USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 14 HIS HD1 : A 14 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.073 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 30:sc= 1.17 USER MOD Single : A 5 SER OG : rot -56:sc= 0.0127 USER MOD Single : A 6 SER OG : rot -59:sc= 0.0118 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 10 MET CE :methyl 142:sc= -6.77! (180deg=-7.56!) USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0153) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 0.0375 (180deg=0.0239) USER MOD Single : A 20 ASN : amide:sc= -0.0965 K(o=-0.096,f=-1.3!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -137:sc= -0.715 USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00419 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 134:sc= -1.93 (180deg=-6.02!) USER MOD Single : A 35 LYS NZ :NH3+ -140:sc= 0.477 (180deg=-1.59!) USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= -1.62! (180deg=-2.14!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 121:sc= 0.03 USER MOD Single : A 53 GLN : amide:sc=-0.000557 X(o=-0.00056,f=-0.00072) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00571) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.210 -12.107 1.396 1.00 0.00 N ATOM 2 CA GLY A 1 31.704 -10.824 0.944 1.00 0.00 C ATOM 3 C GLY A 1 30.577 -10.306 1.816 1.00 0.00 C ATOM 4 O GLY A 1 30.259 -10.897 2.848 1.00 0.00 O ATOM 0 H1 GLY A 1 33.241 -12.050 1.517 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.768 -12.354 2.304 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.984 -12.837 0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.517 -10.098 0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.351 -10.917 -0.083 1.00 0.00 H new ATOM 8 N SER A 2 29.971 -9.198 1.400 1.00 0.00 N ATOM 9 CA SER A 2 28.876 -8.598 2.153 1.00 0.00 C ATOM 10 C SER A 2 27.640 -8.430 1.275 1.00 0.00 C ATOM 11 O SER A 2 27.705 -7.833 0.200 1.00 0.00 O ATOM 12 CB SER A 2 29.302 -7.241 2.718 1.00 0.00 C ATOM 13 OG SER A 2 30.003 -7.395 3.940 1.00 0.00 O ATOM 0 H SER A 2 30.220 -8.698 0.546 1.00 0.00 H new ATOM 0 HA SER A 2 28.626 -9.266 2.978 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.934 -6.725 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 2 28.422 -6.617 2.876 1.00 0.00 H new ATOM 0 HG SER A 2 30.266 -6.514 4.280 1.00 0.00 H new ATOM 19 N SER A 3 26.515 -8.962 1.740 1.00 0.00 N ATOM 20 CA SER A 3 25.263 -8.876 0.996 1.00 0.00 C ATOM 21 C SER A 3 24.073 -9.192 1.896 1.00 0.00 C ATOM 22 O SER A 3 23.932 -10.311 2.388 1.00 0.00 O ATOM 23 CB SER A 3 25.286 -9.836 -0.195 1.00 0.00 C ATOM 24 OG SER A 3 25.944 -9.254 -1.307 1.00 0.00 O ATOM 0 H SER A 3 26.444 -9.457 2.629 1.00 0.00 H new ATOM 0 HA SER A 3 25.157 -7.855 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.791 -10.759 0.088 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.266 -10.103 -0.471 1.00 0.00 H new ATOM 0 HG SER A 3 26.629 -8.628 -0.991 1.00 0.00 H new ATOM 30 N GLY A 4 23.217 -8.197 2.108 1.00 0.00 N ATOM 31 CA GLY A 4 22.050 -8.388 2.948 1.00 0.00 C ATOM 32 C GLY A 4 20.774 -7.909 2.285 1.00 0.00 C ATOM 33 O GLY A 4 20.815 -7.133 1.331 1.00 0.00 O ATOM 0 H GLY A 4 23.311 -7.262 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.953 -9.445 3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.191 -7.853 3.887 1.00 0.00 H new ATOM 37 N SER A 5 19.636 -8.375 2.790 1.00 0.00 N ATOM 38 CA SER A 5 18.341 -7.994 2.237 1.00 0.00 C ATOM 39 C SER A 5 18.175 -8.537 0.821 1.00 0.00 C ATOM 40 O SER A 5 17.803 -7.805 -0.096 1.00 0.00 O ATOM 41 CB SER A 5 18.193 -6.471 2.232 1.00 0.00 C ATOM 42 OG SER A 5 16.834 -6.091 2.108 1.00 0.00 O ATOM 0 H SER A 5 19.584 -9.017 3.581 1.00 0.00 H new ATOM 0 HA SER A 5 17.563 -8.425 2.867 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.606 -6.059 3.153 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.768 -6.049 1.408 1.00 0.00 H new ATOM 0 HG SER A 5 16.455 -6.491 1.298 1.00 0.00 H new ATOM 48 N SER A 6 18.454 -9.825 0.652 1.00 0.00 N ATOM 49 CA SER A 6 18.339 -10.467 -0.653 1.00 0.00 C ATOM 50 C SER A 6 16.885 -10.807 -0.965 1.00 0.00 C ATOM 51 O SER A 6 16.576 -11.909 -1.417 1.00 0.00 O ATOM 52 CB SER A 6 19.192 -11.736 -0.697 1.00 0.00 C ATOM 53 OG SER A 6 19.460 -12.124 -2.033 1.00 0.00 O ATOM 0 H SER A 6 18.761 -10.445 1.402 1.00 0.00 H new ATOM 0 HA SER A 6 18.700 -9.768 -1.407 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.130 -11.566 -0.169 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.676 -12.543 -0.177 1.00 0.00 H new ATOM 0 HG SER A 6 18.615 -12.283 -2.503 1.00 0.00 H new ATOM 59 N GLY A 7 15.994 -9.851 -0.719 1.00 0.00 N ATOM 60 CA GLY A 7 14.583 -10.067 -0.980 1.00 0.00 C ATOM 61 C GLY A 7 13.836 -8.774 -1.240 1.00 0.00 C ATOM 62 O GLY A 7 14.120 -8.069 -2.209 1.00 0.00 O ATOM 0 H GLY A 7 16.224 -8.931 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.473 -10.726 -1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.133 -10.578 -0.128 1.00 0.00 H new ATOM 66 N HIS A 8 12.877 -8.461 -0.375 1.00 0.00 N ATOM 67 CA HIS A 8 12.087 -7.243 -0.517 1.00 0.00 C ATOM 68 C HIS A 8 12.799 -6.055 0.123 1.00 0.00 C ATOM 69 O HIS A 8 13.427 -6.170 1.175 1.00 0.00 O ATOM 70 CB HIS A 8 10.708 -7.428 0.118 1.00 0.00 C ATOM 71 CG HIS A 8 9.979 -8.639 -0.377 1.00 0.00 C ATOM 72 ND1 HIS A 8 10.103 -9.883 0.205 1.00 0.00 N ATOM 73 CD2 HIS A 8 9.111 -8.791 -1.405 1.00 0.00 C ATOM 74 CE1 HIS A 8 9.345 -10.748 -0.444 1.00 0.00 C ATOM 75 NE2 HIS A 8 8.732 -10.111 -1.426 1.00 0.00 N ATOM 0 H HIS A 8 12.628 -9.034 0.432 1.00 0.00 H new ATOM 0 HA HIS A 8 11.965 -7.041 -1.581 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.822 -7.499 1.200 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.103 -6.543 -0.081 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.779 -8.018 -2.082 1.00 0.00 H new ATOM 0 HE1 HIS A 8 9.243 -11.798 -0.212 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.083 -10.531 -2.091 1.00 0.00 H new ATOM 83 N PRO A 9 12.700 -4.886 -0.527 1.00 0.00 N ATOM 84 CA PRO A 9 13.329 -3.654 -0.040 1.00 0.00 C ATOM 85 C PRO A 9 12.659 -3.121 1.222 1.00 0.00 C ATOM 86 O PRO A 9 11.694 -3.703 1.716 1.00 0.00 O ATOM 87 CB PRO A 9 13.138 -2.675 -1.201 1.00 0.00 C ATOM 88 CG PRO A 9 11.939 -3.179 -1.928 1.00 0.00 C ATOM 89 CD PRO A 9 11.968 -4.676 -1.787 1.00 0.00 C ATOM 0 HA PRO A 9 14.372 -3.810 0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.984 -1.658 -0.840 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.014 -2.654 -1.849 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.024 -2.765 -1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.967 -2.885 -2.977 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.963 -5.095 -1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.473 -5.149 -2.629 1.00 0.00 H