USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 603 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 44 GLN :FLIP amide:sc= 0 X(o=-4.3,f=-4.2) USER MOD Set 2.2: A 46 HIS :FLIP no HD1:sc= -4.23! C(o=-4.8!,f=-4.2!) 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 48:sc= 0.0659 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 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.391 K(o=-0.39,f=-3.2!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 50:sc= 0.272 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 17 THR OG1 : rot 58:sc= 0.924 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.033 USER MOD Single : A 28 GLN : amide:sc= -4.19! C(o=-4.2!,f=-6.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -144:sc= -3.1 (180deg=-6.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc=-0.00911 X(o=-0.0091,f=-0.042) USER MOD Single : A 55 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 58 THR OG1 : rot -150:sc= 1.62 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -134:sc= -9.23! (180deg=-11!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.051) USER MOD Single : A 72 ASN : amide:sc= 0.0409 K(o=0.041,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc=-0.00596 (180deg=-0.144) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.986 -33.602 -1.784 1.00 0.00 N ATOM 2 CA GLY A 1 3.435 -33.541 -1.693 1.00 0.00 C ATOM 3 C GLY A 1 3.977 -32.295 -2.397 1.00 0.00 C ATOM 4 O GLY A 1 4.665 -32.401 -3.411 1.00 0.00 O ATOM 0 H1 GLY A 1 1.643 -34.456 -1.299 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.574 -32.760 -1.334 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.702 -33.634 -2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.737 -33.532 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.869 -34.434 -2.142 1.00 0.00 H new ATOM 8 N SER A 2 3.645 -31.144 -1.832 1.00 0.00 N ATOM 9 CA SER A 2 4.090 -29.879 -2.393 1.00 0.00 C ATOM 10 C SER A 2 3.619 -29.756 -3.843 1.00 0.00 C ATOM 11 O SER A 2 4.195 -30.369 -4.741 1.00 0.00 O ATOM 12 CB SER A 2 5.612 -29.748 -2.315 1.00 0.00 C ATOM 13 OG SER A 2 6.012 -28.624 -1.536 1.00 0.00 O ATOM 0 H SER A 2 3.073 -31.060 -0.992 1.00 0.00 H new ATOM 0 HA SER A 2 3.653 -29.071 -1.807 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.032 -30.656 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.020 -29.655 -3.322 1.00 0.00 H new ATOM 0 HG SER A 2 6.990 -28.576 -1.509 1.00 0.00 H new ATOM 19 N SER A 3 2.577 -28.959 -4.028 1.00 0.00 N ATOM 20 CA SER A 3 2.022 -28.747 -5.354 1.00 0.00 C ATOM 21 C SER A 3 1.141 -27.497 -5.359 1.00 0.00 C ATOM 22 O SER A 3 0.803 -26.967 -4.302 1.00 0.00 O ATOM 23 CB SER A 3 1.219 -29.965 -5.816 1.00 0.00 C ATOM 24 OG SER A 3 1.925 -30.734 -6.785 1.00 0.00 O ATOM 0 H SER A 3 2.102 -28.452 -3.281 1.00 0.00 H new ATOM 0 HA SER A 3 2.847 -28.604 -6.051 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.985 -30.592 -4.956 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.270 -29.635 -6.237 1.00 0.00 H new ATOM 0 HG SER A 3 2.842 -30.888 -6.476 1.00 0.00 H new ATOM 30 N GLY A 4 0.794 -27.061 -6.561 1.00 0.00 N ATOM 31 CA GLY A 4 -0.042 -25.883 -6.718 1.00 0.00 C ATOM 32 C GLY A 4 0.263 -25.166 -8.035 1.00 0.00 C ATOM 33 O GLY A 4 -0.257 -25.542 -9.085 1.00 0.00 O ATOM 0 H GLY A 4 1.077 -27.503 -7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.093 -26.172 -6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.122 -25.202 -5.883 1.00 0.00 H new ATOM 37 N SER A 5 1.104 -24.147 -7.937 1.00 0.00 N ATOM 38 CA SER A 5 1.483 -23.375 -9.108 1.00 0.00 C ATOM 39 C SER A 5 0.269 -22.620 -9.653 1.00 0.00 C ATOM 40 O SER A 5 -0.870 -22.967 -9.348 1.00 0.00 O ATOM 41 CB SER A 5 2.080 -24.275 -10.192 1.00 0.00 C ATOM 42 OG SER A 5 3.503 -24.212 -10.215 1.00 0.00 O ATOM 0 H SER A 5 1.534 -23.838 -7.065 1.00 0.00 H new ATOM 0 HA SER A 5 2.246 -22.656 -8.811 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.766 -25.305 -10.022 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.688 -23.979 -11.165 1.00 0.00 H new ATOM 0 HG SER A 5 3.845 -24.802 -10.919 1.00 0.00 H new ATOM 48 N SER A 6 0.555 -21.601 -10.450 1.00 0.00 N ATOM 49 CA SER A 6 -0.499 -20.794 -11.040 1.00 0.00 C ATOM 50 C SER A 6 -1.603 -21.698 -11.592 1.00 0.00 C ATOM 51 O SER A 6 -1.399 -22.401 -12.581 1.00 0.00 O ATOM 52 CB SER A 6 0.052 -19.893 -12.147 1.00 0.00 C ATOM 53 OG SER A 6 0.403 -18.601 -11.659 1.00 0.00 O ATOM 0 H SER A 6 1.502 -21.316 -10.701 1.00 0.00 H new ATOM 0 HA SER A 6 -0.917 -20.155 -10.262 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.929 -20.362 -12.594 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.693 -19.792 -12.937 1.00 0.00 H new ATOM 0 HG SER A 6 0.752 -18.057 -12.396 1.00 0.00 H new ATOM 59 N GLY A 7 -2.749 -21.651 -10.929 1.00 0.00 N ATOM 60 CA GLY A 7 -3.886 -22.457 -11.341 1.00 0.00 C ATOM 61 C GLY A 7 -4.219 -22.222 -12.815 1.00 0.00 C ATOM 62 O GLY A 7 -3.619 -22.834 -13.697 1.00 0.00 O ATOM 0 H GLY A 7 -2.915 -21.067 -10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.667 -23.512 -11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.752 -22.213 -10.725 1.00 0.00 H new ATOM 66 N SER A 8 -5.177 -21.333 -13.037 1.00 0.00 N ATOM 67 CA SER A 8 -5.597 -21.009 -14.390 1.00 0.00 C ATOM 68 C SER A 8 -4.751 -19.860 -14.940 1.00 0.00 C ATOM 69 O SER A 8 -4.663 -18.799 -14.325 1.00 0.00 O ATOM 70 CB SER A 8 -7.082 -20.643 -14.432 1.00 0.00 C ATOM 71 OG SER A 8 -7.727 -21.158 -15.594 1.00 0.00 O ATOM 0 H SER A 8 -5.674 -20.828 -12.303 1.00 0.00 H new ATOM 0 HA SER A 8 -5.450 -21.890 -15.014 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.576 -21.031 -13.541 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.189 -19.558 -14.409 1.00 0.00 H new ATOM 0 HG SER A 8 -8.673 -20.904 -15.582 1.00 0.00 H new ATOM 77 N ASN A 9 -4.149 -20.110 -16.094 1.00 0.00 N ATOM 78 CA ASN A 9 -3.313 -19.109 -16.734 1.00 0.00 C ATOM 79 C ASN A 9 -4.200 -18.114 -17.484 1.00 0.00 C ATOM 80 O ASN A 9 -4.866 -18.477 -18.452 1.00 0.00 O ATOM 81 CB ASN A 9 -2.362 -19.751 -17.746 1.00 0.00 C ATOM 82 CG ASN A 9 -0.916 -19.698 -17.250 1.00 0.00 C ATOM 83 OD1 ASN A 9 -0.592 -19.048 -16.270 1.00 0.00 O ATOM 84 ND2 ASN A 9 -0.067 -20.416 -17.980 1.00 0.00 N ATOM 0 H ASN A 9 -4.224 -20.991 -16.602 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.731 -18.610 -15.959 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.654 -20.787 -17.918 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.441 -19.235 -18.703 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.922 -20.445 -17.731 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.405 -20.938 -18.789 1.00 0.00 H new ATOM 91 N PRO A 10 -4.179 -16.844 -16.997 1.00 0.00 N ATOM 92 CA PRO A 10 -4.974 -15.794 -17.610 1.00 0.00 C ATOM 93 C PRO A 10 -4.349 -15.334 -18.929 1.00 0.00 C ATOM 94 O PRO A 10 -5.022 -15.296 -19.959 1.00 0.00 O ATOM 95 CB PRO A 10 -5.039 -14.690 -16.567 1.00 0.00 C ATOM 96 CG PRO A 10 -3.900 -14.964 -15.598 1.00 0.00 C ATOM 97 CD PRO A 10 -3.402 -16.377 -15.852 1.00 0.00 C ATOM 0 HA PRO A 10 -5.976 -16.128 -17.880 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.931 -13.709 -17.030 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.000 -14.695 -16.052 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.095 -14.244 -15.742 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.241 -14.859 -14.568 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.334 -16.387 -16.068 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.558 -17.014 -14.981 1.00 0.00 H new ATOM 105 N SER A 11 -3.070 -14.996 -18.855 1.00 0.00 N ATOM 106 CA SER A 11 -2.347 -14.540 -20.031 1.00 0.00 C ATOM 107 C SER A 11 -1.717 -15.733 -20.753 1.00 0.00 C ATOM 108 O SER A 11 -1.427 -16.756 -20.134 1.00 0.00 O ATOM 109 CB SER A 11 -1.272 -13.519 -19.654 1.00 0.00 C ATOM 110 OG SER A 11 -0.339 -14.048 -18.715 1.00 0.00 O ATOM 0 H SER A 11 -2.516 -15.029 -17.999 1.00 0.00 H new ATOM 0 HA SER A 11 -3.055 -14.051 -20.700 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.742 -13.202 -20.552 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.746 -12.632 -19.234 1.00 0.00 H new ATOM 0 HG SER A 11 0.332 -13.366 -18.501 1.00 0.00 H new ATOM 116 N SER A 12 -1.524 -15.562 -22.052 1.00 0.00 N ATOM 117 CA SER A 12 -0.934 -16.612 -22.865 1.00 0.00 C ATOM 118 C SER A 12 0.492 -16.225 -23.265 1.00 0.00 C ATOM 119 O SER A 12 0.712 -15.684 -24.347 1.00 0.00 O ATOM 120 CB SER A 12 -1.779 -16.885 -24.111 1.00 0.00 C ATOM 121 OG SER A 12 -2.071 -15.689 -24.831 1.00 0.00 O ATOM 0 H SER A 12 -1.766 -14.712 -22.562 1.00 0.00 H new ATOM 0 HA SER A 12 -0.903 -17.527 -22.273 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.250 -17.580 -24.763 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.711 -17.369 -23.818 1.00 0.00 H new ATOM 0 HG SER A 12 -1.245 -15.180 -24.969 1.00 0.00 H new ATOM 127 N SER A 13 1.423 -16.518 -22.369 1.00 0.00 N ATOM 128 CA SER A 13 2.821 -16.208 -22.615 1.00 0.00 C ATOM 129 C SER A 13 2.957 -14.773 -23.127 1.00 0.00 C ATOM 130 O SER A 13 2.930 -14.535 -24.333 1.00 0.00 O ATOM 131 CB SER A 13 3.435 -17.189 -23.616 1.00 0.00 C ATOM 132 OG SER A 13 4.084 -18.278 -22.966 1.00 0.00 O ATOM 0 H SER A 13 1.237 -16.967 -21.472 