USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 739 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 58 ASN : amide:sc= -0.0152 K(o=0.73,f=-5.2!) USER MOD Set 1.2: A 81 THR OG1 : rot 50:sc= 0.748 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 35:sc= 0.254 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.3) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.43) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.086) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= -0.931 (180deg=-1.43) USER MOD Single : A 41 SER OG : rot -105:sc= 1.1 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0584 F(o=-0.83,f=-0.058) USER MOD Single : A 51 ASN :FLIP amide:sc= -4.46! C(o=-6.2!,f=-4.5!) USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0481 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.36 F(o=-2.4!,f=-1.4) USER MOD Single : A 73 MET CE :methyl 166:sc= 0 (180deg=-0.038) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= -0.0989 (180deg=-0.214) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 10:sc= 0.876 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 37:sc= 0.0229 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.616 4.694 -18.097 1.00 0.00 N ATOM 2 CA GLY A 1 -4.698 4.338 -17.198 1.00 0.00 C ATOM 3 C GLY A 1 -5.772 3.515 -17.882 1.00 0.00 C ATOM 4 O GLY A 1 -6.517 4.026 -18.718 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.908 5.256 -17.583 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.171 3.829 -18.465 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.992 5.253 -18.889 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.296 3.776 -16.355 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.143 5.246 -16.793 1.00 0.00 H new ATOM 8 N SER A 2 -5.852 2.237 -17.528 1.00 0.00 N ATOM 9 CA SER A 2 -6.839 1.340 -18.117 1.00 0.00 C ATOM 10 C SER A 2 -7.221 0.234 -17.138 1.00 0.00 C ATOM 11 O SER A 2 -6.396 -0.608 -16.783 1.00 0.00 O ATOM 12 CB SER A 2 -6.296 0.728 -19.409 1.00 0.00 C ATOM 13 OG SER A 2 -7.330 0.112 -20.157 1.00 0.00 O ATOM 0 H SER A 2 -5.245 1.799 -16.836 1.00 0.00 H new ATOM 0 HA SER A 2 -7.731 1.922 -18.346 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.821 1.503 -20.010 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.527 -0.007 -19.171 1.00 0.00 H new ATOM 0 HG SER A 2 -6.956 -0.270 -20.979 1.00 0.00 H new ATOM 19 N SER A 3 -8.478 0.243 -16.706 1.00 0.00 N ATOM 20 CA SER A 3 -8.970 -0.757 -15.765 1.00 0.00 C ATOM 21 C SER A 3 -9.200 -2.094 -16.464 1.00 0.00 C ATOM 22 O SER A 3 -10.052 -2.209 -17.344 1.00 0.00 O ATOM 23 CB SER A 3 -10.269 -0.279 -15.114 1.00 0.00 C ATOM 24 OG SER A 3 -10.020 0.757 -14.180 1.00 0.00 O ATOM 0 H SER A 3 -9.174 0.931 -16.992 1.00 0.00 H new ATOM 0 HA SER A 3 -8.214 -0.896 -14.992 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.955 0.077 -15.883 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.757 -1.115 -14.613 1.00 0.00 H new ATOM 0 HG SER A 3 -10.866 1.046 -13.779 1.00 0.00 H new ATOM 30 N GLY A 4 -8.432 -3.103 -16.064 1.00 0.00 N ATOM 31 CA GLY A 4 -8.566 -4.419 -16.661 1.00 0.00 C ATOM 32 C GLY A 4 -8.371 -5.535 -15.654 1.00 0.00 C ATOM 33 O GLY A 4 -9.241 -6.389 -15.488 1.00 0.00 O ATOM 0 H GLY A 4 -7.720 -3.033 -15.337 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.553 -4.510 -17.113 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.836 -4.526 -17.464 1.00 0.00 H new ATOM 37 N SER A 5 -7.224 -5.529 -14.982 1.00 0.00 N ATOM 38 CA SER A 5 -6.915 -6.552 -13.990 1.00 0.00 C ATOM 39 C SER A 5 -7.468 -6.167 -12.621 1.00 0.00 C ATOM 40 O SER A 5 -7.679 -4.989 -12.334 1.00 0.00 O ATOM 41 CB SER A 5 -5.402 -6.764 -13.900 1.00 0.00 C ATOM 42 OG SER A 5 -4.964 -7.720 -14.850 1.00 0.00 O ATOM 0 H SER A 5 -6.494 -4.828 -15.106 1.00 0.00 H new ATOM 0 HA SER A 5 -7.388 -7.482 -14.305 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.888 -5.818 -14.068 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.137 -7.096 -12.896 1.00 0.00 H new ATOM 0 HG SER A 5 -3.994 -7.836 -14.774 1.00 0.00 H new ATOM 48 N SER A 6 -7.701 -7.170 -11.780 1.00 0.00 N ATOM 49 CA SER A 6 -8.234 -6.938 -10.443 1.00 0.00 C ATOM 50 C SER A 6 -7.180 -6.303 -9.541 1.00 0.00 C ATOM 51 O SER A 6 -6.109 -6.869 -9.325 1.00 0.00 O ATOM 52 CB SER A 6 -8.721 -8.252 -9.830 1.00 0.00 C ATOM 53 OG SER A 6 -7.692 -9.227 -9.829 1.00 0.00 O ATOM 0 H SER A 6 -7.529 -8.151 -12.001 1.00 0.00 H new ATOM 0 HA SER A 6 -9.076 -6.251 -10.528 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.061 -8.077 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.578 -8.624 -10.392 1.00 0.00 H new ATOM 0 HG SER A 6 -6.827 -8.790 -9.683 1.00 0.00 H new ATOM 59 N GLY A 7 -7.492 -5.122 -9.017 1.00 0.00 N ATOM 60 CA GLY A 7 -6.562 -4.428 -8.144 1.00 0.00 C ATOM 61 C GLY A 7 -6.211 -3.044 -8.654 1.00 0.00 C ATOM 62 O GLY A 7 -5.674 -2.898 -9.752 1.00 0.00 O ATOM 0 H GLY A 7 -8.372 -4.633 -9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.996 -4.345 -7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.651 -5.018 -8.047 1.00 0.00 H new ATOM 66 N ARG A 8 -6.517 -2.026 -7.856 1.00 0.00 N ATOM 67 CA ARG A 8 -6.233 -0.647 -8.234 1.00 0.00 C ATOM 68 C ARG A 8 -4.773 -0.298 -7.962 1.00 0.00 C ATOM 69 O ARG A 8 -4.192 -0.743 -6.972 1.00 0.00 O ATOM 70 CB ARG A 8 -7.149 0.312 -7.472 1.00 0.00 C ATOM 71 CG ARG A 8 -6.921 0.307 -5.969 1.00 0.00 C ATOM 72 CD ARG A 8 -7.761 1.366 -5.274 1.00 0.00 C ATOM 73 NE ARG A 8 -7.467 2.709 -5.768 1.00 0.00 N ATOM 74 CZ ARG A 8 -8.033 3.234 -6.848 1.00 0.00 C ATOM 75 NH1 ARG A 8 -8.918 2.534 -7.544 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.714 4.463 -7.235 1.00 0.00 N ATOM 0 H ARG A 8 -6.961 -2.130 -6.944 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.420 -0.544 -9.303 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.998 1.323 -7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.187 0.048 -7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.166 -0.676 -5.566 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.866 0.483 -5.760 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.818 1.147 -5.426 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.578 1.327 -4.200 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.790 3.274 -5.255 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.166 1.589 -7.250 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.351 2.940 -8.373 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.033 5.005 -6.702 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.149 4.865 -8.065 1.00 0.00 H new ATOM 90 N VAL A 9 -4.185 0.500 -8.848 1.00 0.00 N ATOM 91 CA VAL A 9 -2.794 0.909 -8.703 1.00 0.00 C ATOM 92 C VAL A 9 -2.688 2.267 -8.018 1.00 0.00 C ATOM 93 O VAL A 9 -3.330 3.233 -8.430 1.00 0.00 O ATOM 94 CB VAL A 9 -2.084 0.978 -10.068 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.629 1.386 -9.893 1.00 0.00 C ATOM 96 CG2 VAL A 9 -2.189 -0.356 -10.791 1.00 0.00 C ATOM 0 H VAL A 9 -4.651 0.876 -9.674 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.306 0.155 -8.085 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.578 1.735 -10.677 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.144 1.429 -10.868 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.581 2.367 -9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.119 0.655 -9.266 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.682 -0.289 -11.754 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.722 -1.134 -10.188 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.239 -0.602 -10.950 1.00 0.00 H new ATOM 106 N VAL A 10 -1.874 2.333 -6.970 1.00 0.00 N ATOM 107 CA VAL A 10 -1.682 3.574 -6.228 1.00 0.00 C ATOM 108 C VAL A 10 -0.229 4.030 -6.284 1.00 0.00 C ATOM 109 O VAL A 10 0.685 3.213 -6.405 1.00 0.00 O ATOM 110 CB VAL A 10 -2.103 3.417 -4.754 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.515 4.760 -4.170 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.230 