new ATOM 97 N MET A 10 13.177 -2.011 1.737 1.00 0.00 N ATOM 98 CA MET A 10 12.626 -1.399 2.941 1.00 0.00 C ATOM 99 C MET A 10 12.308 0.074 2.706 1.00 0.00 C ATOM 100 O MET A 10 12.981 0.747 1.924 1.00 0.00 O ATOM 101 CB MET A 10 13.609 -1.541 4.106 1.00 0.00 C ATOM 102 CG MET A 10 14.647 -0.433 4.163 1.00 0.00 C ATOM 103 SD MET A 10 15.554 -0.411 5.721 1.00 0.00 S ATOM 104 CE MET A 10 14.242 -0.009 6.872 1.00 0.00 C ATOM 0 H MET A 10 13.976 -1.517 1.340 1.00 0.00 H new ATOM 0 HA MET A 10 11.700 -1.917 3.190 1.00 0.00 H new ATOM 0 HB2 MET A 10 13.051 -1.553 5.042 1.00 0.00 H new ATOM 0 HB3 MET A 10 14.118 -2.501 4.026 1.00 0.00 H new ATOM 0 HG2 MET A 10 15.350 -0.556 3.339 1.00 0.00 H new ATOM 0 HG3 MET A 10 14.154 0.529 4.020 1.00 0.00 H new ATOM 0 HE1 MET A 10 14.385 -0.568 7.796 1.00 0.00 H new ATOM 0 HE2 MET A 10 14.262 1.059 7.088 1.00 0.00 H new ATOM 0 HE3 MET A 10 13.280 -0.273 6.433 1.00 0.00 H new ATOM 114 N CYS A 11 11.279 0.569 3.385 1.00 0.00 N ATOM 115 CA CYS A 11 10.871 1.961 3.250 1.00 0.00 C ATOM 116 C CYS A 11 12.083 2.889 3.280 1.00 0.00 C ATOM 117 O CYS A 11 12.710 3.076 4.323 1.00 0.00 O ATOM 118 CB CYS A 11 9.897 2.340 4.367 1.00 0.00 C ATOM 119 SG CYS A 11 9.000 3.899 4.075 1.00 0.00 S ATOM 0 H CYS A 11 10.712 0.025 4.035 1.00 0.00 H new ATOM 0 HA CYS A 11 10.372 2.075 2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.173 1.535 4.492 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.449 2.421 5.304 1.00 0.00 H new ATOM 124 N LYS A 12 12.407 3.468 2.129 1.00 0.00 N ATOM 125 CA LYS A 12 13.542 4.377 2.022 1.00 0.00 C ATOM 126 C LYS A 12 13.396 5.545 2.992 1.00 0.00 C ATOM 127 O LYS A 12 14.385 6.045 3.527 1.00 0.00 O ATOM 128 CB LYS A 12 13.667 4.902 0.590 1.00 0.00 C ATOM 129 CG LYS A 12 12.446 5.669 0.114 1.00 0.00 C ATOM 130 CD LYS A 12 12.814 6.716 -0.924 1.00 0.00 C ATOM 131 CE LYS A 12 12.753 6.149 -2.334 1.00 0.00 C ATOM 132 NZ LYS A 12 11.352 6.023 -2.821 1.00 0.00 N ATOM 0 H LYS A 12 11.899 3.324 1.256 1.00 0.00 H new ATOM 0 HA LYS A 12 14.445 3.824 2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.541 5.550 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.842 4.062 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.721 4.974 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.964 6.152 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.135 7.565 -0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.818 7.090 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.316 6.794 -3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.233 5.171 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.290 5.238 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.720 5.835 -2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.066 6.908 -3.287 1.00 0.00 H new ATOM 146 N GLU A 13 12.158 5.974 3.214 1.00 0.00 N ATOM 147 CA GLU A 13 11.885 7.083 4.121 1.00 0.00 C ATOM 148 C GLU A 13 12.341 6.751 5.539 1.00 0.00 C ATOM 149 O GLU A 13 12.967 7.573 6.210 1.00 0.00 O ATOM 150 CB GLU A 13 10.392 7.417 4.119 1.00 0.00 C ATOM 151 CG GLU A 13 10.000 8.448 3.074 1.00 0.00 C ATOM 152 CD GLU A 13 10.886 9.678 3.107 1.00 0.00 C ATOM 153 OE1 GLU A 13 10.722 10.501 4.032 1.00 0.00 O ATOM 154 OE2 GLU A 13 11.742 9.818 2.209 1.00 0.00 O ATOM 0 H GLU A 13 11.328 5.571 2.779 1.00 0.00 H new ATOM 0 HA GLU A 13 12.445 7.951 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.824 6.503 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.110 7.786 5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.051 7.994 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.964 8.747 3.234 1.00 0.00 H new ATOM 161 N HIS A 14 12.024 5.541 5.989 1.00 0.00 N ATOM 162 CA HIS A 14 12.401 5.100 7.327 1.00 0.00 C ATOM 163 C HIS A 14 13.532 4.078 7.263 1.00 0.00 C ATOM 164 O HIS A 14 13.314 2.918 6.916 1.00 0.00 O ATOM 165 CB HIS A 14 11.194 4.498 8.047 1.00 0.00 C ATOM 166 CG HIS A 14 10.147 5.507 8.408 1.00 0.00 C ATOM 167 ND1 HIS A 14 9.149 5.898 7.541 1.00 0.00 N ATOM 168 CD2 HIS A 14 9.946 6.203 9.551 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.380 6.794 8.134 1.00 0.00 C ATOM 170 NE2 HIS A 14 8.842 6.996 9.355 1.00 0.00 N ATOM 0 H HIS A 14 11.507 4.849 5.447 1.00 0.00 H new ATOM 0 HA HIS A 14 12.751 5.969 7.885 1.00 0.00 H new ATOM 0 HB2 HIS A 14 10.746 3.734 7.412 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.534 3.999 8.954 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.542 6.146 10.450 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.520 7.279 7.695 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.443 7.637 10.041 1.00 0.00 H new ATOM 178 N GLU A 15 14.740 4.518 7.601 1.00 0.00 N ATOM 179 CA GLU A 15 15.905 3.642 7.580 1.00 0.00 C ATOM 180 C GLU A 15 15.739 2.492 8.569 1.00 0.00 C ATOM 181 O GLU A 15 16.193 1.375 8.322 1.00 0.00 O ATOM 182 CB GLU A 15 17.173 4.433 7.910 1.00 0.00 C ATOM 183 CG GLU A 15 17.170 5.034 9.305 1.00 0.00 C ATOM 184 CD GLU A 15 16.288 6.263 9.409 1.00 0.00 C ATOM 185 OE1 GLU A 15 16.769 7.368 9.083 1.00 0.00 O ATOM 186 OE2 GLU A 15 15.116 6.119 9.817 1.00 0.00 O ATOM 0 H GLU A 15 14.937 5.475 7.892 1.00 0.00 H new ATOM 0 HA GLU A 15 15.996 3.226 6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.037 3.777 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.293 5.233 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.828 4.284 10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.190 5.299 9.585 1.00 0.00 H new ATOM 193 N ASP A 16 15.085 2.774 9.691 1.00 0.00 N ATOM 194 CA ASP A 16 14.857 1.765 10.718 1.00 0.00 C ATOM 195 C ASP A 16 13.588 0.971 10.427 1.00 0.00 C ATOM 196 O ASP A 16 13.649 -0.202 10.058 1.00 0.00 O ATOM 197 CB ASP A 16 14.758 2.422 12.096 1.00 0.00 C ATOM 198 CG ASP A 16 14.865 1.417 13.226 1.00 0.00 C ATOM 199 OD1 ASP A 16 15.827 0.620 13.222 1.00 0.00 O ATOM 200 OD2 ASP A 16 13.988 1.427 14.114 1.00 0.00 O ATOM 0 H ASP A 16 14.703 3.694 9.912 1.00 0.00 H new ATOM 0 HA ASP A 16 15.703 1.078 10.712 1.00 0.00 H new ATOM 0 HB2 ASP A 16 15.549 3.165 12.199 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.809 2.953 12.175 1.00 0.00 H new ATOM 205 N GLU A 17 12.439 1.617 10.598 1.00 0.00 N ATOM 206 CA GLU A 17 11.155 0.970 10.355 1.00 0.00 C ATOM 207 C GLU A 17 11.105 0.368 8.954 1.00 0.00 C ATOM 208 O GLU A 17 11.266 1.073 7.957 1.00 0.00 O ATOM 209 CB GLU A 17 10.012 1.971 10.533 1.00 0.00 C ATOM 210 CG GLU A 17 9.834 2.443 11.967 1.00 0.00 C ATOM 211 CD GLU A 17 10.992 3.295 12.448 1.00 0.00 C ATOM 212 OE1 GLU A 17 11.381 4.232 11.719 1.00 0.00 O ATOM 213 OE2 GLU A 17 11.509 3.026 13.552 1.00 0.00 O ATOM 0 H GLU A 17 12.371 2.588 10.904 1.00 0.00 H new ATOM 0 HA GLU A 17 11.040 0.166 11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.195 2.836 9.895 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.083 