1.00 0.00 H new ATOM 0 HA SER A 13 3.363 -16.304 -21.674 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.655 -17.572 -24.273 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.152 -16.663 -24.246 1.00 0.00 H new ATOM 0 HG SER A 13 4.461 -18.883 -23.639 1.00 0.00 H new ATOM 138 N GLY A 14 3.099 -13.853 -22.184 1.00 0.00 N ATOM 139 CA GLY A 14 3.238 -12.447 -22.524 1.00 0.00 C ATOM 140 C GLY A 14 2.173 -11.604 -21.821 1.00 0.00 C ATOM 141 O GLY A 14 1.539 -12.064 -20.873 1.00 0.00 O ATOM 0 H GLY A 14 3.121 -14.054 -21.184 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.230 -12.097 -22.239 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.153 -12.320 -23.603 1.00 0.00 H new ATOM 145 N GLY A 15 2.010 -10.384 -22.312 1.00 0.00 N ATOM 146 CA GLY A 15 1.032 -9.473 -21.742 1.00 0.00 C ATOM 147 C GLY A 15 1.622 -8.072 -21.573 1.00 0.00 C ATOM 148 O GLY A 15 2.260 -7.780 -20.562 1.00 0.00 O ATOM 0 H GLY A 15 2.539 -10.005 -23.098 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.154 -9.427 -22.386 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.698 -9.850 -20.775 1.00 0.00 H new ATOM 152 N THR A 16 1.389 -7.241 -22.578 1.00 0.00 N ATOM 153 CA THR A 16 1.889 -5.877 -22.554 1.00 0.00 C ATOM 154 C THR A 16 0.803 -4.919 -22.062 1.00 0.00 C ATOM 155 O THR A 16 -0.377 -5.265 -22.052 1.00 0.00 O ATOM 156 CB THR A 16 2.410 -5.539 -23.952 1.00 0.00 C ATOM 157 OG1 THR A 16 2.946 -4.226 -23.815 1.00 0.00 O ATOM 158 CG2 THR A 16 1.282 -5.376 -24.973 1.00 0.00 C ATOM 0 H THR A 16 0.860 -7.486 -23.415 1.00 0.00 H new ATOM 0 HA THR A 16 2.714 -5.771 -21.850 1.00 0.00 H new ATOM 0 HB THR A 16 3.091 -6.322 -24.285 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.308 -3.929 -24.676 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.706 -5.137 -25.948 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.716 -6.305 -25.041 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.620 -4.570 -24.658 1.00 0.00 H new ATOM 166 N THR A 17 1.240 -3.732 -21.666 1.00 0.00 N ATOM 167 CA THR A 17 0.319 -2.721 -21.174 1.00 0.00 C ATOM 168 C THR A 17 1.047 -1.391 -20.969 1.00 0.00 C ATOM 169 O THR A 17 2.017 -1.320 -20.216 1.00 0.00 O ATOM 170 CB THR A 17 -0.335 -3.258 -19.900 1.00 0.00 C ATOM 171 OG1 THR A 17 -1.650 -3.623 -20.312 1.00 0.00 O ATOM 172 CG2 THR A 17 -0.562 -2.166 -18.853 1.00 0.00 C ATOM 0 H THR A 17 2.220 -3.448 -21.676 1.00 0.00 H new ATOM 0 HA THR A 17 -0.468 -2.516 -21.900 1.00 0.00 H new ATOM 0 HB THR A 17 0.290 -4.044 -19.475 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.595 -4.278 -21.039 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.028 -2.601 -17.969 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.394 -1.722 -18.577 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.214 -1.396 -19.266 1.00 0.00 H new ATOM 180 N LYS A 18 0.552 -0.371 -21.653 1.00 0.00 N ATOM 181 CA LYS A 18 1.143 0.953 -21.556 1.00 0.00 C ATOM 182 C LYS A 18 1.518 1.234 -20.099 1.00 0.00 C ATOM 183 O LYS A 18 2.646 1.628 -19.810 1.00 0.00 O ATOM 184 CB LYS A 18 0.210 2.003 -22.164 1.00 0.00 C ATOM 185 CG LYS A 18 -1.257 1.633 -21.932 1.00 0.00 C ATOM 186 CD LYS A 18 -2.081 2.866 -21.557 1.00 0.00 C ATOM 187 CE LYS A 18 -3.561 2.511 -21.404 1.00 0.00 C ATOM 188 NZ LYS A 18 -4.377 3.256 -22.388 1.00 0.00 N ATOM 0 H LYS A 18 -0.252 -0.434 -22.277 1.00 0.00 H new ATOM 0 HA LYS A 18 2.063 1.003 -22.138 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.417 2.978 -21.723 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.402 2.090 -23.233 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.668 1.177 -22.833 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.327 0.889 -21.138 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.706 3.288 -20.624 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.965 3.632 -22.323 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.700 1.439 -21.544 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.895 2.746 -20.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.379 3.003 -22.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.257 4.278 -22.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.069 3.011 -23.351 1.00 0.00 H new ATOM 202 N ARG A 19 0.549 1.019 -19.220 1.00 0.00 N ATOM 203 CA ARG A 19 0.764 1.243 -17.801 1.00 0.00 C ATOM 204 C ARG A 19 1.781 0.240 -17.252 1.00 0.00 C ATOM 205 O ARG A 19 2.055 -0.779 -17.884 1.00 0.00 O ATOM 206 CB ARG A 19 -0.545 1.112 -17.019 1.00 0.00 C ATOM 207 CG ARG A 19 -1.266 2.459 -16.928 1.00 0.00 C ATOM 208 CD ARG A 19 -2.732 2.269 -16.532 1.00 0.00 C ATOM 209 NE ARG A 19 -2.860 2.249 -15.058 1.00 0.00 N ATOM 210 CZ ARG A 19 -2.699 1.152 -14.305 1.00 0.00 C ATOM 211 NH1 ARG A 19 -2.402 -0.020 -14.883 1.00 0.00 N ATOM 212 NH2 ARG A 19 -2.834 1.228 -12.974 1.00 0.00 N ATOM 0 H ARG A 19 -0.386 0.692 -19.464 1.00 0.00 H new ATOM 0 HA ARG A 19 1.147 2.256 -17.680 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.192 0.381 -17.505 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.338 0.738 -16.016 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.767 3.094 -16.196 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.208 2.972 -17.888 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.337 3.076 -16.947 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.113 1.337 -16.951 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.085 3.125 -14.586 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.298 -0.077 -15.896 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.279 -0.855 -14.310 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.059 2.120 -12.534 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.712 0.393 -12.400 1.00 0.00 H new ATOM 226 N PHE A 20 2.312 0.565 -16.083 1.00 0.00 N ATOM 227 CA PHE A 20 3.292 -0.295 -15.442 1.00 0.00 C ATOM 228 C PHE A 20 2.668 -1.065 -14.277 1.00 0.00 C ATOM 229 O PHE A 20 2.251 -0.468 -13.285 1.00 0.00 O ATOM 230 CB PHE A 20 4.399 0.613 -14.903 1.00 0.00 C ATOM 231 CG PHE A 20 5.790 -0.025 -14.918 1.00 0.00 C ATOM 232 CD1 PHE A 20 6.380 -0.342 -16.101 1.00 0.00 C ATOM 233 CD2 PHE A 20 6.436 -0.275 -13.747 1.00 0.00 C ATOM 234 CE1 PHE A 20 7.671 -0.934 -16.115 1.00 0.00 C ATOM 235 CE2 PHE A 20 7.726 -0.867 -13.761 1.00 0.00 C ATOM 236 CZ PHE A 20 8.317 -1.184 -14.945 1.00 0.00 C ATOM 0 H PHE A 20 2.082 1.412 -15.563 1.00 0.00 H new ATOM 0 HA PHE A 20 3.674 -1.022 -16.159 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.424 1.528 -15.494 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.153 0.900 -13.881 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.867 -0.144 -17.030 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.967 -0.023 -12.807 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.140 -1.186 -17.055 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.239 -1.066 -12.832 1.00 0.00 H new ATOM 0 HZ PHE A 20 9.299 -1.634 -14.955 1.00 0.00 H new ATOM 246 N ARG A 21 2.623 -2.380 -14.434 1.00 0.00 N ATOM 247 CA ARG A 21 2.056 -3.238 -13.408 1.00 0.00 C ATOM 248 C ARG A 21 3.078 -3.481 -12.295 1.00 0.00 C ATOM 249 O ARG A 21 4.248 -3.747 -12.569 1.00 0.00 O ATOM 250 CB ARG A 21 1.621 -4.583 -13.993 1.00 0.00 C ATOM 251 CG ARG A 21 2.827 -5.380 -14.493 1.00 0.00 C ATOM 252 CD ARG A 21 2.395 -6.741 -15.043 1.00 0.00 C ATOM 253 NE ARG A 21 3.159 -7.056 -16.270 1.00 0.00 N ATOM 254 CZ ARG A 21 3.314 -8.293 -16.762 1.00 0.00 C ATOM 255 NH1 ARG A 21 2.757 -9.338 -16.134 1.00 0.00 N ATOM 256 NH2 ARG A 21 4.024 -8.485 -17.882 1.00 0.00 N ATOM 0 H ARG A 21 2.970 -2.872 -15.257 1.00 0.00 H new ATOM 0 HA ARG A 21 1.181 -2.732 -12.999 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.090 -5.158 -13.235 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.924 -4.418 -14.815 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.343 -4.817 -15.271 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.537 -5.522 -13.678 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.560 -7.515 -14.293 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.327 -6.732 -15.262 1.00 0.00 H new ATOM 0 HE ARG A 21 3.595 -6.283 -16.773 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.215 -9.192 -15.282 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.875 -10.280 -16.508 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.447 -7.690 -18.360 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.142 -9.427 -18.256 1.00 0.00 H new ATOM 270 N THR A 22 2.600 -3.379 -11.064 1.00 0.00 N ATOM 271 CA THR A 22 3.458 -3.584 -9.909 1.00 0.00 C ATOM 272 C THR A 22 2.732 -4.411 -8.846 1.00 0.00 C ATOM 273 O THR A 22 1.522 -4.278 -8.670 1.00 0.00 O ATOM 274 CB THR A 22 3.911 -2.212 -9.407 1.00 0.00 C ATOM 275 OG1 THR A 22 2.724 -1.424 -9.430 1.00 0.00 O ATOM 276 CG2 THR A 22 4.845 -1.507 -10.393 1.00 0.00 C ATOM 0 H THR A 22 1.630 -3.157 -10.841 1.00 0.00 H new ATOM 0 HA THR A 22 4.346 -4.159 -10.173 1.00 0.00 H new ATOM 0 HB THR A 22 4.415 -2.325 -8.447 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.927 -0.518 -9.117 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.137 -0.538 -9.988 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.734 -2.117 -10.551 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.330 -1.363 -11.343 