.368 -16.400 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.262 -15.081 -0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.541 -16.250 -0.489 1.00 0.00 H new ATOM 1080 N ILE A 76 10.116 -15.748 -2.330 1.00 0.00 N ATOM 1081 CA ILE A 76 11.166 -16.726 -2.583 1.00 0.00 C ATOM 1082 C ILE A 76 11.270 -17.728 -1.438 1.00 0.00 C ATOM 1083 O ILE A 76 11.315 -17.346 -0.269 1.00 0.00 O ATOM 1084 CB ILE A 76 12.534 -16.046 -2.782 1.00 0.00 C ATOM 1085 CG1 ILE A 76 12.655 -14.819 -1.874 1.00 0.00 C ATOM 1086 CG2 ILE A 76 12.724 -15.654 -4.239 1.00 0.00 C ATOM 1087 CD1 ILE A 76 14.083 -14.391 -1.625 1.00 0.00 C ATOM 0 H ILE A 76 10.456 -14.814 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 76 10.895 -17.251 -3.499 1.00 0.00 H new ATOM 0 HB ILE A 76 13.318 -16.754 -2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.109 -13.990 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.177 -15.036 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.695 -15.175 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 76 12.676 -16.545 -4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 76 11.937 -14.961 -4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 76 14.093 -13.517 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.629 -15.205 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 76 14.559 -14.142 -2.574 1.00 0.00 H new ATOM 1099 N ASN A 77 11.311 -19.010 -1.783 1.00 0.00 N ATOM 1100 CA ASN A 77 11.412 -20.068 -0.783 1.00 0.00 C ATOM 1101 C ASN A 77 12.766 -20.027 -0.082 1.00 0.00 C ATOM 1102 O ASN A 77 13.718 -20.683 -0.507 1.00 0.00 O ATOM 1103 CB ASN A 77 11.204 -21.436 -1.436 1.00 0.00 C ATOM 1104 CG ASN A 77 9.946 -21.489 -2.281 1.00 0.00 C ATOM 1105 OD1 ASN A 77 9.274 -20.476 -2.476 1.00 0.00 O ATOM 1106 ND2 ASN A 77 9.622 -22.673 -2.787 1.00 0.00 N ATOM 0 H ASN A 77 11.276 -19.342 -2.747 1.00 0.00 H new ATOM 0 HA ASN A 77 10.633 -19.906 -0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.067 -21.673 -2.059 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.150 -22.201 -0.661 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.786 -22.770 -3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.209 -23.486 -2.599 1.00 0.00 H new ATOM 1113 N LEU A 78 12.846 -19.252 0.994 1.00 0.00 N ATOM 1114 CA LEU A 78 14.084 -19.125 1.755 1.00 0.00 C ATOM 1115 C LEU A 78 13.973 -19.839 3.099 1.00 0.00 C ATOM 1116 O LEU A 78 13.019 -19.628 3.849 1.00 0.00 O ATOM 1117 CB LEU A 78 14.421 -17.649 1.975 1.00 0.00 C ATOM 1118 CG LEU A 78 15.625 -17.363 2.875 1.00 0.00 C ATOM 1119 CD1 LEU A 78 16.914 -17.798 2.197 1.00 0.00 C ATOM 1120 CD2 LEU A 78 15.681 -15.886 3.236 1.00 0.00 C ATOM 0 H LEU A 78 12.068 -18.702 1.359 1.00 0.00 H new ATOM 0 HA LEU A 78 14.884 -19.593 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 78 14.601 -17.189 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.547 -17.157 2.403 1.00 0.00 H new ATOM 0 HG LEU A 78 15.512 -17.937 3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 78 17.759 -17.587 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.874 -18.868 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 78 17.035 -17.252 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 78 16.543 -15.700 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 78 15.770 -15.292 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.770 -15.606 3.764 1.00 0.00 H new ATOM 1132 N LEU A 79 14.954 -20.684 3.396 1.00 0.00 N ATOM 1133 CA LEU A 79 14.967 -21.429 4.650 1.00 0.00 C ATOM 1134 C LEU A 79 15.675 -20.637 5.747 1.00 0.00 C ATOM 1135 O LEU A 79 16.664 -19.949 5.490 1.00 0.00 O ATOM 1136 CB LEU A 79 15.657 -22.780 4.457 1.00 0.00 C ATOM 1137 CG LEU A 79 14.769 -23.923 3.964 1.00 0.00 C ATOM 1138 CD1 LEU A 79 14.524 -23.801 2.467 1.00 0.00 C ATOM 1139 CD2 LEU A 79 15.397 -25.268 4.295 1.00 0.00 C ATOM 0 H LEU A 79 15.750 -20.870 2.786 1.00 0.00 H new ATOM 0 HA LEU A 79 13.934 -21.595 4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.474 -22.650 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.103 -23.077 5.406 1.00 0.00 H new ATOM 0 HG LEU A 79 13.809 -23.858 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.890 -24.623 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.030 -22.853 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 79 15.476 -23.840 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.751 -26.069 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 79 16.371 -25.344 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 79 15.520 -25.356 5.374 1.00 0.00 H new ATOM 1151 N LEU A 80 15.162 -20.739 6.968 1.00 0.00 N ATOM 1152 CA LEU A 80 15.746 -20.033 8.103 1.00 0.00 C ATOM 1153 C LEU A 80 15.615 -20.857 9.381 1.00 0.00 C ATOM 1154 O LEU A 80 14.660 -21.618 9.547 1.00 0.00 O ATOM 1155 CB LEU A 80 15.069 -18.674 8.287 1.00 0.00 C ATOM 1156 CG LEU A 80 13.714 -18.689 8.995 1.00 0.00 C ATOM 1157 CD1 LEU A 80 13.482 -17.379 9.732 1.00 0.00 C ATOM 1158 CD2 LEU A 80 12.595 -18.947 7.997 1.00 0.00 C ATOM 0 H LEU A 80 14.344 -21.303 7.197 1.00 0.00 H new ATOM 0 HA LEU A 80 16.805 -19.879 7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.743 -18.028 8.850 1.00 0.00 H new ATOM 0 HB3 LEU A 80 14.938 -18.220 7.305 1.00 0.00 H new ATOM 0 HG LEU A 80 13.716 -19.497 9.726 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.513 -17.408 10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 80 14.267 -17.235 10.474 1.00 0.00 H new ATOM 0 HD13 LEU A 80 13.500 -16.553 9.021 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.638 -18.954 8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.592 -18.160 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.753 -19.912 7.514 1.00 0.00 H new ATOM 1170 N THR A 81 16.578 -20.697 10.283 1.00 0.00 N ATOM 1171 CA THR A 81 16.570 -21.425 11.546 1.00 0.00 C ATOM 1172 C THR A 81 15.374 -21.025 12.403 1.00 0.00 C ATOM 1173 O THR A 81 15.373 -19.965 13.028 1.00 0.00 O ATOM 1174 CB THR A 81 17.864 -21.178 12.345 1.00 0.00 C ATOM 1175 OG1 THR A 81 17.999 -19.784 12.640 1.00 0.00 O ATOM 1176 CG2 THR A 81 19.080 -21.657 11.566 1.00 0.00 C ATOM 0 H THR A 81 17.373 -20.070 10.163 1.00 0.00 H new ATOM 0 HA THR A 81 16.500 -22.485 11.300 1.00 0.00 H new ATOM 0 HB THR A 81 17.803 -21.741 13.276 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.119 -19.408 12.851 1.00 0.00 H new ATOM 0 HG21 THR A 81 19.982 -21.472 12.150 1.00 0.00 H new ATOM 0 HG22 THR A 81 18.988 -22.725 11.368 1.00 0.00 H new ATOM 0 HG23 THR A 81 19.143 -21.117 10.621 1.00 0.00 H new ATOM 1184 N GLU A 82 14.357 -21.881 12.428 1.00 0.00 N ATOM 1185 CA GLU A 82 13.155 -21.616 13.208 1.00 0.00 C ATOM 1186 C GLU A 82 13.192 -22.365 14.538 1.00 0.00 C ATOM 1187 O GLU A 82 12.719 -23.497 14.636 1.00 0.00 O ATOM 1188 CB GLU A 82 11.908 -22.018 12.418 1.00 0.00 C ATOM 1189 CG GLU A 82 11.468 -20.977 11.402 1.00 0.00 C ATOM 1190 CD GLU A 82 9.996 -21.087 11.054 1.00 0.00 C ATOM 1191 OE1 GLU A 82 9.157 -20.740 11.912 1.00 0.00 O ATOM 1192 OE2 GLU A 82 9.684 -21.518 9.925 1.00 0.00 O ATOM 0 H GLU A 82 14.342 -22.764 11.917 1.00 0.00 H new ATOM 0 HA GLU A 82 13.116 -20.546 13.415 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.103 -22.958 11.901 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.090 -22.201 13.115 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.671 -19.981 11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.061 -21.087 10.494 1.00 0.00 H new ATOM 1199 N GLU A 83 13.760 -21.725 15.555 1.00 0.00 N ATOM 1200 CA GLU A 83 13.860 -22.331 16.877 1.00 0.00 C ATOM 1201 C GLU A 83 12.932 -21.636 17.867 1.00 0.00 C ATOM 1202 O GLU A 83 13.308 -21.374 19.009 1.00 0.00 O ATOM 1203 CB GLU A 83 15.303 -22.268 17.382 1.00 0.00 C ATOM 1204 CG GLU A 83 15.580 -23.201 18.550 1.00 0.00 C ATOM 1205 CD GLU A 83 16.035 -24.577 18.101 1.00 0.00 C ATOM 1206 OE1 GLU A 83 15.170 -25.396 17.727 1.00 0.00 O ATOM 1207 OE2 GLU A 83 17.258 -24.833 18.123 1.00 0.00 O ATOM 0 H GLU A 83 14.157 -20.788 15.489 1.00 0.00 H new ATOM 0 HA GLU A 83 13.556 -23.375 16.794 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.977 -22.516 