1.514 10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.910 3.015 12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.729 1.577 12.620 1.00 0.00 H new ATOM 220 N LYS A 18 10.882 -0.940 8.885 1.00 0.00 N ATOM 221 CA LYS A 18 10.809 -1.638 7.607 1.00 0.00 C ATOM 222 C LYS A 18 9.364 -1.765 7.138 1.00 0.00 C ATOM 223 O LYS A 18 8.437 -1.341 7.829 1.00 0.00 O ATOM 224 CB LYS A 18 11.443 -3.026 7.725 1.00 0.00 C ATOM 225 CG LYS A 18 12.946 -2.993 7.938 1.00 0.00 C ATOM 226 CD LYS A 18 13.434 -4.232 8.669 1.00 0.00 C ATOM 227 CE LYS A 18 13.075 -4.184 10.147 1.00 0.00 C ATOM 228 NZ LYS A 18 14.061 -3.391 10.931 1.00 0.00 N ATOM 0 H LYS A 18 10.749 -1.539 9.700 1.00 0.00 H new ATOM 0 HA LYS A 18 11.361 -1.054 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.979 -3.559 8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.225 -3.594 6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.449 -2.917 6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.214 -2.104 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.995 -5.120 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.515 -4.319 8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.083 -3.749 10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.028 -5.199 10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.881 -3.520 11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.024 -3.714 10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.968 -2.384 10.688 1.00 0.00 H new ATOM 242 N ILE A 19 9.179 -2.352 5.960 1.00 0.00 N ATOM 243 CA ILE A 19 7.845 -2.537 5.400 1.00 0.00 C ATOM 244 C ILE A 19 7.024 -3.505 6.245 1.00 0.00 C ATOM 245 O ILE A 19 7.278 -4.709 6.251 1.00 0.00 O ATOM 246 CB ILE A 19 7.910 -3.063 3.954 1.00 0.00 C ATOM 247 CG1 ILE A 19 8.829 -2.179 3.108 1.00 0.00 C ATOM 248 CG2 ILE A 19 6.515 -3.119 3.349 1.00 0.00 C ATOM 249 CD1 ILE A 19 8.286 -0.785 2.881 1.00 0.00 C ATOM 0 H ILE A 19 9.935 -2.707 5.375 1.00 0.00 H new ATOM 0 HA ILE A 19 7.363 -1.559 5.401 1.00 0.00 H new ATOM 0 HB ILE A 19 8.320 -4.073 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.801 -2.107 3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.993 -2.658 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.576 -3.493 2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.888 -3.785 3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.080 -2.120 3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.989 -0.215 2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.328 -0.847 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.149 -0.287 3.841 1.00 0.00 H new ATOM 261 N ASN A 20 6.037 -2.971 6.957 1.00 0.00 N ATOM 262 CA ASN A 20 5.177 -3.788 7.805 1.00 0.00 C ATOM 263 C ASN A 20 3.858 -4.099 7.103 1.00 0.00 C ATOM 264 O ASN A 20 3.327 -5.204 7.219 1.00 0.00 O ATOM 265 CB ASN A 20 4.906 -3.074 9.131 1.00 0.00 C ATOM 266 CG ASN A 20 5.995 -3.325 10.156 1.00 0.00 C ATOM 267 OD1 ASN A 20 6.587 -4.404 10.198 1.00 0.00 O ATOM 268 ND2 ASN A 20 6.265 -2.326 10.989 1.00 0.00 N ATOM 0 H ASN A 20 5.813 -1.976 6.964 1.00 0.00 H new ATOM 0 HA ASN A 20 5.692 -4.727 8.005 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.819 -2.002 8.952 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.949 -3.409 9.532 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.988 -2.436 11.700 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.749 -1.449 10.918 1.00 0.00 H new ATOM 275 N ILE A 21 3.336 -3.118 6.375 1.00 0.00 N ATOM 276 CA ILE A 21 2.082 -3.287 5.653 1.00 0.00 C ATOM 277 C ILE A 21 2.230 -2.885 4.190 1.00 0.00 C ATOM 278 O ILE A 21 3.266 -2.359 3.782 1.00 0.00 O ATOM 279 CB ILE A 21 0.950 -2.458 6.289 1.00 0.00 C ATOM 280 CG1 ILE A 21 1.329 -0.977 6.320 1.00 0.00 C ATOM 281 CG2 ILE A 21 0.648 -2.963 7.692 1.00 0.00 C ATOM 282 CD1 ILE A 21 0.208 -0.076 6.790 1.00 0.00 C ATOM 0 H ILE A 21 3.763 -2.197 6.270 1.00 0.00 H new ATOM 0 HA ILE A 21 1.825 -4.345 5.712 1.00 0.00 H new ATOM 0 HB ILE A 21 0.052 -2.571 5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.190 -0.844 6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.638 -0.668 5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.154 -2.367 8.128 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.340 -4.007 7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.542 -2.877 8.310 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.548 0.960 6.787 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.647 -0.180 6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.086 -0.358 7.801 1.00 0.00 H new ATOM 294 N TYR A 22 1.188 -3.133 3.405 1.00 0.00 N ATOM 295 CA TYR A 22 1.203 -2.798 1.986 1.00 0.00 C ATOM 296 C TYR A 22 0.034 -1.883 1.630 1.00 0.00 C ATOM 297 O TYR A 22 -1.108 -2.138 2.013 1.00 0.00 O ATOM 298 CB TYR A 22 1.144 -4.070 1.139 1.00 0.00 C ATOM 299 CG TYR A 22 0.752 -3.822 -0.300 1.00 0.00 C ATOM 300 CD1 TYR A 22 1.703 -3.468 -1.249 1.00 0.00 C ATOM 301 CD2 TYR A 22 -0.570 -3.943 -0.711 1.00 0.00 C ATOM 302 CE1 TYR A 22 1.349 -3.239 -2.565 1.00 0.00 C ATOM 303 CE2 TYR A 22 -0.933 -3.718 -2.025 1.00 0.00 C ATOM 304 CZ TYR A 22 0.030 -3.366 -2.948 1.00 0.00 C ATOM 305 OH TYR A 22 -0.327 -3.140 -4.258 1.00 0.00 O ATOM 0 H TYR A 22 0.322 -3.565 3.727 1.00 0.00 H new ATOM 0 HA TYR A 22 2.133 -2.270 1.773 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.119 -4.557 1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.431 -4.762 1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.737 -3.370 -0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.327 -4.218 0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.101 -2.962 -3.289 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.965 -3.817 -2.328 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.293 -3.272 -4.361 1.00 0.00 H new ATOM 315 N CYS A 23 0.330 -0.816 0.895 1.00 0.00 N ATOM 316 CA CYS A 23 -0.694 0.138 0.486 1.00 0.00 C ATOM 317 C CYS A 23 -1.433 -0.355 -0.754 1.00 0.00 C ATOM 318 O CYS A 23 -0.846 -0.995 -1.627 1.00 0.00 O ATOM 319 CB CYS A 23 -0.064 1.505 0.209 1.00 0.00 C ATOM 320 SG CYS A 23 -1.260 2.879 0.163 1.00 0.00 S ATOM 0 H CYS A 23 1.270 -0.590 0.571 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.412 0.234 1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.682 1.712 0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.463 1.464 -0.744 1.00 0.00 H new ATOM 325 N LEU A 24 -2.725 -0.052 -0.825 1.00 0.00 N ATOM 326 CA LEU A 24 -3.546 -0.464 -1.959 1.00 0.00 C ATOM 327 C LEU A 24 -3.799 0.708 -2.901 1.00 0.00 C ATOM 328 O LEU A 24 -3.386 0.688 -4.061 1.00 0.00 O ATOM 329 CB LEU A 24 -4.877 -1.036 -1.468 1.00 0.00 C ATOM 330 CG LEU A 24 -4.810 -2.406 -0.791 1.00 0.00 C ATOM 331 CD1 LEU A 24 -3.483 -2.580 -0.069 1.00 0.00 C ATOM 332 CD2 LEU A 24 -5.972 -2.580 0.175 1.00 0.00 C ATOM 0 H LEU A 24 -3.226 0.477 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.006 -1.236 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.317 -0.327 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.555 -1.106 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.885 -3.175 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.453 -3.560 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.666 -2.499 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.378 -1.805 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.909 -3.560 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.928 -1.805 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.913 -2.500 -0.369 1.00 0.00 H new ATOM 344 N THR A 25 -4.481 1.732 -2.395 1.00 0.00 N ATOM 345 CA THR A 25 -4.789 2.913 -3.191 1.00 0.00 C ATOM 346 C THR A 25 -3.714 3.163 -4.242 1.00 0.00 C ATOM 347 O THR A 25 -3.951 2.996 -5.439 1.00 0.00 O ATOM 348 CB THR A 25 -4.927 4.166 -2.306 1.00 0.00 C ATOM 349 OG1 THR A 25 -6.068 4.038 -1.450 1.00 0.00 O ATOM 350 CG2 THR A 25 -5.064 5.418 -3.158 1.00 0.00 C ATOM 0 H THR A 25 -4.830 1.766 -1.437 1.00 0.00 H new ATOM 0 HA THR A 25 -5.740 2.721 -3.687 1.00 0.00 H new ATOM 0 HB THR A 25 -4.026 4.256 -1.699 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.557 4.887 -1.427 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.160 6.290 -2.511 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.181 5.529 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.950 5.334 -3.788 1.00 0.00 H new ATOM 358 N CYS A 26 -2.532 3.565 -3.789 1.00 0.00 N ATOM 359 CA CYS A 26 -1.419 3.838 -4.690 1.00 0.00 C ATOM 360 C CYS A 26 -0.770 2.540 -5.162 1.00 0.00 C ATOM 361 O CYS A 26 -0.064 2.519 -6.170 1.00 0.00 O ATOM 362 CB CYS A 26 -0.378 4.719 -3.997 1.00 0.00 C ATOM 363 SG CYS A 26 0.208 4.063 -2.402 1.00 0.00 S ATOM 0 H CYS A 26 -2.320 3.709 -2.802 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.810 4.366 -5.560 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.476 4.845 -4.662 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.805 5.709 -3.836 1.00 0.00 H new ATOM 368 N GLU A 27 -1.014 1.461 -4.425 1.00 0.00 N ATOM 369 CA GLU A 27 -0.452 0.160 -4.768 1.00 0.00 C ATOM 370 C GLU A 27 1.064 0.157 -4.591 1.00 0.00 C ATOM 371 O GLU A 27 1.808 -0.174 -5.514 1.00 0.00 O ATOM 372 CB GLU A 27 -0.808 -0.210 -6.210 1.00 0.00 C ATOM 373 CG GLU A 27 -2.297 -0.144 -6.505 1.00 0.00 C ATOM 374 CD GLU A 27 -2.661 -0.799 -7.823 1.00 0.00 C ATOM 375 OE1 GLU A 27 -2.005 -0.491 -8.840 1.00 0.00 O ATOM 376 OE2 GLU A 27 -3.601 -1.621 -7.837 1.00 0.00 O ATOM 0 H GLU A 27 -1.596 1.462 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.881 -0.581 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.282 0.461 -6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.450 -1.218 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.845 -0.631 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.614 0.899 -6.522 1.00 0.00 H new ATOM 383 N VAL A 28 1.514 0.530 -3.397 1.00 0.00 N ATOM 384 CA VAL A 28 2.941 0.571 -3.097 1.00 0.00 C ATOM 385 C VAL A 28 3.225 0.024 -1.703 1.00 0.00 C ATOM 386 O VAL A 28 2.640 0.454 -0.709 1.00 0.00 O ATOM 387 CB VAL A 28 3.494 2.005 -3.197 1.00 0.00 C ATOM 388 CG1 VAL A 28 3.077 2.649 -4.510 1.00 0.00 C ATOM 389 CG2 VAL A 28 3.027 2.839 -2.013 1.00 0.00 C ATOM 0 H VAL A 28 0.912 0.808 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 28 3.439 -0.055 -3.838 1.00 0.00 H new ATOM 0 HB VAL A 28 4.583 1.958 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.477 3.662 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.465 2.062 -5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.989 2.685 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.427 3.849 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.938 2.879 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.381 2.387 -1.087 1.00 0.00 H new ATOM 399 N PRO A 29 4.145 -0.949 -1.626 1.00 0.00 N ATOM 400 CA PRO A 29 4.529 -1.576 -0.358 1.00 0.00 C ATOM 401 C PRO A 29 5.313 -0.628 0.544 1.00 0.00 C ATOM 402 O PRO A 29 6.542 -0.575 0.488 1.00 0.00 O ATOM 403 CB PRO A 29 5.410 -2.749 -0.795 1.00 0.00 C ATOM 404 CG PRO A 29 5.954 -2.341 -2.120 1.00 0.00 C ATOM 405 CD PRO A 29 4.882 -1.511 -2.770 1.00 0.00 C ATOM 0 HA PRO A 29 3.660 -1.873 0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.210 -2.932 -0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.833 -3.671 -0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.874 -1.769 -2.004 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.195 -3.213 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.306 -0.728 -3.399 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.236 -2.116 -3.406 1.00 0.00 H new ATOM 413 N THR A 30 4.594 0.119 1.376 1.00 0.00 N ATOM 414 CA THR A 30 5.222 1.066 2.289 1.00 0.00 C ATOM 415 C THR A 30 5.002 0.657 3.741 1.00 0.00 C ATOM 416 O THR A 30 4.026 -0.019 4.066 1.00 0.00 O ATOM 417 CB THR A 30 4.679 2.492 2.081 1.00 0.00 C ATOM 418 OG1 THR A 30 5.381 3.411 2.925 1.00 0.00 O ATOM 419 CG2 THR A 30 3.190 2.553 2.384 1.00 0.00 C ATOM 0 H THR A 30 3.576 0.086 1.436 1.00 0.00 H new ATOM 0 HA THR A 30 6.290 1.057 2.069 1.00 0.00 H new ATOM 0 HB THR A 30 4.833 2.768 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.031 4.316 2.786 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.829 3.570 2.230 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.655 1.874 1.720 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.017 2.259 3.419 1.00 0.00 H new ATOM 427 N CYS A 31 5.916 1.072 4.613 1.00 0.00 N ATOM 428 CA CYS A 31 5.822 0.750 6.031 1.00 0.00 C ATOM 429 C CYS A 31 4.437 1.089 6.576 1.00 0.00 C ATOM 430 O CYS A 31 3.551 1.505 5.830 1.00 0.00 O ATOM 431 CB CYS A 31 6.892 1.508 6.820 1.00 0.00 C ATOM 432 SG CYS A 31 6.537 3.281 7.039 1.00 0.00 S ATOM 0 H CYS A 31 6.730 1.632 4.361 1.00 0.00 H new ATOM 0 HA CYS A 31 5.986 -0.321 6.146 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.000 1.046 7.801 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.849 1.400 6.310 1.00 0.00 H new ATOM 437 N SER A 32 4.260 0.908 7.881 1.00 0.00 N ATOM 438 CA SER A 32 2.983 1.191 8.525 1.00 0.00 C ATOM 439 C SER A 32 2.965 2.605 9.098 1.00 0.00 C ATOM 440 O SER A 32 1.902 3.170 9.351 1.00 0.00 O ATOM 441 CB SER A 32 2.712 0.175 9.636 1.00 0.00 C ATOM 442 OG SER A 32 1.338 0.150 9.981 1.00 0.00 O ATOM 0 H SER A 32 4.985 0.567 8.513 1.00 0.00 H new ATOM 0 HA SER A 32 2.199 1.113 7.772 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.026 -0.817 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.306 0.425 10.515 1.00 0.00 H new ATOM 0 HG SER A 32 1.191 -0.508 10.692 1.00 0.00 H new ATOM 448 N MET A 33 4.151 3.170 9.299 1.00 0.00 N ATOM 449 CA MET A 33 4.273 4.518 9.841 1.00 0.00 C ATOM 450 C