1.00 0.00 H new ATOM 284 N LYS A 23 3.502 -5.247 -8.164 1.00 0.00 N ATOM 285 CA LYS A 23 2.947 -6.095 -7.123 1.00 0.00 C ATOM 286 C LYS A 23 3.720 -5.869 -5.822 1.00 0.00 C ATOM 287 O LYS A 23 4.936 -6.049 -5.778 1.00 0.00 O ATOM 288 CB LYS A 23 2.923 -7.555 -7.578 1.00 0.00 C ATOM 289 CG LYS A 23 2.152 -8.427 -6.584 1.00 0.00 C ATOM 290 CD LYS A 23 3.104 -9.318 -5.784 1.00 0.00 C ATOM 291 CE LYS A 23 2.480 -9.728 -4.448 1.00 0.00 C ATOM 292 NZ LYS A 23 3.417 -10.572 -3.675 1.00 0.00 N ATOM 0 H LYS A 23 4.505 -5.355 -8.312 1.00 0.00 H new ATOM 0 HA LYS A 23 1.908 -5.829 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.461 -7.625 -8.563 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.943 -7.926 -7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.583 -7.793 -5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.432 -9.046 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.348 -10.208 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.039 -8.788 -5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.223 -8.839 -3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.553 -10.273 -4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.977 -10.841 -2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.642 -11.429 -4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.291 -10.040 -3.490 1.00 0.00 H new ATOM 306 N PHE A 24 2.982 -5.479 -4.793 1.00 0.00 N ATOM 307 CA PHE A 24 3.582 -5.226 -3.494 1.00 0.00 C ATOM 308 C PHE A 24 2.751 -5.855 -2.374 1.00 0.00 C ATOM 309 O PHE A 24 1.617 -6.276 -2.599 1.00 0.00 O ATOM 310 CB PHE A 24 3.611 -3.709 -3.301 1.00 0.00 C ATOM 311 CG PHE A 24 4.311 -2.951 -4.431 1.00 0.00 C ATOM 312 CD1 PHE A 24 5.526 -3.368 -4.879 1.00 0.00 C ATOM 313 CD2 PHE A 24 3.719 -1.861 -4.988 1.00 0.00 C ATOM 314 CE1 PHE A 24 6.175 -2.665 -5.927 1.00 0.00 C ATOM 315 CE2 PHE A 24 4.368 -1.157 -6.036 1.00 0.00 C ATOM 316 CZ PHE A 24 5.583 -1.574 -6.484 1.00 0.00 C ATOM 0 H PHE A 24 1.973 -5.332 -4.833 1.00 0.00 H new ATOM 0 HA PHE A 24 4.581 -5.660 -3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.587 -3.345 -3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.112 -3.482 -2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.997 -4.234 -4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.754 -1.531 -4.633 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.139 -2.996 -6.283 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.898 -0.291 -6.477 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.077 -1.039 -7.281 1.00 0.00 H new ATOM 326 N THR A 25 3.347 -5.900 -1.192 1.00 0.00 N ATOM 327 CA THR A 25 2.676 -6.470 -0.036 1.00 0.00 C ATOM 328 C THR A 25 1.974 -5.374 0.768 1.00 0.00 C ATOM 329 O THR A 25 2.373 -4.211 0.719 1.00 0.00 O ATOM 330 CB THR A 25 3.712 -7.250 0.775 1.00 0.00 C ATOM 331 OG1 THR A 25 2.966 -7.792 1.862 1.00 0.00 O ATOM 332 CG2 THR A 25 4.738 -6.336 1.448 1.00 0.00 C ATOM 0 H THR A 25 4.288 -5.551 -1.010 1.00 0.00 H new ATOM 0 HA THR A 25 1.890 -7.162 -0.337 1.00 0.00 H new ATOM 0 HB THR A 25 4.226 -7.956 0.123 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.561 -8.315 2.439 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.450 -6.940 2.011 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.269 -5.763 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.227 -5.652 2.126 1.00 0.00 H new ATOM 340 N ALA A 26 0.941 -5.783 1.490 1.00 0.00 N ATOM 341 CA ALA A 26 0.180 -4.851 2.303 1.00 0.00 C ATOM 342 C ALA A 26 1.138 -3.859 2.966 1.00 0.00 C ATOM 343 O ALA A 26 1.019 -2.651 2.773 1.00 0.00 O ATOM 344 CB ALA A 26 -0.655 -5.627 3.324 1.00 0.00 C ATOM 0 H ALA A 26 0.613 -6.748 1.529 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.511 -4.278 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.226 -4.927 3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.339 -6.295 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.005 -6.212 3.965 1.00 0.00 H new ATOM 350 N GLU A 27 2.068 -4.408 3.735 1.00 0.00 N ATOM 351 CA GLU A 27 3.046 -3.587 4.428 1.00 0.00 C ATOM 352 C GLU A 27 3.487 -2.422 3.539 1.00 0.00 C ATOM 353 O GLU A 27 3.341 -1.260 3.914 1.00 0.00 O ATOM 354 CB GLU A 27 4.248 -4.423 4.872 1.00 0.00 C ATOM 355 CG GLU A 27 4.689 -4.041 6.286 1.00 0.00 C ATOM 356 CD GLU A 27 5.390 -5.213 6.977 1.00 0.00 C ATOM 357 OE1 GLU A 27 6.011 -6.014 6.245 1.00 0.00 O ATOM 358 OE2 GLU A 27 5.289 -5.281 8.221 1.00 0.00 O ATOM 0 H GLU A 27 2.164 -5.411 3.893 1.00 0.00 H new ATOM 0 HA GLU A 27 2.578 -3.178 5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.991 -5.482 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.075 -4.276 4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.362 -3.185 6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.822 -3.735 6.871 1.00 0.00 H new ATOM 365 N GLN A 28 4.018 -2.775 2.377 1.00 0.00 N ATOM 366 CA GLN A 28 4.481 -1.773 1.431 1.00 0.00 C ATOM 367 C GLN A 28 3.383 -0.740 1.172 1.00 0.00 C ATOM 368 O GLN A 28 3.590 0.455 1.375 1.00 0.00 O ATOM 369 CB GLN A 28 4.941 -2.424 0.125 1.00 0.00 C ATOM 370 CG GLN A 28 6.430 -2.171 -0.119 1.00 0.00 C ATOM 371 CD GLN A 28 6.946 -3.016 -1.285 1.00 0.00 C ATOM 372 OE1 GLN A 28 6.226 -3.797 -1.886 1.00 0.00 O ATOM 373 NE2 GLN A 28 8.230 -2.817 -1.571 1.00 0.00 N ATOM 0 H GLN A 28 4.138 -3.740 2.069 1.00 0.00 H new ATOM 0 HA GLN A 28 5.339 -1.260 1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.752 -3.497 0.163 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.360 -2.027 -0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.593 -1.114 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.995 -2.406 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.776 -2.148 -1.028 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.669 -3.333 -2.333 1.00 0.00 H new ATOM 382 N LYS A 29 2.239 -1.238 0.728 1.00 0.00 N ATOM 383 CA LYS A 29 1.108 -0.373 0.439 1.00 0.00 C ATOM 384 C LYS A 29 0.826 0.514 1.653 1.00 0.00 C ATOM 385 O LYS A 29 0.618 1.718 1.512 1.00 0.00 O ATOM 386 CB LYS A 29 -0.098 -1.200 -0.011 1.00 0.00 C ATOM 387 CG LYS A 29 0.186 -1.906 -1.339 1.00 0.00 C ATOM 388 CD LYS A 29 0.253 -3.423 -1.150 1.00 0.00 C ATOM 389 CE LYS A 29 -0.922 -4.114 -1.845 1.00 0.00 C ATOM 390 NZ LYS A 29 -1.813 -4.748 -0.849 1.00 0.00 N ATOM 0 H LYS A 29 2.071 -2.230 0.561 1.00 0.00 H new ATOM 0 HA LYS A 29 1.340 0.290 -0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.342 -1.938 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.968 -0.552 -0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.594 -1.660 -2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.128 -1.545 -1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.192 -3.802 -1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.243 -3.661 -0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.483 -3.387 -2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.550 -4.867 -2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.605 -5.212 -1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.279 -5.456 -0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.183 -4.022 -0.202 1.00 0.00 H new ATOM 404 N GLU A 30 0.828 -0.116 2.819 1.00 0.00 N ATOM 405 CA GLU A 30 0.575 0.601 4.057 1.00 0.00 C ATOM 406 C GLU A 30 1.664 1.650 4.295 1.00 0.00 C ATOM 407 O GLU A 30 1.369 2.837 4.425 1.00 0.00 O ATOM 408 CB GLU A 30 0.477 -0.365 5.240 1.00 0.00 C ATOM 409 CG GLU A 30 -0.740 -1.281 5.100 1.00 0.00 C ATOM 410 CD GLU A 30 -1.126 -1.890 6.450 1.00 0.00 C ATOM 411 OE1 GLU A 30 -0.437 -2.850 6.857 1.00 0.00 O ATOM 412 OE2 GLU A 30 -2.100 -1.381 7.045 1.00 0.00 O ATOM 0 H GLU A 30 1.001 -1.115 2.932 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.383 1.113 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.384 -0.966 5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.407 0.199 6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.581 -0.716 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.521 -2.076 4.387 1.00 0.00 H new ATOM 419 N LYS A 31 2.899 1.174 4.345 1.00 0.00 N ATOM 420 CA LYS A 31 4.033 2.055 4.564 1.00 0.00 C ATOM 421 C LYS A 31 3.926 3.260 3.627 1.00 0.00 C ATOM 422 O LYS A 31 4.027 4.404 4.067 1.00 0.00 O ATOM 423 CB LYS A 31 5.347 1.284 4.426 1.00 0.00 C ATOM 424 CG LYS A 31 5.832 0.780 5.787 1.00 0.00 C ATOM 425 CD LYS A 31 5.807 -0.749 5.846 1.00 0.00 C ATOM 426 CE LYS A 31 7.226 -1.321 5.833 1.00 0.00 C ATOM 427 NZ LYS A 31 7.651 -1.685 7.203 1.00 0.00 N ATOM 0 H LYS A 31 3.139 0.189 4.237 1.00 0.00 H new ATOM 0 HA LYS A 31 4.023 2.441 5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.209 0.440 3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.106 1.928 3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.845 1.138 5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.201 1.188 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.289 -1.073 6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.245 -1.140 4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.264 -2.199 5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.916 -0.588 5.