2.403 -4.627 1.00 0.00 C ATOM 0 H VAL A 10 -1.337 1.542 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.313 4.326 -6.701 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.248 3.049 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.809 4.629 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.676 5.454 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.356 5.161 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.515 2.305 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.090 2.740 -5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.894 1.437 -5.004 1.00 0.00 H new ATOM 122 N VAL A 11 -0.021 5.340 -6.196 1.00 0.00 N ATOM 123 CA VAL A 11 1.323 5.905 -6.236 1.00 0.00 C ATOM 124 C VAL A 11 1.452 7.082 -5.275 1.00 0.00 C ATOM 125 O VAL A 11 0.710 8.060 -5.373 1.00 0.00 O ATOM 126 CB VAL A 11 1.693 6.372 -7.656 1.00 0.00 C ATOM 127 CG1 VAL A 11 3.093 6.968 -7.674 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.584 5.218 -8.641 1.00 0.00 C ATOM 0 H VAL A 11 -0.766 6.030 -6.097 1.00 0.00 H new ATOM 0 HA VAL A 11 2.009 5.114 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 11 0.990 7.147 -7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.337 7.292 -8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.133 7.823 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.813 6.216 -7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.849 5.566 -9.640 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.263 4.420 -8.343 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.561 4.841 -8.648 1.00 0.00 H new ATOM 138 N ILE A 12 2.398 6.981 -4.348 1.00 0.00 N ATOM 139 CA ILE A 12 2.626 8.038 -3.371 1.00 0.00 C ATOM 140 C ILE A 12 4.064 8.541 -3.430 1.00 0.00 C ATOM 141 O ILE A 12 4.978 7.800 -3.791 1.00 0.00 O ATOM 142 CB ILE A 12 2.319 7.558 -1.940 1.00 0.00 C ATOM 143 CG1 ILE A 12 1.038 6.722 -1.923 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.196 8.746 -0.998 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.929 5.808 -0.722 1.00 0.00 C ATOM 0 H ILE A 12 3.019 6.178 -4.253 1.00 0.00 H new ATOM 0 HA ILE A 12 1.949 8.853 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 12 3.143 6.932 -1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.177 7.390 -1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.993 6.122 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.979 8.391 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.132 9.304 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.388 9.396 -1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.003 5.246 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.770 5.115 -0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.941 6.404 0.191 1.00 0.00 H new ATOM 157 N LYS A 13 4.258 9.805 -3.070 1.00 0.00 N ATOM 158 CA LYS A 13 5.586 10.408 -3.078 1.00 0.00 C ATOM 159 C LYS A 13 5.876 11.102 -1.751 1.00 0.00 C ATOM 160 O LYS A 13 5.322 12.162 -1.459 1.00 0.00 O ATOM 161 CB LYS A 13 5.707 11.411 -4.228 1.00 0.00 C ATOM 162 CG LYS A 13 4.841 11.067 -5.428 1.00 0.00 C ATOM 163 CD LYS A 13 4.908 12.150 -6.492 1.00 0.00 C ATOM 164 CE LYS A 13 3.836 13.207 -6.279 1.00 0.00 C ATOM 165 NZ LYS A 13 3.466 13.886 -7.552 1.00 0.00 N ATOM 0 H LYS A 13 3.512 10.432 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 13 6.318 9.613 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.434 12.402 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.749 11.464 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.167 10.118 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.808 10.935 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.892 12.619 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.787 11.701 -7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.951 12.744 -5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.193 13.947 -5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.733 14.599 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.305 