MET A 33 3.744 5.552 8.851 1.00 0.00 C ATOM 451 O MET A 33 2.713 6.182 9.088 1.00 0.00 O ATOM 452 CB MET A 33 5.732 4.824 10.184 1.00 0.00 C ATOM 453 CG MET A 33 6.395 3.749 11.031 1.00 0.00 C ATOM 454 SD MET A 33 5.476 3.388 12.539 1.00 0.00 S ATOM 455 CE MET A 33 4.602 1.901 12.055 1.00 0.00 C ATOM 0 H MET A 33 5.041 2.715 9.095 1.00 0.00 H new ATOM 0 HA MET A 33 3.675 4.572 10.751 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.296 4.946 9.259 1.00 0.00 H new ATOM 0 HB3 MET A 33 5.780 5.775 10.715 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.492 2.837 10.442 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.404 4.069 11.293 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.684 1.157 12.847 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.551 2.136 11.885 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.038 1.505 11.138 1.00 0.00 H new ATOM 465 N CYS A 34 4.456 5.721 7.742 1.00 0.00 N ATOM 466 CA CYS A 34 4.060 6.678 6.717 1.00 0.00 C ATOM 467 C CYS A 34 2.545 6.678 6.529 1.00 0.00 C ATOM 468 O CYS A 34 1.963 7.669 6.088 1.00 0.00 O ATOM 469 CB CYS A 34 4.749 6.351 5.391 1.00 0.00 C ATOM 470 SG CYS A 34 6.539 6.690 5.379 1.00 0.00 S ATOM 0 H CYS A 34 5.311 5.207 7.530 1.00 0.00 H new ATOM 0 HA CYS A 34 4.368 7.671 7.044 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.588 5.298 5.160 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.276 6.927 4.596 1.00 0.00 H new ATOM 475 N LYS A 35 1.913 5.560 6.868 1.00 0.00 N ATOM 476 CA LYS A 35 0.466 5.429 6.739 1.00 0.00 C ATOM 477 C LYS A 35 -0.250 6.194 7.847 1.00 0.00 C ATOM 478 O LYS A 35 -1.011 7.124 7.582 1.00 0.00 O ATOM 479 CB LYS A 35 0.061 3.954 6.779 1.00 0.00 C ATOM 480 CG LYS A 35 -1.398 3.733 7.139 1.00 0.00 C ATOM 481 CD LYS A 35 -2.325 4.246 6.050 1.00 0.00 C ATOM 482 CE LYS A 35 -3.719 4.524 6.590 1.00 0.00 C ATOM 483 NZ LYS A 35 -4.510 5.384 5.668 1.00 0.00 N ATOM 0 H LYS A 35 2.380 4.731 7.235 1.00 0.00 H new ATOM 0 HA LYS A 35 0.172 5.854 5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.258 3.505 5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.688 3.433 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.577 2.670 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.623 4.239 8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.912 5.158 5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.385 3.512 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.243 3.581 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.641 5.010 7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.060 6.072 6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.866 5.890 5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.158 4.791 5.111 1.00 0.00 H new ATOM 497 N VAL A 36 0.000 5.797 9.091 1.00 0.00 N ATOM 498 CA VAL A 36 -0.619 6.447 10.240 1.00 0.00 C ATOM 499 C VAL A 36 -0.013 7.824 10.484 1.00 0.00 C ATOM 500 O VAL A 36 -0.727 8.787 10.768 1.00 0.00 O ATOM 501 CB VAL A 36 -0.465 5.597 11.516 1.00 0.00 C ATOM 502 CG1 VAL A 36 -1.455 4.442 11.510 1.00 0.00 C ATOM 503 CG2 VAL A 36 0.962 5.087 11.647 1.00 0.00 C ATOM 0 H VAL A 36 0.627 5.028 9.329 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.679 6.555 10.010 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.682 6.226 12.380 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.332 3.853 12.419 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.471 4.834 11.467 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.272 3.811 10.640 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.053 4.489 12.554 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.210 4.473 10.781 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.647 5.933 11.700 1.00 0.00 H new ATOM 513 N PHE A 37 1.308 7.912 10.372 1.00 0.00 N ATOM 514 CA PHE A 37 2.011 9.173 10.581 1.00 0.00 C ATOM 515 C PHE A 37 2.889 9.511 9.380 1.00 0.00 C ATOM 516 O PHE A 37 4.116 9.473 9.464 1.00 0.00 O ATOM 517 CB PHE A 37 2.865 9.101 11.848 1.00 0.00 C ATOM 518 CG PHE A 37 2.217 8.334 12.965 1.00 0.00 C ATOM 519 CD1 PHE A 37 1.026 8.770 13.523 1.00 0.00 C ATOM 520 CD2 PHE A 37 2.799 7.176 13.457 1.00 0.00 C ATOM 521 CE1 PHE A 37 0.429 8.067 14.551 1.00 0.00 C ATOM 522 CE2 PHE A 37 2.205 6.468 14.485 1.00 0.00 C ATOM 523 CZ PHE A 37 1.018 6.914 15.032 1.00 0.00 C ATOM 0 H PHE A 37 1.914 7.125 10.138 1.00 0.00 H new ATOM 0 HA PHE A 37 1.267 9.961 10.698 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.821 8.637 11.606 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.080 10.113 12.190 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.559 9.670 13.150 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.727 6.823 13.032 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.498 8.419 14.979 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.669 5.567 14.860 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.551 6.362 15.834 1.00 0.00 H new ATOM 533 N GLY A 38 2.251 9.843 8.261 1.00 0.00 N ATOM 534 CA GLY A 38 2.989 10.182 7.059 1.00 0.00 C ATOM 535 C GLY A 38 2.142 10.936 6.053 1.00 0.00 C ATOM 536 O GLY A 38 1.532 11.954 6.383 1.00 0.00 O ATOM 0 H GLY A 38 1.236 9.883 8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.855 10.787 7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.368 9.269 6.599 1.00 0.00 H new ATOM 540 N ILE A 39 2.106 10.438 4.821 1.00 0.00 N ATOM 541 CA ILE A 39 1.328 11.073 3.764 1.00 0.00 C ATOM 542 C ILE A 39 0.431 10.061 3.059 1.00 0.00 C ATOM 543 O ILE A 39 -0.197 10.371 2.046 1.00 0.00 O ATOM 544 CB ILE A 39 2.240 11.747 2.722 1.00 0.00 C ATOM 545 CG1 ILE A 39 2.972 10.690 1.893 1.00 0.00 C ATOM 546 CG2 ILE A 39 3.233 12.673 3.408 1.00 0.00 C ATOM 547 CD1 ILE A 39 4.269 10.224 2.518 1.00 0.00 C ATOM 0 H ILE A 39 2.606 9.598 4.531 1.00 0.00 H new ATOM 0 HA ILE A 39 0.710 11.834 4.240 1.00 0.00 H new ATOM 0 HB ILE A 39 1.622 12.343 2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.316 9.831 1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.180 11.096 0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.871 13.142 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.692 13.443 3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.849 12.098 4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.734 9.475 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.943 11.073 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.066 9.788 3.496 1.00 0.00 H new ATOM 559 N HIS A 40 0.372 8.850 3.603 1.00 0.00 N ATOM 560 CA HIS A 40 -0.451 7.792 3.028 1.00 0.00 C ATOM 561 C HIS A 40 -1.751 7.629 3.810 1.00 0.00 C ATOM 562 O HIS A 40 -2.275 6.523 3.940 1.00 0.00 O ATOM 563 CB HIS A 40 0.318 6.470 3.013 1.00 0.00 C ATOM 564 CG HIS A 40 1.374 6.404 1.953 1.00 0.00 C ATOM 565 ND1 HIS A 40 1.103 6.090 0.638 1.00 0.00 N ATOM 566 CD2 HIS A 40 2.709 