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.616 -2.071 7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.634 -0.839 7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.002 -2.400 7.589 1.00 0.00 H new ATOM 441 N MET A 32 3.722 2.961 2.352 1.00 0.00 N ATOM 442 CA MET A 32 3.600 4.005 1.349 1.00 0.00 C ATOM 443 C MET A 32 2.444 4.950 1.679 1.00 0.00 C ATOM 444 O MET A 32 2.623 6.167 1.716 1.00 0.00 O ATOM 445 CB MET A 32 3.365 3.370 -0.023 1.00 0.00 C ATOM 446 CG MET A 32 4.604 2.603 -0.492 1.00 0.00 C ATOM 447 SD MET A 32 4.113 1.134 -1.379 1.00 0.00 S ATOM 448 CE MET A 32 4.446 1.656 -3.053 1.00 0.00 C ATOM 0 H MET A 32 3.638 2.011 1.991 1.00 0.00 H new ATOM 0 HA MET A 32 4.524 4.582 1.338 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.512 2.694 0.027 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.116 4.145 -0.748 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.214 3.239 -1.134 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.220 2.331 0.365 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.692 1.240 -3.721 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.418 2.744 -3.107 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.432 1.303 -3.355 1.00 0.00 H new ATOM 458 N LEU A 33 1.283 4.355 1.911 1.00 0.00 N ATOM 459 CA LEU A 33 0.097 5.129 2.237 1.00 0.00 C ATOM 460 C LEU A 33 0.467 6.223 3.241 1.00 0.00 C ATOM 461 O LEU A 33 0.060 7.374 3.088 1.00 0.00 O ATOM 462 CB LEU A 33 -1.027 4.209 2.718 1.00 0.00 C ATOM 463 CG LEU A 33 -2.088 3.847 1.676 1.00 0.00 C ATOM 464 CD1 LEU A 33 -3.130 4.961 1.545 1.00 0.00 C ATOM 465 CD2 LEU A 33 -1.443 3.505 0.332 1.00 0.00 C ATOM 0 H LEU A 33 1.138 3.346 1.880 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.288 5.628 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.581 3.286 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.524 4.686 3.563 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.612 2.954 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.872 4.679 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.622 5.114 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.639 5.884 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.219 3.252 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.878 4.364 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.772 2.655 0.456 1.00 0.00 H new ATOM 477 N ALA A 34 1.236 5.826 4.244 1.00 0.00 N ATOM 478 CA ALA A 34 1.665 6.758 5.272 1.00 0.00 C ATOM 479 C ALA A 34 2.832 7.594 4.742 1.00 0.00 C ATOM 480 O ALA A 34 2.762 8.822 4.722 1.00 0.00 O ATOM 481 CB ALA A 34 2.032 5.986 6.542 1.00 0.00 C ATOM 0 H ALA A 34 1.573 4.871 4.366 1.00 0.00 H new ATOM 0 HA ALA A 34 0.857 7.443 5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.354 6.686 7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.162 5.432 6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.842 5.290 6.323 1.00 0.00 H new ATOM 487 N PHE A 35 3.877 6.895 4.324 1.00 0.00 N ATOM 488 CA PHE A 35 5.057 7.558 3.794 1.00 0.00 C ATOM 489 C PHE A 35 4.672 8.789 2.972 1.00 0.00 C ATOM 490 O PHE A 35 5.189 9.881 3.202 1.00 0.00 O ATOM 491 CB PHE A 35 5.764 6.551 2.884 1.00 0.00 C ATOM 492 CG PHE A 35 7.210 6.923 2.550 1.00 0.00 C ATOM 493 CD1 PHE A 35 8.118 7.087 3.549 1.00 0.00 C ATOM 494 CD2 PHE A 35 7.588 7.090 1.254 1.00 0.00 C ATOM 495 CE1 PHE A 35 9.460 7.432 3.240 1.00 0.00 C ATOM 496 CE2 PHE A 35 8.930 7.435 0.945 1.00 0.00 C ATOM 497 CZ PHE A 35 9.838 7.599 1.944 1.00 0.00 C ATOM 0 H PHE A 35 3.931 5.877 4.341 1.00 0.00 H new ATOM 0 HA PHE A 35 5.698 7.888 4.612 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.753 5.573 3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.200 6.457 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.818 6.955 4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.867 6.960 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.181 7.562 4.034 1.00 0.00 H new ATOM 0 HE2 PHE A 35 9.230 7.567 -0.084 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.859 7.862 1.709 1.00 0.00 H new ATOM 507 N ALA A 36 3.767 8.571 2.029 1.00 0.00 N ATOM 508 CA ALA A 36 3.306 9.650 1.171 1.00 0.00 C ATOM 509 C ALA A 36 2.648 10.733 2.028 1.00 0.00 C ATOM 510 O ALA A 36 3.091 11.880 2.033 1.00 0.00 O ATOM 511 CB ALA A 36 2.357 9.089 0.111 1.00 0.00 C ATOM 0 H ALA A 36 3.341 7.664 1.840 1.00 0.00 H new ATOM 0 HA ALA A 36 4.145 10.109 0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.011 9.898 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.881 8.346 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.501 8.623 0.599 1.00 0.00 H new ATOM 517 N GLU A 37 1.601 10.329 2.733 1.00 0.00 N ATOM 518 CA GLU A 37 0.878 11.251 3.592 1.00 0.00 C ATOM 519 C GLU A 37 1.856 12.158 4.342 1.00 0.00 C ATOM 520 O GLU A 37 1.536 13.306 4.645 1.00 0.00 O ATOM 521 CB GLU A 37 -0.027 10.496 4.568 1.00 0.00 C ATOM 522 CG GLU A 37 -1.477 10.494 4.082 1.00 0.00 C ATOM 523 CD GLU A 37 -2.057 11.910 4.080 1.00 0.00 C ATOM 524 OE1 GLU A 37 -1.617 12.704 4.940 1.00 0.00 O ATOM 525 OE2 GLU A 37 -2.927 12.166 3.220 1.00 0.00 O ATOM 0 H GLU A 37 1.237 9.376 2.727 1.00 0.00 H new ATOM 0 HA GLU A 37 0.241 11.876 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.325 9.470 4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.029 10.958 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.527 10.075 3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.079 9.852 4.725 1.00 0.00 H new ATOM 532 N ARG A 38 3.030 11.607 4.618 1.00 0.00 N ATOM 533 CA ARG A 38 4.057 12.352 5.326 1.00 0.00 C ATOM 534 C ARG A 38 4.730 13.354 4.385 1.00 0.00 C ATOM 535 O ARG A 38 4.919 14.516 4.742 1.00 0.00 O ATOM 536 CB ARG A 38 5.118 11.413 5.904 1.00 0.00 C ATOM 537 CG ARG A 38 4.501 10.074 6.312 1.00 0.00 C ATOM 538 CD ARG A 38 5.058 9.601 7.656 1.00 0.00 C ATOM 539 NE ARG A 38 4.326 8.398 8.112 1.00 0.00 N ATOM 540 CZ ARG A 38 4.815 7.508 8.986 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.038 7.680 9.505 1.00 0.00 N ATOM 542 NH2 ARG A 38 4.080 6.445 9.342 1.00 0.00 N ATOM 0 H ARG A 38 3.292 10.654 4.364 1.00 0.00 H new ATOM 0 HA ARG A 38 3.575 12.885 6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.902 11.246 5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.589 11.879 6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.418 10.174 6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.706 9.326 5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.120 9.376 7.560 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.966 10.395 8.397 1.00 0.00 H new ATOM 0 HE ARG A 38 3.391 8.237 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.598 8.489 9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.410 7.002 10.170 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.149 6.314 8.947 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.452 5.767 10.007 1.00 0.00 H new ATOM 556 N LEU A 39 5.074 12.866 3.202 1.00 0.00 N ATOM 557 CA LEU A 39 5.722 13.704 2.208 1.00 0.00 C ATOM 558 C LEU A 39 4.659 14.499 1.446 1.00 0.00 C ATOM 559 O LEU A 39 4.974 15.204 0.488 1.00 0.00 O ATOM 560 CB LEU A 39 6.625 12.862 1.304 1.00 0.00 C ATOM 561 CG LEU A 39 7.332 11.682 1.974 1.00 0.00 C ATOM 562 CD1 LEU A 39 7.052 10.378 1.224 1.00 0.00 C ATOM 563 CD2 LEU A 39 8.831 11.951 2.117 1.00 0.00 C ATOM 0 H LEU A 39 4.916 11.902 2.910 1.00 0.00 H new ATOM 0 HA LEU A 39 6.378 14.429 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.024 12.479 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.382 13.515 0.871 1.00 0.00 H new ATOM 0 HG LEU A 39 6.928 11.568 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.566 9.555 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.979 10.185 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.411 10.464 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.310 11.097 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.269 12.106 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.984 12.842 2.726 1.00 0.00 H new ATOM 575 N GLY A 40 3.423 14.360 1.901 1.00 0.00 N ATOM 576 CA GLY A 40 2.312 15.056 1.275 1.00 0.00 C ATOM 577 C GLY A 40 2.071 14.539 -0.145 1.00 0.00 C ATOM 578 O GLY A 40 1.589 15.276 -1.004 1.00 0.00 O ATOM 0 H GLY A 40 3.166 13.775 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.411 14.921 1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.518 16.126 1.246 1.00 0.00 H new ATOM 582 N TRP A 41 2.418 13.277 -0.347 1.00 0.00 N ATOM 583 CA TRP A 41 2.245 12.653 -1.648 1.00 0.00 C ATOM 584 C TRP A 41 3.196 13.339 -2.631 1.00 0.00 C ATOM 585 O TRP A 41 3.045 13.202 -3.845 1.00 0.00 O ATOM 586 CB TRP A 41 0.783 12.708 -2.093 1.00 0.00 C ATOM 587 CG TRP A 41 -0.160 11.855 -1.242 1.00 0.00 C ATOM 588 CD1 TRP A 41 -0.925 12.246 -0.214 1.00 0.00 C ATOM 589 CD2 TRP A 41 -0.407 10.441 -1.388 1.00 0.00 C ATOM 590 NE1 TRP A 41 -1.645 11.192 0.311 1.00 0.00 N ATOM 591 CE2 TRP A 41 -1.320 10.059 -0.426 1.00 0.00 C ATOM 592 CE3 TRP A 41 0.123 9.514 -2.303 1.00 0.00 C ATOM 593 CZ2 TRP A 41 -1.782 8.745 -0.286 1.00 0.00 C ATOM 594 CZ3 TRP A 41 -0.349 8.205 -2.150 1.00 0.00 C ATOM 595 CH2 TRP A 41 -1.268 7.805 -1.186 1.00 0.00 C ATOM 0 H TRP A 41 2.818 12.669 0.368 1.00 0.00 H new ATOM 0 HA TRP A 41 2.495 11.593 -1.604 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.444 13.744 -2.065 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.717 12.379 -3.130 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.972 13.259 0.157 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.296 11.236 1.095 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.838 9.790 -3.