14.350 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.101 13.184 -8.227 1.00 0.00 H new ATOM 179 N LYS A 14 6.749 10.500 -0.952 1.00 0.00 N ATOM 180 CA LYS A 14 7.116 11.061 0.343 1.00 0.00 C ATOM 181 C LYS A 14 7.150 12.585 0.286 1.00 0.00 C ATOM 182 O LYS A 14 7.814 13.169 -0.569 1.00 0.00 O ATOM 183 CB LYS A 14 8.480 10.526 0.786 1.00 0.00 C ATOM 184 CG LYS A 14 8.645 10.455 2.294 1.00 0.00 C ATOM 185 CD LYS A 14 10.005 9.899 2.681 1.00 0.00 C ATOM 186 CE LYS A 14 9.997 8.379 2.712 1.00 0.00 C ATOM 187 NZ LYS A 14 11.103 7.835 3.550 1.00 0.00 N ATOM 0 H LYS A 14 7.217 9.622 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 14 6.361 10.759 1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.624 9.531 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.262 11.163 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.523 11.450 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.861 9.828 2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.756 10.246 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.291 10.282 3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.041 8.029 3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.088 7.995 1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.063 6.796 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.017 8.148 3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.002 8.181 4.526 1.00 0.00 H new ATOM 201 N GLY A 15 6.429 13.223 1.203 1.00 0.00 N ATOM 202 CA GLY A 15 6.392 14.674 1.239 1.00 0.00 C ATOM 203 C GLY A 15 6.685 15.226 2.620 1.00 0.00 C ATOM 204 O GLY A 15 7.535 16.103 2.777 1.00 0.00 O ATOM 0 H GLY A 15 5.870 12.762 1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.119 15.071 0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.410 15.018 0.914 1.00 0.00 H new ATOM 208 N SER A 16 5.979 14.714 3.623 1.00 0.00 N ATOM 209 CA SER A 16 6.164 15.167 4.997 1.00 0.00 C ATOM 210 C SER A 16 6.785 14.066 5.852 1.00 0.00 C ATOM 211 O SER A 16 6.121 13.481 6.708 1.00 0.00 O ATOM 212 CB SER A 16 4.826 15.602 5.598 1.00 0.00 C ATOM 213 OG SER A 16 4.486 16.915 5.188 1.00 0.00 O ATOM 0 H SER A 16 5.274 13.986 3.510 1.00 0.00 H new ATOM 0 HA SER A 16 6.842 16.020 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.043 14.908 5.292 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.882 15.560 6.686 1.00 0.00 H new ATOM 0 HG SER A 16 3.626 17.169 5.584 1.00 0.00 H new ATOM 219 N ASN A 17 8.063 13.790 5.614 1.00 0.00 N ATOM 220 CA ASN A 17 8.774 12.759 6.361 1.00 0.00 C ATOM 221 C ASN A 17 7.949 11.478 6.442 1.00 0.00 C ATOM 222 O ASN A 17 7.875 10.840 7.491 1.00 0.00 O ATOM 223 CB ASN A 17 9.103 13.257 7.770 1.00 0.00 C ATOM 224 CG ASN A 17 9.816 12.208 8.602 1.00 0.00 C ATOM 225 OD1 ASN A 17 10.419 11.278 8.065 1.00 0.00 O ATOM 226 ND2 ASN A 17 9.749 12.353 9.920 1.00 0.00 N ATOM 0 H ASN A 17 8.627 14.266 4.910 1.00 0.00 H new ATOM 0 HA ASN A 17 9.702 12.539 5.834 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.727 14.148 7.701 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.182 13.551 8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.209 11.678 10.531 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.238 13.139 10.321 1.00 0.00 H new ATOM 233 N GLY A 18 7.330 11.108 5.325 1.00 0.00 N ATOM 234 CA GLY A 18 6.518 9.905 5.290 1.00 0.00 C ATOM 235 C GLY A 18 5.545 9.896 4.129 1.00 0.00 C ATOM 236 O GLY A 18 5.600 10.762 3.256 1.00 0.00 O ATOM 0 H GLY A 18 7.376 11.620 4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.169 9.033 5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.964 9.817 6.225 1.00 0.00 H new ATOM 240 N TYR A 19 4.651 8.913 4.116 1.00 0.00 N ATOM 241 CA TYR A 19 3.663 8.792 3.050 1.00 0.00 C ATOM 242 C TYR A 19 2.268 9.143 3.558 1.00 0.00 C ATOM 243 O TYR A 19 1.613 10.044 3.035 1.00 0.00 O ATOM 244 CB TYR A 19 3.668 7.372 2.480 1.00 0.00 C ATOM 245 CG TYR A 19 5.012 6.944 1.935 1.00 0.00 C ATOM 246 CD1 TYR A 