6.617 2.020 1.00 0.00 C ATOM 567 CE1 HIS A 40 2.226 6.109 -0.057 1.00 0.00 C ATOM 568 NE2 HIS A 40 3.216 6.427 0.758 1.00 0.00 N ATOM 0 H HIS A 40 0.884 8.577 4.442 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.697 8.073 2.004 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.783 6.318 3.987 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.386 5.651 2.865 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.271 6.886 2.902 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.319 5.900 -1.112 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.197 6.517 0.493 1.00 0.00 H new ATOM 576 N LYS A 41 -2.265 8.738 4.331 1.00 0.00 N ATOM 577 CA LYS A 41 -3.503 8.719 5.101 1.00 0.00 C ATOM 578 C LYS A 41 -4.708 8.516 4.187 1.00 0.00 C ATOM 579 O LYS A 41 -5.657 7.817 4.543 1.00 0.00 O ATOM 580 CB LYS A 41 -3.660 10.024 5.885 1.00 0.00 C ATOM 581 CG LYS A 41 -2.753 10.115 7.100 1.00 0.00 C ATOM 582 CD LYS A 41 -1.423 10.763 6.756 1.00 0.00 C ATOM 583 CE LYS A 41 -1.502 12.280 6.844 1.00 0.00 C ATOM 584 NZ LYS A 41 -2.447 12.845 5.840 1.00 0.00 N ATOM 0 H LYS A 41 -1.843 9.662 4.234 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.454 7.885 5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.451 10.864 5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.697 10.122 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.248 10.691 7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.579 9.116 7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.653 10.398 7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.125 10.471 5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.820 12.570 7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.510 12.705 6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.313 13.874 5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.264 12.415 4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.425 12.640 6.130 1.00 0.00 H new ATOM 598 N ALA A 42 -4.662 9.129 3.009 1.00 0.00 N ATOM 599 CA ALA A 42 -5.748 9.011 2.044 1.00 0.00 C ATOM 600 C ALA A 42 -5.629 7.722 1.238 1.00 0.00 C ATOM 601 O ALA A 42 -5.989 7.679 0.061 1.00 0.00 O ATOM 602 CB ALA A 42 -5.763 10.217 1.116 1.00 0.00 C ATOM 0 H ALA A 42 -3.884 9.712 2.700 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.688 8.978 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.579 10.115 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.905 11.125 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.816 10.275 0.580 1.00 0.00 H new ATOM 608 N CYS A 43 -5.122 6.674 1.878 1.00 0.00 N ATOM 609 CA CYS A 43 -4.954 5.384 1.221 1.00 0.00 C ATOM 610 C CYS A 43 -5.604 4.269 2.036 1.00 0.00 C ATOM 611 O CYS A 43 -6.205 4.521 3.080 1.00 0.00 O ATOM 612 CB CYS A 43 -3.469 5.081 1.017 1.00 0.00 C ATOM 613 SG CYS A 43 -2.706 5.998 -0.360 1.00 0.00 S ATOM 0 H CYS A 43 -4.820 6.693 2.852 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.445 5.434 0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.932 5.314 1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.348 4.012 0.839 1.00 0.00 H new ATOM 618 N GLU A 44 -5.478 3.038 1.551 1.00 0.00 N ATOM 619 CA GLU A 44 -6.053 1.886 2.235 1.00 0.00 C ATOM 620 C GLU A 44 -5.029 0.762 2.363 1.00 0.00 C ATOM 621 O GLU A 44 -4.748 0.050 1.399 1.00 0.00 O ATOM 622 CB GLU A 44 -7.287 1.382 1.483 1.00 0.00 C ATOM 623 CG GLU A 44 -8.250 2.488 1.084 1.00 0.00 C ATOM 624 CD GLU A 44 -8.465 3.501 2.191 1.00 0.00 C ATOM 625 OE1 GLU A 44 -8.617 3.081 3.358 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.483 4.713 1.892 1.00 0.00 O ATOM 0 H GLU A 44 -4.983 2.813 0.688 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.349 2.201 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.965 0.852 0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.814 0.661 2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.866 2.997 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.208 2.048 0.808 1.00 0.00 H new ATOM 633 N VAL A 45 -4.473 0.610 3.561 1.00 0.00 N ATOM 634 CA VAL A 45 -3.481 -0.427 3.818 1.00 0.00 C ATOM 635 C VAL A 45 -4.145 -1.732 4.242 1.00 0.00 C ATOM 636 O VAL A 45 -5.207 -1.726 4.864 1.00 0.00 O ATOM 637 CB VAL A 45 -2.485 0.008 4.909 1.00 0.00 C ATOM 638 CG1 VAL A 45 -1.581 1.118 4.397 1.00 0.00 C ATOM 639 CG2 VAL A 45 -3.227 0.449 6.162 1.00 0.00 C ATOM 0 H VAL A 45 -4.693 1.192 4.369 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.941 -0.586 2.885 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.859 -0.847 5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.885 1.411 5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.023 0.762 3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.187 1.977 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.508 0.753 6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.879 1.289 5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.827 -0.379 6.540 1.00 0.00 H new ATOM 649 N ALA A 46 -3.512 -2.849 3.901 1.00 0.00 N ATOM 650 CA ALA A 46 -4.041 -4.163 4.249 1.00 0.00 C ATOM 651 C ALA A 46 -2.986 -5.011 4.951 1.00 0.00 C ATOM 652 O ALA A 46 -1.804 -4.668 4.990 1.00 0.00 O ATOM 653 CB ALA A 46 -4.549 -4.874 3.003 1.00 0.00 C ATOM 0 H ALA A 46 -2.633 -2.871 3.384 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.873 -4.022 4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.941 -5.853 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.341 -4.282 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.730 -4.997 2.295 1.00 0.00 H new ATOM 659 N PRO A 47 -3.421 -6.144 5.522 1.00 0.00 N ATOM 660 CA PRO A 47 -2.529 -7.064 6.235 1.00 0.00 C ATOM 661 C PRO A 47 -1.573 -7.789 5.294 1.00 0.00 C ATOM 662 O PRO A 47 -1.882 -8.870 4.790 1.00 0.00 O ATOM 663 CB PRO A 47 -3.494 -8.058 6.887 1.00 0.00 C ATOM 664 CG PRO A 47 -4.711 -8.024 6.030 1.00 0.00 C ATOM 665 CD PRO A 47 -4.816 -6.614 5.516 1.00 0.00 C ATOM 0 HA PRO A 47 -1.888 -6.542 6.945 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.065 -9.059 6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.724 -7.771 7.913 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.629 -8.734 5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.598 -8.298 6.601 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.246 -6.582 4.515 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.450 -5.999 6.155 1.00 0.00 H new ATOM 673 N LEU A 48 -0.411 -7.189 5.061 1.00 0.00 N ATOM 674 CA LEU A 48 0.591 -7.778 4.180 1.00 0.00 C ATOM 675 C LEU A 48 0.662 -9.290 4.371 1.00 0.00 C ATOM 676 O LEU A 48 0.864 -10.036 3.413 1.00 0.00 O ATOM 677 CB LEU A 48 1.962 -7.155 4.447 1.00 0.00 C ATOM 678 CG LEU A 48 3.024 -7.380 3.369 1.00 0.00 C ATOM 679 CD1 LEU A 48 2.611 -6.714 2.066 1.00 0.00 C ATOM 680 CD2 LEU A 48 4.375 -6.857 3.833 1.00 0.00 C ATOM 0 H LEU A 48 -0.139 -6.295 5.470 1.00 0.00 H new ATOM 0 HA LEU A 48 0.299 -7.573 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.831 -6.081 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.341 -7.550 5.390 1.00 0.00 H new ATOM 0 HG LEU A 48 3.114 -8.452 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.378 -6.885 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.666 -7.137 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.492 -5.643 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.118 -7.026 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.301 -5.789 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.676 -7.381 4.740 1.00 0.00 H new ATOM 692 N GLN A 49 0.492 -9.734 5.612 1.00 0.00 N ATOM 693 CA GLN A 49 0.536 -11.157 5.927 1.00 0.00 C ATOM 694 C GLN A 49 -0.453 -11.935 5.065 1.00 0.00 C ATOM 695 O GLN A 49 -1.664 -11.870 5.279 1.00 0.00 O ATOM 696 CB GLN A 49 0.227 -11.382 7.408 1.00 0.00 C ATOM 697 CG GLN A 49 -1.106 -10.800 7.848 1.00 0.00 C ATOM 698 CD GLN A 49 -1.174 -10.561 9.343 1.00 0.00 C ATOM 699 OE1 GLN A 49 -1.237 -9.419 9.799 1.00 0.00 O ATOM 700 NE2 GLN A 49 -1.162 -11.641 10.116 1.00 0.00 N ATOM 0 H GLN A 49 0.323 -9.129 6.416 1.00 0.00 H new ATOM 0 HA GLN A 49 1.541 -11.521 5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.231 -12.453 7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.023 -10.940 8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.277 -9.859 7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.908 -11.478 7.555 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.109 -12.569 9.695 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.206 -11.543 11.130 1.00 0.00 H new ATOM 709 N SER A 50 0.071 -12.670 4.090 1.00 0.00 N ATOM 710 CA SER A 50 -0.767 -13.458 3.192 1.00 0.00 C ATOM 711 C SER A 50 -2.030 -12.691 2.814 1.00 0.00 C ATOM 712 O SER A 50 -3.141 -13.211 2.919 1.00 0.00 O ATOM 713 CB SER A 50 -1.141 -14.789 3.847 1.00 0.00 C ATOM 714 OG SER A 50 -1.783 -14.581 5.093 1.00 0.00 O ATOM 0 H SER A 50 1.071 -12.737 3.901 1.00 0.00 H new ATOM 0 HA SER A 50 -0.198 -13.655 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.799 -15.352 3.185 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.244 -15.391 3.992 1.00 0.00 H new ATOM 0 HG SER A 50 -2.677 -14.983 5.072 1.00 0.00 H new ATOM 720 N VAL A 51 -1.851 -11.449 2.374 1.00 0.00 N ATOM 721 CA VAL A 51 -2.975 -10.609 1.979 1.00 0.00 C ATOM 722 C VAL A 51 -4.037 -11.421 1.246 1.00 0.00 C ATOM 723 O VAL A 51 -3.919 -11.680 0.048 1.00 0.00 O ATOM 724 CB VAL A 51 -2.518 -9.448 1.076 1.00 0.00 C ATOM 725 CG1 VAL A 51 -3.699 -8.564 0.705 1.00 0.00 C ATOM 726 CG2 VAL A 51 -1.429 -8.637 1.762 1.00 0.00 C ATOM 0 H VAL A 51 -0.938 -11.003 2.282 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.402 -10.201 2.895 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.105 -9.865 0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.357 -7.749 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.443 -9.156 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.145 -8.153 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.118 -7.821 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.814 -8.228 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.574 -9.280 1.972 1.00 0.00 H new ATOM 736 N PHE A 52 -5.076 -11.819 1.973 1.00 0.00 N ATOM 737 CA PHE A 52 -6.160 -12.603 1.392 1.00 0.00 C ATOM 738 C PHE A 52 -7.008 -11.747 0.455 1.00 0.00 C ATOM 739 O PHE A 52 -7.051 -11.986 -0.751 1.00 0.00 O ATOM 740 CB PHE A 52 -7.039 -13.194 2.496 1.00 0.00 C ATOM 741 CG PHE A 52 -6.312 -14.158 3.389 1.00 0.00 C ATOM 742 CD1 PHE A 52 -5.631 -15.240 2.854 1.00 0.00 C ATOM 743 CD2 PHE A 52 -6.308 -13.982 4.764 1.00 0.00 C ATOM 744 CE1 PHE A 52 -4.962 -16.129 3.674 1.00 0.00 C ATOM 745 CE2 PHE A 52 -5.640 -14.867 5.588 1.00 0.00 C ATOM 746 CZ PHE A 52 -4.965 -15.942 5.043 1.00 0.00 C ATOM 0 H PHE A 52 -5.190 -11.612 2.965 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.719 -13.415 0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.442 -12.383 3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.888 -13.703 2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.623 -15.390 1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.833 -13.143 5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.437 -16.970 3.245 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.645 -14.719 6.658 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.441 -16.634 5.685 1.00 0.00 H new ATOM 756 N GLN A 53 -7.681 -10.750 1.020 1.00 0.00 N ATOM 757 CA GLN A 53 -8.528 -9.860 0.236 1.00 0.00 C ATOM 758 C GLN A 53 -8.175 -8.400 0.499 1.00 0.00 C ATOM 759 O GLN A 53 -7.935 -7.631 -0.431 1.00 0.00 O ATOM 760 CB GLN A 53 -10.002 -10.106 0.562 1.00 0.00 C ATOM 761 CG GLN A 53 -10.956 -9.592 -0.505 1.00 0.00 C ATOM 762 CD GLN A 53 -11.029 -10.506 -1.712 1.00 0.00 C ATOM 763 OE1 GLN A 53 -11.494 -11.642 -1.618 1.00 0.00 O ATOM 764 NE2 GLN A 53 -10.568 -10.014 -2.856 1.00 0.00 N ATOM 0 H GLN A 53 -7.656 -10.539 2.018 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.355 -10.072 -0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.162 -11.176 0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.240 -9.627 1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.952 -9.484 -0.075 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.637 -8.600 -0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.191 -9.067 -2.889 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.591 -10.583 -3.702 1.00 0.00 H new ATOM 773 N GLY A 54 -8.145 -8.023 1.774 1.00 0.00 N ATOM 774 CA GLY A 54 -7.821 -6.656 2.137 1.00 0.00 C ATOM 775 C GLY A 54 -8.865 -6.033 3.041 1.00 0.00 C ATOM 776 O GLY A 54 -9.548 -5.087 2.650 1.00 0.00 O ATOM 0 H GLY A 54 -8.339 -8.641 2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.853 -6.636 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.724 -6.056 1.232 1.00 0.00 H new ATOM 780 N GLN A 55 -8.991 -6.565 4.253 1.00 0.00 N ATOM 781 CA GLN A 55 -9.962 -6.055 5.214 1.00 0.00 C ATOM 782 C GLN A 55 -9.708 -4.582 5.515 1.00 0.00 C ATOM 783 O GLN A 55 -8.567 -4.119 5.489 1.00 0.00 O ATOM 784 CB GLN A 55 -9.907 -6.870 6.507 1.00 0.00 C ATOM 785 CG GLN A 55 -11.210 -6.857 7.290 1.00 0.00 C ATOM 786 CD GLN A 55 -11.025 -7.268 8.738 1.00 0.00 C ATOM 787 OE1 GLN A 55 -10.710 -8.421 9.033 1.00 0.00 O ATOM 788 NE2 GLN A 55 -11.220 -6.323 9.650 1.00 0.00 N ATOM 0 H GLN A 55 -8.433 -7.349 4.592 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.955 -6.150 4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.648 -7.901 6.266 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.109 -6.480 7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.642 -5.857 7.253 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.923 -7.530 