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.497 8.471 0.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.027 7.453 -2.828 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.584 6.774 -1.132 1.00 0.00 H new ATOM 606 N ARG A 42 4.154 14.063 -2.072 1.00 0.00 N ATOM 607 CA ARG A 42 5.129 14.771 -2.884 1.00 0.00 C ATOM 608 C ARG A 42 6.548 14.433 -2.424 1.00 0.00 C ATOM 609 O ARG A 42 6.781 14.194 -1.240 1.00 0.00 O ATOM 610 CB ARG A 42 4.920 16.284 -2.801 1.00 0.00 C ATOM 611 CG ARG A 42 5.733 17.010 -3.875 1.00 0.00 C ATOM 612 CD ARG A 42 6.119 18.417 -3.413 1.00 0.00 C ATOM 613 NE ARG A 42 5.699 19.414 -4.423 1.00 0.00 N ATOM 614 CZ ARG A 42 4.425 19.758 -4.654 1.00 0.00 C ATOM 615 NH1 ARG A 42 3.438 19.188 -3.948 1.00 0.00 N ATOM 616 NH2 ARG A 42 4.137 20.672 -5.590 1.00 0.00 N ATOM 0 H ARG A 42 4.276 14.175 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 42 4.993 14.453 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.862 16.516 -2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.213 16.642 -1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.633 16.439 -4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.153 17.072 -4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.647 18.636 -2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.196 18.475 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 42 6.425 19.868 -4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.657 18.492 -3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.468 19.450 -4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.888 21.106 -6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.167 20.934 -5.766 1.00 0.00 H new ATOM 630 N ILE A 43 7.461 14.424 -3.385 1.00 0.00 N ATOM 631 CA ILE A 43 8.851 14.119 -3.094 1.00 0.00 C ATOM 632 C ILE A 43 9.731 15.285 -3.549 1.00 0.00 C ATOM 633 O ILE A 43 9.670 15.697 -4.707 1.00 0.00 O ATOM 634 CB ILE A 43 9.245 12.774 -3.709 1.00 0.00 C ATOM 635 CG1 ILE A 43 8.493 11.623 -3.038 1.00 0.00 C ATOM 636 CG2 ILE A 43 10.761 12.573 -3.662 1.00 0.00 C ATOM 637 CD1 ILE A 43 8.496 10.376 -3.924 1.00 0.00 C ATOM 0 H ILE A 43 7.264 14.623 -4.366 1.00 0.00 H new ATOM 0 HA ILE A 43 9.000 14.008 -2.020 1.00 0.00 H new ATOM 0 HB ILE A 43 8.953 12.780 -4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.955 11.393 -2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.466 11.925 -2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.014 11.610 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.251 13.370 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.099 12.596 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.955 9.573 -3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.012 10.603 -4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.524 10.062 -4.107 1.00 0.00 H new ATOM 649 N GLN A 44 10.528 15.783 -2.616 1.00 0.00 N ATOM 650 CA GLN A 44 11.418 16.894 -2.907 1.00 0.00 C ATOM 651 C GLN A 44 12.867 16.407 -2.978 1.00 0.00 C ATOM 652 O GLN A 44 13.127 15.207 -2.910 1.00 0.00 O ATOM 653 CB GLN A 44 11.264 18.007 -1.869 1.00 0.00 C ATOM 654 CG GLN A 44 10.336 19.110 -2.382 1.00 0.00 C ATOM 655 CD GLN A 44 10.158 20.209 -1.332 1.00 0.00 C ATOM 656 OE1 GLN A 44 9.665 19.777 -0.175 1.00 0.00 O flip ATOM 657 NE2 GLN A 44 10.448 21.372 -1.558 1.00 0.00 N flip ATOM 0 H GLN A 44 10.576 15.438 -1.657 1.00 0.00 H new ATOM 0 HA GLN A 44 11.146 17.308 -3.878 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.865 17.593 -0.943 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.241 18.429 -1.635 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.746 19.539 -3.297 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.365 18.684 -2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.823 21.636 -2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.316 22.080 -0.836 1.00 0.00 H new ATOM 666 N LYS A 45 13.773 17.365 -3.114 1.00 0.00 N ATOM 667 CA LYS A 45 15.189 17.049 -3.195 1.00 0.00 C ATOM 668 C LYS A 45 15.679 16.569 -1.827 1.00 0.00 C ATOM 669 O LYS A 45 16.716 15.914 -1.730 1.00 0.00 O ATOM 670 CB LYS A 45 15.973 18.241 -3.746 1.00 0.00 C ATOM 671 CG LYS A 45 17.473 17.938 -3.790 1.00 0.00 C ATOM 672 CD LYS A 45 18.145 18.303 -2.465 1.00 0.00 C ATOM 673 CE LYS A 45 18.757 19.704 -2.528 1.00 0.00 C ATOM 674 NZ LYS A 45 20.201 19.625 -2.842 1.00 0.00 N ATOM 0 H LYS A 45 13.554 18.360 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 45 15.358 16.234 -3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.618 18.483 -4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.794 19.118 -3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.628 16.880 -4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.937 18.496 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.414 18.258 -1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.921 17.573 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.246 20.297 -3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.613 20.213 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 20.601 20.584 -2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 20.687 19.077 -2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.331 19.158 -3.762 1.00 0.00 H new ATOM 688 N HIS A 46 14.911 16.915 -0.804 1.00 0.00 N ATOM 689 CA HIS A 46 15.255 16.528 0.554 1.00 0.00 C ATOM 690 C HIS A 46 14.679 15.142 0.853 1.00 0.00 C ATOM 691 O HIS A 46 15.318 14.333 1.524 1.00 0.00 O ATOM 692 CB HIS A 46 14.794 17.590 1.554 1.00 0.00 C ATOM 693 CG HIS A 46 13.346 17.461 1.964 1.00 0.00 C ATOM 694 ND1 HIS A 46 12.725 16.552 2.769 1.00 0.00 N flip ATOM 695 CD2 HIS A 46 12.364 18.335 1.532 1.00 0.00 C flip ATOM 696 CE1 HIS A 46 11.434 16.855 2.826 1.00 0.00 C flip ATOM 697 NE2 HIS A 46 11.209 17.960 2.060 1.00 0.00 N flip ATOM 0 H HIS A 46 14.052 17.459 -0.888 1.00 0.00 H new ATOM 0 HA HIS A 46 16.338 16.463 0.655 1.00 0.00 H new ATOM 0 HB2 HIS A 46 15.420 17.531 2.445 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.951 18.577 1.118 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.514 19.179 0.876 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.685 16.315 3.387 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.309 18.418 1.918 1.00 0.00 H new ATOM 705 N ASP A 47 13.479 14.911 0.341 1.00 0.00 N ATOM 706 CA ASP A 47 12.811 13.638 0.545 1.00 0.00 C ATOM 707 C ASP A 47 13.583 12.538 -0.187 1.00 0.00 C ATOM 708 O ASP A 47 13.487 11.365 0.169 1.00 0.00 O ATOM 709 CB ASP A 47 11.386 13.667 -0.013 1.00 0.00 C ATOM 710 CG ASP A 47 10.487 14.759 0.569 1.00 0.00 C ATOM 711 OD1 ASP A 47 10.909 15.934 0.510 1.00 0.00 O ATOM 712 OD2 ASP A 47 9.396 14.394 1.060 1.00 0.00 O ATOM 0 H ASP A 47 12.952 15.585 -0.215 1.00 0.00 H new ATOM 0 HA ASP A 47 12.774 13.445 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.438 13.797 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.921 12.698 0.169 1.00 0.00 H new ATOM 717 N ASP A 48 14.331 12.957 -1.197 1.00 0.00 N ATOM 718 CA ASP A 48 15.119 12.023 -1.983 1.00 0.00 C ATOM 719 C ASP A 48 15.792 11.017 -1.047 1.00 0.00 C ATOM 720 O ASP A 48 15.957 9.850 -1.398 1.00 0.00 O ATOM 721 CB ASP A 48 16.215 12.748 -2.765 1.00 0.00 C ATOM 722 CG ASP A 48 16.902 11.910 -3.844 1.00 0.00 C ATOM 723 OD1 ASP A 48 16.313 11.803 -4.941 1.00 0.00 O ATOM 724 OD2 ASP A 48 18.002 11.394 -3.548 1.00 0.00 O ATOM 0 H ASP A 48 14.408 13.931 -1.489 1.00 0.00 H new ATOM 0 HA ASP A 48 14.449 11.522 -2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.782 13.632 -3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.971 13.098 -2.062 1.00 0.00 H new ATOM 729 N VAL A 49 16.164 11.507 0.127 1.00 0.00 N ATOM 730 CA VAL A 49 16.815 10.666 1.117 1.00 0.00 C ATOM 731 C VAL A 49 15.785 9.716 1.731 1.00 0.00 C ATOM 732 O VAL A 49 15.949 8.498 1.679 1.00 0.00 O ATOM 733 CB VAL A 49 17.523 11.535 2.158 1.00 0.00 C ATOM 734 CG1 VAL A 49 18.334 10.676 3.130 1.00 0.00 C ATOM 735 CG2 VAL A 49 18.408 12.586 1.485 1.00 0.00 C ATOM 0 H VAL A 49 16.027 12.476 0.415 1.00 0.00 H new ATOM 0 HA VAL A 49 17.584 10.052 0.649 1.00 0.00 H new ATOM 0 HB VAL A 49 16.759 12.059 2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 49 18.827 11.319 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 49 17.669 9.985 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 49 19.085 10.112 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 49 18.900 13.190 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 49 19.162 12.090 0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 49 17.794 13.228 0.853 1.00 0.00 H new ATOM 745 N ALA A 50 14.746 10.310 2.299 1.00 0.00 N ATOM 746 CA ALA A 50 13.689 9.532 2.923 1.00 0.00 C ATOM 747 C ALA A 50 13.202 8.462 1.943 1.00 0.00 C ATOM 748 O ALA A 50 12.904 7.338 2.344 1.00 0.00 O ATOM 749 CB ALA A 50 12.563 10.467 3.371 1.00 0.00 C ATOM 0 H ALA A 50 14.613 11.320 2.340 1.00 0.00 H new ATOM 0 HA ALA A 50 14.062 9.021 3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.770 9.884 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.953 11.189 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.162 10.995 