16.562 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.529 -21.245 17.683 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.345 -22.760 19.189 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.678 -23.300 19.154 1.00 0.00 H new ATOM 1214 N SER A 84 11.715 -21.338 17.420 1.00 0.00 N ATOM 1215 CA SER A 84 10.733 -20.669 18.265 1.00 0.00 C ATOM 1216 C SER A 84 9.331 -20.804 17.678 1.00 0.00 C ATOM 1217 O SER A 84 9.167 -21.084 16.492 1.00 0.00 O ATOM 1218 CB SER A 84 11.092 -19.191 18.427 1.00 0.00 C ATOM 1219 OG SER A 84 12.021 -19.004 19.480 1.00 0.00 O ATOM 0 H SER A 84 11.386 -21.550 16.478 1.00 0.00 H new ATOM 0 HA SER A 84 10.745 -21.147 19.244 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.512 -18.811 17.496 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.189 -18.614 18.628 1.00 0.00 H new ATOM 0 HG SER A 84 12.599 -19.792 19.550 1.00 0.00 H new ATOM 1225 N GLY A 85 8.322 -20.600 18.520 1.00 0.00 N ATOM 1226 CA GLY A 85 6.947 -20.702 18.069 1.00 0.00 C ATOM 1227 C GLY A 85 5.963 -20.788 19.219 1.00 0.00 C ATOM 1228 O GLY A 85 5.337 -21.821 19.452 1.00 0.00 O ATOM 0 H GLY A 85 8.433 -20.366 19.507 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.705 -19.836 17.452 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.840 -21.584 17.437 1.00 0.00 H new ATOM 1232 N PRO A 86 5.819 -19.681 19.962 1.00 0.00 N ATOM 1233 CA PRO A 86 4.907 -19.610 21.107 1.00 0.00 C ATOM 1234 C PRO A 86 3.442 -19.635 20.684 1.00 0.00 C ATOM 1235 O PRO A 86 2.581 -20.114 21.423 1.00 0.00 O ATOM 1236 CB PRO A 86 5.253 -18.266 21.753 1.00 0.00 C ATOM 1237 CG PRO A 86 5.819 -17.447 20.645 1.00 0.00 C ATOM 1238 CD PRO A 86 6.533 -18.412 19.741 1.00 0.00 C ATOM 0 HA PRO A 86 5.025 -20.463 21.775 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.369 -17.794 22.182 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.973 -18.389 22.562 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.031 -16.919 20.108 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.505 -16.691 21.029 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.482 -18.099 18.698 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.589 -18.496 19.997 1.00 0.00 H new ATOM 1246 N SER A 87 3.165 -19.118 19.492 1.00 0.00 N ATOM 1247 CA SER A 87 1.804 -19.079 18.972 1.00 0.00 C ATOM 1248 C SER A 87 1.765 -19.530 17.515 1.00 0.00 C ATOM 1249 O SER A 87 2.681 -19.251 16.743 1.00 0.00 O ATOM 1250 CB SER A 87 1.228 -17.667 19.095 1.00 0.00 C ATOM 1251 OG SER A 87 -0.113 -17.621 18.641 1.00 0.00 O ATOM 0 H SER A 87 3.866 -18.720 18.867 1.00 0.00 H new ATOM 0 HA SER A 87 1.197 -19.765 19.563 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.275 -17.341 20.134 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.835 -16.972 18.516 1.00 0.00 H new ATOM 0 HG SER A 87 -0.458 -16.708 18.732 1.00 0.00 H new ATOM 1257 N SER A 88 0.697 -20.230 17.148 1.00 0.00 N ATOM 1258 CA SER A 88 0.538 -20.725 15.784 1.00 0.00 C ATOM 1259 C SER A 88 0.666 -19.587 14.776 1.00 0.00 C ATOM 1260 O SER A 88 0.428 -18.424 15.102 1.00 0.00 O ATOM 1261 CB SER A 88 -0.817 -21.415 15.625 1.00 0.00 C ATOM 1262 OG SER A 88 -0.896 -22.578 16.430 1.00 0.00 O ATOM 0 H SER A 88 -0.072 -20.468 17.775 1.00 0.00 H new ATOM 0 HA SER A 88 1.330 -21.449 15.590 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.614 -20.724 15.900 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.972 -21.682 14.580 1.00 0.00 H new ATOM 0 HG SER A 88 -1.773 -22.999 16.311 1.00 0.00 H new ATOM 1268 N GLY A 89 1.041 -19.932 13.549 1.00 0.00 N ATOM 1269 CA GLY A 89 1.194 -18.929 12.510 1.00 0.00 C ATOM 1270 C GLY A 89 2.198 -19.339 11.452 1.00 0.00 C ATOM 1271 O GLY A 89 3.278 -18.752 11.391 1.00 0.00 O ATOM 0 H GLY A 89 1.242 -20.888 13.255 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.228 -18.748 12.039 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.510 -17.988 12.961 1.00 0.00 H new TER 1275 GLY A 89 HETATM 1276 ZN ZN A 201 -4.503 3.079 7.423 1.00 0.00 ZN HETATM 1277 ZN ZN A 401 5.388 -6.070 -0.707 1.00 0.00 ZN