6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.480 -5.380 9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.110 -6.540 10.641 1.00 0.00 H new ATOM 797 N LYS A 56 -10.778 -3.849 5.802 1.00 0.00 N ATOM 798 CA LYS A 56 -10.672 -2.427 6.110 1.00 0.00 C ATOM 799 C LYS A 56 -10.073 -2.214 7.497 1.00 0.00 C ATOM 800 O LYS A 56 -9.870 -3.167 8.250 1.00 0.00 O ATOM 801 CB LYS A 56 -12.048 -1.763 6.030 1.00 0.00 C ATOM 802 CG LYS A 56 -12.993 -2.185 7.142 1.00 0.00 C ATOM 803 CD LYS A 56 -13.570 -3.568 6.888 1.00 0.00 C ATOM 804 CE LYS A 56 -14.941 -3.726 7.528 1.00 0.00 C ATOM 805 NZ LYS A 56 -16.005 -3.056 6.731 1.00 0.00 N ATOM 0 H LYS A 56 -11.729 -4.216 5.828 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.011 -1.970 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.922 -0.681 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.502 -2.002 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.462 -2.181 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.804 -1.461 7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.646 -3.740 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.893 -4.324 7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.175 -4.786 7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.923 -3.307 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.822 -2.856 7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.637 -2.165 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.300 -3.679 5.952 1.00 0.00 H new ATOM 819 N THR A 57 -9.794 -0.958 7.829 1.00 0.00 N ATOM 820 CA THR A 57 -9.219 -0.620 9.125 1.00 0.00 C ATOM 821 C THR A 57 -10.188 0.214 9.956 1.00 0.00 C ATOM 822 O THR A 57 -10.219 0.107 11.181 1.00 0.00 O ATOM 823 CB THR A 57 -7.897 0.155 8.969 1.00 0.00 C ATOM 824 OG1 THR A 57 -7.367 0.485 10.257 1.00 0.00 O ATOM 825 CG2 THR A 57 -8.107 1.426 8.160 1.00 0.00 C ATOM 0 H THR A 57 -9.957 -0.158 7.218 1.00 0.00 H new ATOM 0 HA THR A 57 -9.021 -1.561 9.638 1.00 0.00 H new ATOM 0 HB THR A 57 -7.189 -0.482 8.438 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.526 0.976 10.149 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.160 1.956 8.063 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.482 1.169 7.169 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.830 2.065 8.667 1.00 0.00 H new ATOM 833 N GLU A 58 -10.977 1.044 9.280 1.00 0.00 N ATOM 834 CA GLU A 58 -11.947 1.896 9.958 1.00 0.00 C ATOM 835 C GLU A 58 -13.211 2.056 9.118 1.00 0.00 C ATOM 836 O GLU A 58 -13.242 1.682 7.946 1.00 0.00 O ATOM 837 CB GLU A 58 -11.338 3.268 10.249 1.00 0.00 C ATOM 838 CG GLU A 58 -12.019 4.007 11.389 1.00 0.00 C ATOM 839 CD GLU A 58 -11.221 5.206 11.867 1.00 0.00 C ATOM 840 OE1 GLU A 58 -10.092 5.009 12.361 1.00 0.00 O ATOM 841 OE2 GLU A 58 -11.728 6.341 11.745 1.00 0.00 O ATOM 0 H GLU A 58 -10.963 1.144 8.265 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.216 1.419 10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.282 3.144 10.487 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.392 3.879 9.348 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.006 4.338 11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.171 3.321 12.222 1.00 0.00 H new ATOM 848 N SER A 59 -14.253 2.613 9.727 1.00 0.00 N ATOM 849 CA SER A 59 -15.521 2.819 9.038 1.00 0.00 C ATOM 850 C SER A 59 -15.414 3.962 8.033 1.00 0.00 C ATOM 851 O SER A 59 -15.892 3.859 6.905 1.00 0.00 O ATOM 852 CB SER A 59 -16.632 3.115 10.047 1.00 0.00 C ATOM 853 OG SER A 59 -16.309 4.240 10.847 1.00 0.00 O ATOM 0 H SER A 59 -14.244 2.930 10.697 1.00 0.00 H new ATOM 0 HA SER A 59 -15.765 1.904 8.498 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.568 3.297 9.519 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.790 2.245 10.684 1.00 0.00 H new ATOM 0 HG SER A 59 -17.036 4.409 11.482 1.00 0.00 H new ATOM 859 N GLY A 60 -14.782 5.054 8.453 1.00 0.00 N ATOM 860 CA GLY A 60 -14.622 6.202 7.579 1.00 0.00 C ATOM 861 C GLY A 60 -15.854 7.085 7.552 1.00 0.00 C ATOM 862 O GLY A 60 -16.792 6.903 8.329 1.00 0.00 O ATOM 0 H GLY A 60 -14.378 5.164 9.383 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.765 6.789 7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.403 5.858 6.568 1.00 0.00 H new ATOM 866 N PRO A 61 -15.862 8.068 6.639 1.00 0.00 N ATOM 867 CA PRO A 61 -16.981 9.003 6.492 1.00 0.00 C ATOM 868 C PRO A 61 -18.226 8.331 5.923 1.00 0.00 C ATOM 869 O PRO A 61 -18.323 8.103 4.717 1.00 0.00 O ATOM 870 CB PRO A 61 -16.443 10.049 5.514 1.00 0.00 C ATOM 871 CG PRO A 61 -15.394 9.335 4.734 1.00 0.00 C ATOM 872 CD PRO A 61 -14.778 8.342 5.681 1.00 0.00 C ATOM 0 HA PRO A 61 -17.295 9.418 7.450 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -17.232 10.426 4.863 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -16.028 10.908 6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -15.825 8.833 3.868 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.645 10.032 4.358 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -14.460 7.437 5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.898 8.752 6.176 1.00 0.00 H new ATOM 880 N SER A 62 -19.177 8.017 6.797 1.00 0.00 N ATOM 881 CA SER A 62 -20.415 7.369 6.381 1.00 0.00 C ATOM 882 C SER A 62 -20.911 7.944 5.059 1.00 0.00 C ATOM 883 O SER A 62 -21.038 7.227 4.066 1.00 0.00 O ATOM 884 CB SER A 62 -21.489 7.534 7.458 1.00 0.00 C ATOM 885 OG SER A 62 -22.734 7.019 7.020 1.00 0.00 O ATOM 0 H SER A 62 -19.114 8.201 7.798 1.00 0.00 H new ATOM 0 HA SER A 62 -20.211 6.307 6.241 1.00 0.00 H new ATOM 0 HB2 SER A 62 -21.179 7.019 8.367 1.00 0.00 H new ATOM 0 HB3 SER A 62 -21.597 8.589 7.710 1.00 0.00 H new ATOM 0 HG SER A 62 -23.403 7.135 7.727 1.00 0.00 H new ATOM 891 N SER A 63 -21.191 9.243 5.054 1.00 0.00 N ATOM 892 CA SER A 63 -21.678 9.916 3.855 1.00 0.00 C ATOM 893 C SER A 63 -20.575 10.757 3.218 1.00 0.00 C ATOM 894 O SER A 63 -20.802 11.898 2.818 1.00 0.00 O ATOM 895 CB SER A 63 -22.879 10.801 4.193 1.00 0.00 C ATOM 896 OG SER A 63 -24.044 10.021 4.400 1.00 0.00 O ATOM 0 H SER A 63 -21.089 9.851 5.867 1.00 0.00 H new ATOM 0 HA SER A 63 -21.988 9.153 3.141 1.00 0.00 H new ATOM 0 HB2 SER A 63 -22.664 11.385 5.088 1.00 0.00 H new ATOM 0 HB3 SER A 63 -23.051 11.510 3.384 1.00 0.00 H new ATOM 0 HG SER A 63 -24.797 10.609 4.616 1.00 0.00 H new ATOM 902 N GLY A 64 -19.379 10.184 3.129 1.00 0.00 N ATOM 903 CA GLY A 64 -18.258 10.894 2.540 1.00 0.00 C ATOM 904 C GLY A 64 -18.312 10.909 1.026 1.00 0.00 C ATOM 905 O GLY A 64 -17.922 11.908 0.423 1.00 0.00 O ATOM 0 H GLY A 64 -19.166 9.241 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.246 11.919 2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.327 10.428 2.863 1.00 0.00 H new TER 909 GLY A 64 HETATM 910 ZN ZN A 201 7.857 4.777 5.889 1.00 0.00 ZN HETATM 911 ZN ZN A 401 -0.587 4.966 -0.469 1.00 0.00 ZN