2.506 1.00 0.00 H new ATOM 755 N VAL A 51 13.137 8.850 0.678 1.00 0.00 N ATOM 756 CA VAL A 51 12.692 7.938 -0.362 1.00 0.00 C ATOM 757 C VAL A 51 13.638 6.736 -0.420 1.00 0.00 C ATOM 758 O VAL A 51 13.196 5.602 -0.592 1.00 0.00 O ATOM 759 CB VAL A 51 12.585 8.679 -1.697 1.00 0.00 C ATOM 760 CG1 VAL A 51 12.303 7.705 -2.843 1.00 0.00 C ATOM 761 CG2 VAL A 51 11.518 9.773 -1.632 1.00 0.00 C ATOM 0 H VAL A 51 13.385 9.783 0.350 1.00 0.00 H new ATOM 0 HA VAL A 51 11.696 7.557 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 51 13.544 9.158 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.232 8.257 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.113 6.978 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.364 7.185 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.462 10.284 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.551 9.325 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.779 10.490 -0.854 1.00 0.00 H new ATOM 771 N GLU A 52 14.922 7.027 -0.273 1.00 0.00 N ATOM 772 CA GLU A 52 15.934 5.985 -0.306 1.00 0.00 C ATOM 773 C GLU A 52 15.880 5.152 0.976 1.00 0.00 C ATOM 774 O GLU A 52 15.931 3.924 0.925 1.00 0.00 O ATOM 775 CB GLU A 52 17.328 6.580 -0.515 1.00 0.00 C ATOM 776 CG GLU A 52 17.502 7.079 -1.951 1.00 0.00 C ATOM 777 CD GLU A 52 18.667 6.367 -2.641 1.00 0.00 C ATOM 778 OE1 GLU A 52 19.820 6.660 -2.255 1.00 0.00 O ATOM 779 OE2 GLU A 52 18.380 5.546 -3.539 1.00 0.00 O ATOM 0 H GLU A 52 15.285 7.970 -0.131 1.00 0.00 H new ATOM 0 HA GLU A 52 15.725 5.329 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.484 7.404 0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.085 5.828 -0.293 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.583 6.909 -2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.679 8.154 -1.947 1.00 0.00 H new ATOM 786 N GLN A 53 15.778 5.853 2.095 1.00 0.00 N ATOM 787 CA GLN A 53 15.716 5.193 3.389 1.00 0.00 C ATOM 788 C GLN A 53 14.499 4.268 3.455 1.00 0.00 C ATOM 789 O GLN A 53 14.547 3.219 4.096 1.00 0.00 O ATOM 790 CB GLN A 53 15.690 6.217 4.525 1.00 0.00 C ATOM 791 CG GLN A 53 17.089 6.426 5.107 1.00 0.00 C ATOM 792 CD GLN A 53 17.073 6.305 6.632 1.00 0.00 C ATOM 793 OE1 GLN A 53 16.661 5.305 7.197 1.00 0.00 O ATOM 794 NE2 GLN A 53 17.545 7.375 7.265 1.00 0.00 N ATOM 0 H GLN A 53 15.737 6.871 2.133 1.00 0.00 H new ATOM 0 HA GLN A 53 16.614 4.588 3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.301 7.166 4.155 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.013 5.878 5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.775 5.690 4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.463 7.409 4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.874 8.179 6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.578 7.391 8.284 1.00 0.00 H new ATOM 803 N PHE A 54 13.438 4.690 2.785 1.00 0.00 N ATOM 804 CA PHE A 54 12.210 3.913 2.760 1.00 0.00 C ATOM 805 C PHE A 54 12.383 2.643 1.924 1.00 0.00 C ATOM 806 O PHE A 54 11.963 1.563 2.336 1.00 0.00 O ATOM 807 CB PHE A 54 11.137 4.792 2.115 1.00 0.00 C ATOM 808 CG PHE A 54 9.742 4.164 2.105 1.00 0.00 C ATOM 809 CD1 PHE A 54 8.940 4.274 3.198 1.00 0.00 C ATOM 810 CD2 PHE A 54 9.303 3.498 1.004 1.00 0.00 C ATOM 811 CE1 PHE A 54 7.645 3.691 3.190 1.00 0.00 C ATOM 812 CE2 PHE A 54 8.008 2.915 0.996 1.00 0.00 C ATOM 813 CZ PHE A 54 7.206 3.025 2.089 1.00 0.00 C ATOM 0 H PHE A 54 13.403 5.561 2.255 1.00 0.00 H new ATOM 0 HA PHE A 54 11.937 3.616 3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.093 5.743 2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.432 5.014 1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.288 4.805 4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.939 3.412 0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.009 3.777 4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.660 2.384 0.122 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.220 2.583 2.082 1.00 0.00 H new ATOM 823 N CYS A 55 13.001 2.815 0.765 1.00 0.00 N ATOM 824 CA CYS A 55 13.234 1.696 -0.132 1.00 0.00 C ATOM 825 C CYS A 55 14.038 0.634 0.623 1.00 0.00 C ATOM 826 O CYS A 55 13.700 -0.548 0.586 1.00 0.00 O ATOM 827 CB CYS A 55 13.938 2.138 -1.417 1.00 0.00 C ATOM 828 SG CYS A 55 14.292 0.683 -2.469 1.00 0.00 S ATOM 0 H CYS A 55 13.348 3.713 0.426 1.00 0.00 H new ATOM 0 HA CYS A 55 12.280 1.273 -0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.311 2.846 -1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.866 2.655 -1.174 1.00 0.00 H new ATOM 0 HG CYS A 55 14.888 1.069 -3.558 1.00 0.00 H new ATOM 834 N ALA A 56 15.086 1.095 1.290 1.00 0.00 N ATOM 835 CA ALA A 56 15.940 0.200 2.052 1.00 0.00 C ATOM 836 C ALA A 56 15.071 -0.701 2.932 1.00 0.00 C ATOM 837 O ALA A 56 15.490 -1.792 3.314 1.00 0.00 O ATOM 838 CB ALA A 56 16.942 1.020 2.867 1.00 0.00 C ATOM 0 H ALA A 56 15.363 2.076 1.318 1.00 0.00 H new ATOM 0 HA ALA A 56 16.513 -0.444 1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.582 0.348 3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.554 1.620 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.404 1.677 3.550 1.00 0.00 H new ATOM 844 N GLU A 57 13.877 -0.210 3.228 1.00 0.00 N ATOM 845 CA GLU A 57 12.945 -0.957 4.057 1.00 0.00 C ATOM 846 C GLU A 57 11.981 -1.758 3.180 1.00 0.00 C ATOM 847 O GLU A 57 12.115 -2.974 3.053 1.00 0.00 O ATOM 848 CB GLU A 57 12.183 -0.026 5.001 1.00 0.00 C ATOM 849 CG GLU A 57 12.447 -0.392 6.463 1.00 0.00 C ATOM 850 CD GLU A 57 11.380 -1.355 6.989 1.00 0.00 C ATOM 851 OE1 GLU A 57 10.983 -2.244 6.205 1.00 0.00 O ATOM 852 OE2 GLU A 57 10.986 -1.180 8.162 1.00 0.00 O ATOM 0 H GLU A 57 13.533 0.696 2.909 1.00 0.00 H new ATOM 0 HA GLU A 57 13.514 -1.656 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.484 1.006 4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.115 -0.088 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.432 -0.850 6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.458 0.512 7.072 1.00 0.00 H new ATOM 859 N THR A 58 11.028 -1.044 2.598 1.00 0.00 N ATOM 860 CA THR A 58 10.041 -1.673 1.737 1.00 0.00 C ATOM 861 C THR A 58 10.713 -2.253 0.491 1.00 0.00 C ATOM 862 O THR A 58 10.527 -3.426 0.170 1.00 0.00 O ATOM 863 CB THR A 58 8.962 -0.636 1.419 1.00 0.00 C ATOM 864 OG1 THR A 58 9.688 0.577 1.243 1.00 0.00 O ATOM 865 CG2 THR A 58 8.049 -0.356 2.614 1.00 0.00 C ATOM 0 H THR A 58 10.919 -0.036 2.706 1.00 0.00 H new ATOM 0 HA THR A 58 9.564 -2.518 2.233 1.00 0.00 H new ATOM 0 HB THR A 58 8.361 -0.983 0.578 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.127 1.336 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.302 0.387 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.550 -1.277 2.915 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.644 0.023 3.445 1.00 0.00 H new ATOM 873 N GLY A 59 11.480 -1.405 -0.178 1.00 0.00 N ATOM 874 CA GLY A 59 12.181 -1.819 -1.382 1.00 0.00 C ATOM 875 C GLY A 59 11.596 -1.135 -2.619 1.00 0.00 C ATOM 876 O GLY A 59 11.992 -1.435 -3.744 1.00 0.00 O ATOM 0 H GLY A 59 11.632 -0.433 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.240 -1.575 -1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.112 -2.901 -1.493 1.00 0.00 H new ATOM 880 N VAL A 60 10.663 -0.228 -2.369 1.00 0.00 N ATOM 881 CA VAL A 60 10.020 0.502 -3.448 1.00 0.00 C ATOM 882 C VAL A 60 10.987 1.554 -3.995 1.00 0.00 C ATOM 883 O VAL A 60 11.607 2.290 -3.228 1.00 0.00 O ATOM 884 CB VAL A 60 8.699 1.100 -2.961 1.00 0.00 C ATOM 885 CG1 VAL A 60 8.033 1.928 -4.062 1.00 0.00 C ATOM 886 CG2 VAL A 60 7.757 0.007 -2.452 1.00 0.00 C ATOM 0 H VAL A 60 10.337 0.018 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 60 9.774 -0.171 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 60 8.920 1.767 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.096 2.342 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.696 2.741 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.832 1.292 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.825 0.459 -2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.546 -0.696 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.228 -0.522 -1.623 1.00 0.00 H new ATOM 896 N ARG A 61 11.086 1.591 -5.315 1.00 0.00 N ATOM 897 CA ARG A 61 11.968 2.541 -5.973 1.00 0.00 C ATOM 898 C ARG A 61 11.368 3.948 -5.918 1.00 0.00 C ATOM 899 O ARG A 61 10.150 4.105 -5.867 1.00 0.00 O ATOM 900 CB ARG A 61 12.205 2.152 -7.434 1.00 0.00 C ATOM 901 CG ARG A 61 12.881 0.783 -7.534 1.00 0.00 C ATOM 902 CD ARG A 61 13.540 0.596 -8.902 1.00 0.00 C ATOM 903 NE ARG A 61 14.479 -0.547 -8.859 1.00 0.00 N ATOM 904 CZ ARG A 61 15.022 -1.114 -9.945 1.00 0.00 C ATOM 905 NH1 ARG A 61 14.723 -0.648 -11.165 1.00 0.00 N ATOM 906 NH2 ARG A 61 15.865 -2.147 -9.811 1.00 0.00 N ATOM 0 H ARG A 61 10.570 0.979 -5.947 1.00 0.00 H new ATOM 0 HA ARG A 61 12.922 2.528 -5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.255 2.132 -7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.827 2.905 -7.918 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.631 0.685 -6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.144 -0.003 -7.371 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.778 0.423 -9.662 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.072 1.504 -9.186 1.00 0.00 H new ATOM 0 HE ARG A 61 14.728 -0.927 -7.946 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.082 0.139 -11.267 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.137 -1.080 -11.991 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.093 -2.502 -8.882 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.278 -2.579 -10.638 1.00 0.00 H new ATOM 920 N ARG A 62 12.253 4.934 -5.929 1.00 0.00 N ATOM 921 CA ARG A 62 11.826 6.322 -5.881 1.00 0.00 C ATOM 922 C ARG A 62 10.871 6.624 -7.037 1.00 0.00 C ATOM 923 O ARG A 62 9.837 7.262 -6.842 1.00 0.00 O ATOM 924 CB ARG A 62 13.025 7.270 -5.959 1.00 0.00 C ATOM 925 CG ARG A 62 12.567 8.723 -6.100 1.00 0.00 C ATOM 926 CD ARG A 62 12.432 9.114 -7.572 1.00 0.00 C ATOM 927 NE ARG A 62 13.662 9.797 -8.030 1.00 0.00 N ATOM 928 CZ ARG A 62 13.851 10.249 -9.277 1.00 0.00 C ATOM 929 NH1 ARG A 62 12.891 10.094 -10.199 1.00 0.00 N ATOM 930 NH2 ARG A 62 15.000 10.857 -9.603 1.00 0.00 N ATOM 0 H ARG A 62 13.263 4.799 -5.970 1.00 0.00 H new ATOM 0 HA ARG A 62 11.314 6.478 -4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.637 7.163 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.653 6.999 -6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.610 8.857 -5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.282 9.383 -5.609 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.253 8.226 -8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.571 9.770 -7.705 1.00 0.00 H new ATOM 0 HE ARG A 62 14.413 9.932 -7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.016 9.632 -9.952 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.035 10.438 -11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.731 10.976 -8.902 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.143 11.201 -10.552 1.00 0.00 H new ATOM 944 N GLN A 63 11.250 6.152 -8.215 1.00 0.00 N ATOM 945 CA GLN A 63 10.440 6.364 -9.402 1.00 0.00 C ATOM 946 C GLN A 63 9.091 5.656 -9.258 1.00 0.00 C ATOM 947 O GLN A 63 8.054 6.207 -9.626 1.00 0.00 O ATOM 948 CB GLN A 63 11.174 5.892 -10.659 1.00 0.00 C ATOM 949 CG GLN A 63 10.969 4.393 -10.884 1.00 0.00 C ATOM 950 CD GLN A 63 11.709 3.920 -12.136 1.00 0.00 C ATOM 951 OE1 GLN A 63 12.194 4.703 -12.935 1.00 0.00 O ATOM 952 NE2 GLN A 63 11.769 2.597 -12.262 1.00 0.00 N ATOM 0 H GLN A 63 12.108 5.623 -8.373 1.00 0.00 H new ATOM 0 HA GLN A 63 10.258 7.434 -9.507 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.812 6.446 -11.525 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.238 6.107 -10.565 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.326 3.839 -10.016 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.905 4.179 -10.984 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.342 1.998 -11.556 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.242 2.182 -13.065 1.00 0.00 H new ATOM 961 N VAL A 64 9.148 4.446 -8.720 1.00 0.00 N ATOM 962 CA VAL A 64 7.944 3.658 -8.522 1.00 0.00 C ATOM 963 C VAL A 64 7.101 4.292 -7.414 1.00 0.00 C ATOM 964 O VAL A 64 5.899 4.490 -7.581 1.00 0.00 O ATOM 965 CB VAL A 64 8.314 2.201 -8.233 1.00 0.00 C ATOM 966 CG1 VAL A 64 7.062 1.329 -8.125 1.00 0.00 C ATOM 967 CG2 VAL A 64 9.271 1.658 -9.296 1.00 0.00 C ATOM 0 H VAL A 64 10.009 3.993 -8.415 1.00 0.00 H new ATOM 0 HA VAL A 64 7.338 3.652 -9.428 1.00 0.00 H new ATOM 0 HB VAL A 64 8.828 2.169 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.353 0.299 -7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.431 1.697 -7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.508 1.369 -9.063 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.518 0.621 -9.067 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.795 1.710 -10.275 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.183 2.255 -9.304 1.00 0.00 H new ATOM 977 N LEU A 65 7.765 4.592 -6.307 1.00 0.00 N ATOM 978 CA LEU A 65 7.092 5.199 -5.172 1.00 0.00 C ATOM 979 C LEU A 65 6.427 6.503 -5.617 1.00 0.00 C ATOM 980 O LEU A 65 5.274 6.764 -5.276 1.00 0.00 O ATOM 981 CB LEU A 65 8.063 5.372 -4.003 1.00 0.00 C ATOM 982 CG LEU A 65 7.474 5.168 -2.605 1.00 0.00 C ATOM 983 CD1 LEU A 65 8.564 5.247 -1.534 1.00 0.00 C ATOM 984 CD2 LEU A 65 6.337 6.157 -2.340 1.00 0.00 C ATOM 0 H LEU A 65 8.762 4.426 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 65 6.300 4.546 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.887 4.671 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.487 6.375 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 65 7.047 4.166 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.119 5.099 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.309 4.473 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.042 6.226 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.936 5.991 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.717 7.176 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.547 6.010 -3.077 1.00 0.00 H new ATOM 996 N LYS A 66 7.181 7.287 -6.372 1.00 0.00 N ATOM 997 CA LYS A 66 6.679 8.558 -6.867 1.00 0.00 C ATOM 998 C LYS A 66 5.473 8.306 -7.774 1.00 0.00 C ATOM 999 O LYS A 66 4.397 8.859 -7.550 1.00 0.00 O ATOM 1000 CB LYS A 66 7.801 9.351 -7.542 1.00 0.00 C ATOM 1001 CG LYS A 66 7.328 10.757 -7.918 1.00 0.00 C ATOM 1002 CD LYS A 66 8.511 11.721 -8.028 1.00 0.00 C ATOM 1003 CE LYS A 66 8.989 11.839 -9.476 1.00 0.00 C ATOM 1004 NZ LYS A 66 8.213 12.874 -10.195 1.00 0.00 N ATOM 0 H LYS A 66 8.136 7.067 -6.654 1.00 0.00 H new ATOM 0 HA LYS A 66 6.333 9.179 -6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.658 9.419 -6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.136 8.825 -8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.792 10.723 -8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.626 11.121 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.220 12.703 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.329 11.371 -7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.049 12.092 -9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.881 10.879 -9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.550 12.941 -11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.205 12.617 -10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.338 13.792 -9.722 1.00 0.00 H new ATOM 1018 N ILE A 67 5.693 7.471 -8.779 1.00 0.00 N ATOM 1019 CA ILE A 67 4.637 7.140 -9.721 1.00 0.00 C ATOM 1020 C ILE A 67 3.473 6.491 -8.968 1.00 0.00 C ATOM 1021 O ILE A 67 2.322 6.595 -9.389 1.00 0.00 O ATOM 1022 CB ILE A 67 5.186 6.281 -10.861 1.00 0.00 C ATOM 1023 CG1 ILE A 67 6.338 6.991 -11.577 1.00 0.00 C ATOM 1024 CG2 ILE A 67 4.073 5.876 -11.829 1.00 0.00 C ATOM 1025 CD1 ILE A 67 7.356 5.982 -12.112 1.00 0.00 C ATOM 0 H ILE A 67 6.586 7.014 -8.962 1.00 0.00 H new ATOM 0 HA ILE A 67 4.249 8.044 -10.192 1.00 0.00 H new ATOM 0 HB ILE A 67 5.589 5.363 -10.433 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.946 7.589 -12.400 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.830 7.679 -10.889 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.491 5.266 -12.630 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.316 5.303 -11.294 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.617 6.770 -12.254 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.164 6.513 -12.616 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.764 5.403 -11.284 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.867 5.311 -12.818 1.00 0.00 H new ATOM 1037 N TRP A 68 3.814 5.836 -7.868 1.00 0.00 N ATOM 1038 CA TRP A 68 2.812 5.171 -7.053 1.00 0.00 C ATOM 1039 C TRP A 68 1.966 6.248 -6.371 1.00 0.00 C ATOM 1040 O TRP A 68 0.738 6.212 -6.437 1.00 0.00 O ATOM 1041 CB TRP A 68 3.464 4.206 -6.061 1.00 0.00 C ATOM 1042 CG TRP A 68 2.482 3.566 -5.078 1.00 0.00 C ATOM 1043 CD1 TRP A 68 1.902 2.361 -5.158 1.00 0.00 C ATOM 1044 CD2 TRP A 68 1.986 4.150 -3.854 1.00 0.00 C ATOM 1045 NE1 TRP A 68 1.072 2.126 -4.081 1.00 0.00 N ATOM 1046 CE2 TRP A 68 1.125 3.249 -3.263 1.00 0.00 C ATOM 1047 CE3 TRP A 68 2.257 5.398 -3.267 1.00 0.00 C ATOM 1048 CZ2 TRP A 68 0.463 3.500 -2.055 1.00 0.00 C ATOM 1049 CZ3 TRP A 68 1.588 5.634 -2.060 1.00 0.00 C ATOM 1050 CH2 TRP A 68 0.718 4.737 -1.452 1.00 0.00 C ATOM 0 H TRP A 68 4.770 5.752 -7.522 1.00 0.00 H new ATOM 0 HA TRP A 68 2.159 4.555 -7.671 1.00 0.00 H new ATOM 0 HB2 TRP A 68 3.971 3.418 -6.617 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.228 4.742 -5.498 1.00 0.00 H new ATOM 0 HD1 TRP A 68 2.064 1.661 -5.964 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.521 1.284 -3.915 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.928 6.118 -3.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.208 2.778 -1.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 1.760 6.579 -1.567 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.241 4.993 -0.518 1.00 0.00 H new ATOM 1061 N MET A 69 2.656 7.181 -5.732 1.00 0.00 N ATOM 1062 CA MET A 69 1.983 8.266 -5.039 1.00 0.00 C ATOM 1063 C MET A 69 1.089 9.058 -5.996 1.00 0.00 C ATOM 1064 O MET A 69 -0.101 9.231 -5.740 1.00 0.00 O ATOM 1065 CB MET A 69 3.025 9.202 -4.422 1.00 0.00 C ATOM 1066 CG MET A 69 3.718 8.540 -3.229 1.00 0.00 C ATOM 1067 SD MET A 69 4.270 9.785 -2.076 1.00 0.00 S ATOM 1068 CE MET A 69 5.932 10.047 -2.675 1.00 0.00 C ATOM 0 H MET A 69 3.674 7.208 -5.680 1.00 0.00 H new ATOM 0 HA MET A 69 1.356 7.838 -4.256 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.766 9.473 -5.174 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.544 10.126 -4.101 1.00 0.00 H new ATOM 0 HG2 MET A 69 3.031 7.853 -2.734 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.567 7.949 -3.573 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.625 10.058 -1.833 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.204 9.242 -3.358 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.983 11.001 -3.200 1.00 0.00 H new ATOM 1078 N HIS A 70 1.698 9.517 -7.080 1.00 0.00 N ATOM 1079 CA HIS A 70 0.973 10.286 -8.076 1.00 0.00 C ATOM 1080 C HIS A 70 -0.239 9.486 -8.559 1.00 0.00 C ATOM 1081 O HIS A 70 -1.338 10.028 -8.677 1.00 0.00 O ATOM 1082 CB HIS A 70 1.899 10.706 -9.219 1.00 0.00 C ATOM 1083 CG HIS A 70 1.266 11.657 -10.206 1.00 0.00 C ATOM 1084 ND1 HIS A 70 1.110 13.008 -9.950 1.00 0.00 N ATOM 1085 CD2 HIS A 70 0.751 11.439 -11.450 1.00 0.00 C ATOM 1086 CE1 HIS A 70 0.527 13.568 -11.000 1.00 0.00 C ATOM 1087 NE2 HIS A 70 0.304 12.594 -11.928 1.00 0.00 N ATOM 0 H HIS A 70 2.685 9.371 -7.290 1.00 0.00 H new ATOM 0 HA HIS A 70 0.602 11.208 -7.629 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.789 11.175 -8.798 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.230 9.814 -9.751 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.713 10.488 -11.960 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.273 14.613 -11.103 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.134 12.730 -12.839 1.00 0.00 H new ATOM 1095 N ASN A 71 0.001 8.211 -8.825 1.00 0.00 N ATOM 1096 CA ASN A 71 -1.057 7.331 -9.292 1.00 0.00 C ATOM 1097 C ASN A 71 -2.197 7.325 -8.272 1.00 0.00 C ATOM 1098 O ASN A 71 -3.354 7.114 -8.630 1.00 0.00 O ATOM 1099 CB ASN A 71 -0.552 5.895 -9.445 1.00 0.00 C ATOM 1100 CG ASN A 71 -0.273 5.565 -10.912 1.00 0.00 C ATOM 1101 OD1 ASN A 71 -0.812 4.628 -11.478 1.00 0.00 O ATOM 1102 ND2 ASN A 71 0.597 6.385 -11.495 1.00 0.00 N ATOM 0 H ASN A 71 0.913 7.766 -8.726 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.398 7.698 -10.260 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.357 5.761 -8.859 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.292 5.201 -9.047 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.849 6.248 -12.474 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.012 7.150 -10.963 1.00 0.00 H new ATOM 1109 N ASN A 72 -1.830 7.560 -7.020 1.00 0.00 N ATOM 1110 CA ASN A 72 -2.808 7.585 -5.946 1.00 0.00 C ATOM 1111 C ASN A 72 -3.404 8.989 -5.836 1.00 0.00 C ATOM 1112 O ASN A 72 -4.623 9.152 -5.834 1.00 0.00 O ATOM 1113 CB ASN A 72 -2.159 7.240 -4.603 1.00 0.00 C ATOM 1114 CG ASN A 72 -1.981 5.728 -4.452 1.00 0.00 C ATOM 1115 OD1 ASN A 72 -2.917 4.989 -4.196 1.00 0.00 O ATOM 1116 ND2 ASN A 72 -0.730 5.311 -4.625 1.00 0.00 N ATOM 0 H ASN A 72 -0.869 7.735 -6.726 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.579 6.849 -6.175 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.190 7.733 -4.526 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.776 7.620 -3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.508 4.319 -4.545 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.007 5.983 -4.837 1.00 0.00 H new ATOM 1123 N LYS A 73 -2.516 9.969 -5.748 1.00 0.00 N ATOM 1124 CA LYS A 73 -2.939 11.355 -5.639 1.00 0.00 C ATOM 1125 C LYS A 73 -3.934 11.669 -6.757 1.00 0.00 C ATOM 1126 O LYS A 73 -3.784 11.189 -7.880 1.00 0.00 O ATOM 1127 CB LYS A 73 -1.725 12.286 -5.616 1.00 0.00 C ATOM 1128 CG LYS A 73 -2.148 13.743 -5.813 1.00 0.00 C ATOM 1129 CD LYS A 73 -0.941 14.625 -6.137 1.00 0.00 C ATOM 1130 CE LYS A 73 -0.356 15.243 -4.866 1.00 0.00 C ATOM 1131 NZ LYS A 73 -1.235 16.323 -4.363 1.00 0.00 N ATOM 0 H LYS A 73 -1.505 9.830 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.457 11.522 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.200 12.181 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.026 11.997 -6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.877 13.808 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.638 14.108 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.178 14.032 -6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.238 15.415 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.240 14.475 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.638 15.641 -5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.697 16.936 -3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.585 16.887 -5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.041 15.906 -3.854 1.00 0.00 H new ATOM 1145 N ASN A 74 -4.929 12.474 -6.412 1.00 0.00 N ATOM 1146 CA ASN A 74 -5.949 12.858 -7.373 1.00 0.00 C ATOM 1147 C ASN A 74 -6.727 11.615 -7.809 1.00 0.00 C ATOM 1148 O ASN A 74 -6.196 10.506 -7.785 1.00 0.00 O ATOM 1149 CB ASN A 74 -5.322 13.485 -8.620 1.00 0.00 C ATOM 1150 CG ASN A 74 -5.680 14.969 -8.727 1.00 0.00 C ATOM 1151 OD1 ASN A 74 -6.483 15.383 -9.546 1.00 0.00 O ATOM 1152 ND2 ASN A 74 -5.040 15.744 -7.855 1.00 0.00 N ATOM 0 H ASN A 74 -5.050 12.871 -5.480 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.606 13.585 -6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.239 13.370 -8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.668 12.959 -9.509 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.210 16.750 -7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.380 15.332 -7.196 1.00 0.00 H new ATOM 1159 N SER A 75 -7.973 11.842 -8.198 1.00 0.00 N ATOM 1160 CA SER A 75 -8.829 10.755 -8.639 1.00 0.00 C ATOM 1161 C SER A 75 -9.466 11.103 -9.986 1.00 0.00 C ATOM 1162 O SER A 75 -9.048 12.052 -10.647 1.00 0.00 O ATOM 1163 CB SER A 75 -9.913 10.452 -7.602 1.00 0.00 C ATOM 1164 OG SER A 75 -9.681 9.215 -6.933 1.00 0.00 O ATOM 0 H SER A 75 -8.410 12.763 -8.217 1.00 0.00 H new ATOM 0 HA SER A 75 -8.215 9.862 -8.755 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.950 11.259 -6.870 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.886 10.422 -8.093 1.00 0.00 H new ATOM 0 HG SER A 75 -10.393 9.059 -6.278 1.00 0.00 H new ATOM 1170 N GLY A 76 -10.467 10.316 -10.352 1.00 0.00 N ATOM 1171 CA GLY A 76 -11.165 10.529 -11.609 1.00 0.00 C ATOM 1172 C GLY A 76 -11.296 12.022 -11.917 1.00 0.00 C ATOM 1173 O GLY A 76 -11.281 12.851 -11.008 1.00 0.00 O ATOM 0 H GLY A 76 -10.811 9.530 -9.801 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.626 10.033 -12.417 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.155 10.076 -11.561 1.00 0.00 H new ATOM 1177 N PRO A 77 -11.426 12.328 -13.235 1.00 0.00 N ATOM 1178 CA PRO A 77 -11.560 13.706 -13.675 1.00 0.00 C ATOM 1179 C PRO A 77 -12.961 14.243 -13.377 1.00 0.00 C ATOM 1180 O PRO A 77 -13.834 14.225 -14.244 1.00 0.00 O ATOM 1181 CB PRO A 77 -11.237 13.679 -15.160 1.00 0.00 C ATOM 1182 CG PRO A 77 -11.390 12.230 -15.593 1.00 0.00 C ATOM 1183 CD PRO A 77 -11.448 11.372 -14.339 1.00 0.00 C ATOM 0 HA PRO A 77 -10.888 14.383 -13.148 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.912 14.327 -15.719 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.225 14.038 -15.346 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -12.296 12.102 -16.185 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.553 11.929 -16.223 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -12.352 10.763 -14.317 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -10.601 10.688 -14.288 1.00 0.00 H new ATOM 1191 N SER A 78 -13.133 14.708 -12.148 1.00 0.00 N ATOM 1192 CA SER A 78 -14.414 15.249 -11.725 1.00 0.00 C ATOM 1193 C SER A 78 -14.207 16.587 -11.013 1.00 0.00 C ATOM 1194 O SER A 78 -14.626 17.631 -11.512 1.00 0.00 O ATOM 1195 CB SER A 78 -15.151 14.269 -10.810 1.00 0.00 C ATOM 1196 OG SER A 78 -16.274 14.873 -10.175 1.00 0.00 O ATOM 0 H SER A 78 -12.407 14.721 -11.432 1.00 0.00 H new ATOM 0 HA SER A 78 -15.028 15.407 -12.612 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.483 13.409 -11.392 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.464 13.894 -10.051 1.00 0.00 H new ATOM 0 HG SER A 78 -16.719 14.215 -9.601 1.00 0.00 H new ATOM 1202 N SER A 79 -13.562 16.513 -9.859 1.00 0.00 N ATOM 1203 CA SER A 79 -13.295 17.706 -9.074 1.00 0.00 C ATOM 1204 C SER A 79 -11.842 18.146 -9.268 1.00 0.00 C ATOM 1205 O SER A 79 -10.974 17.324 -9.555 1.00 0.00 O ATOM 1206 CB SER A 79 -13.582 17.465 -7.590 1.00 0.00 C ATOM 1207 OG SER A 79 -14.969 17.248 -7.344 1.00 0.00 O ATOM 0 H SER A 79 -13.216 15.646 -9.448 1.00 0.00 H new ATOM 0 HA SER A 79 -13.958 18.499 -9.421 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.013 16.601 -7.246 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.241 18.323 -7.011 1.00 0.00 H new ATOM 0 HG SER A 79 -15.112 17.096 -6.386 1.00 0.00 H new ATOM 1213 N GLY A 80 -11.623 19.442 -9.103 1.00 0.00 N ATOM 1214 CA GLY A 80 -10.290 20.001 -9.257 1.00 0.00 C ATOM 1215 C GLY A 80 -9.994 20.317 -10.724 1.00 0.00 C ATOM 1216 O GLY A 80 -8.869 20.137 -11.186 1.00 0.00 O ATOM 0 H GLY A 80 -12.346 20.121 -8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.202 20.909 -8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.550 19.297 -8.877 1.00 0.00 H new TER 1220 GLY A 80