19 5.962 6.353 2.760 1.00 0.00 C ATOM 247 CD2 TYR A 19 5.332 7.130 0.596 1.00 0.00 C ATOM 248 CE1 TYR A 19 7.191 5.960 2.267 1.00 0.00 C ATOM 249 CE2 TYR A 19 6.558 6.739 0.094 1.00 0.00 C ATOM 250 CZ TYR A 19 7.484 6.155 0.933 1.00 0.00 C ATOM 251 OH TYR A 19 8.707 5.765 0.437 1.00 0.00 O ATOM 0 H TYR A 19 4.590 8.189 4.831 1.00 0.00 H new ATOM 0 HA TYR A 19 3.930 9.494 2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.363 6.675 3.260 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.925 7.306 1.685 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.735 6.198 3.805 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.610 7.588 -0.064 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.918 5.503 2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.790 6.890 -0.950 1.00 0.00 H new ATOM 0 HH TYR A 19 8.753 5.972 -0.520 1.00 0.00 H new ATOM 261 N GLY A 20 1.820 8.424 4.583 1.00 0.00 N ATOM 262 CA GLY A 20 0.506 8.673 5.145 1.00 0.00 C ATOM 263 C GLY A 20 -0.358 7.428 5.175 1.00 0.00 C ATOM 264 O GLY A 20 -1.586 7.515 5.139 1.00 0.00 O ATOM 0 H GLY A 20 2.344 7.674 5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.615 9.060 6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.005 9.445 4.561 1.00 0.00 H new ATOM 268 N PHE A 21 0.283 6.266 5.240 1.00 0.00 N ATOM 269 CA PHE A 21 -0.435 4.997 5.272 1.00 0.00 C ATOM 270 C PHE A 21 0.334 3.958 6.083 1.00 0.00 C ATOM 271 O PHE A 21 1.547 3.811 5.933 1.00 0.00 O ATOM 272 CB PHE A 21 -0.666 4.482 3.850 1.00 0.00 C ATOM 273 CG PHE A 21 0.576 3.946 3.197 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.467 4.800 2.567 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.852 2.589 3.213 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.611 4.310 1.966 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.995 2.093 2.614 1.00 0.00 C ATOM 278 CZ PHE A 21 2.875 2.955 1.988 1.00 0.00 C ATOM 0 H PHE A 21 1.299 6.177 5.272 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.399 5.165 5.751 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.422 3.697 3.875 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.067 5.291 3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.265 5.861 2.545 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.167 1.910 3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.298 4.987 1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.200 1.033 2.635 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.767 2.570 1.517 1.00 0.00 H new ATOM 288 N TYR A 22 -0.381 3.241 6.942 1.00 0.00 N ATOM 289 CA TYR A 22 0.232 2.217 7.780 1.00 0.00 C ATOM 290 C TYR A 22 -0.023 0.824 7.213 1.00 0.00 C ATOM 291 O TYR A 22 -0.798 0.657 6.270 1.00 0.00 O ATOM 292 CB TYR A 22 -0.308 2.305 9.208 1.00 0.00 C ATOM 293 CG TYR A 22 0.153 3.536 9.955 1.00 0.00 C ATOM 294 CD1 TYR A 22 -0.099 4.809 9.458 1.00 0.00 C ATOM 295 CD2 TYR A 22 0.841 3.427 11.157 1.00 0.00 C ATOM 296 CE1 TYR A 22 0.321 5.937 10.137 1.00 0.00 C ATOM 297 CE2 TYR A 22 1.263 4.549 11.843 1.00 0.00 C ATOM 298 CZ TYR A 22 1.001 5.802 11.329 1.00 0.00 C ATOM 299 OH TYR A 22 1.421 6.922 12.009 1.00 0.00 O ATOM 0 H TYR A 22 -1.386 3.350 7.077 1.00 0.00 H new ATOM 0 HA TYR A 22 1.308 2.392 7.794 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.398 2.296 9.177 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.002 1.418 9.760 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.632 4.919 8.525 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.050 2.448 11.562 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.118 6.919 9.736 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.795 4.446 12.777 1.00 0.00 H new ATOM 0 HH TYR A 22 1.883 6.652 12.830 1.00 0.00 H new ATOM 309 N LEU A 23 0.634 -0.174 7.794 1.00 0.00 N ATOM 310 CA LEU A 23 0.479 -1.554 7.349 1.00 0.00 C ATOM 311 C LEU A 23 0.510 -2.515 8.533 1.00 0.00 C ATOM 312 O LEU A 23 1.274 -2.325 9.479 1.00 0.00 O ATOM 313 CB LEU A 23 1.583 -1.917 6.354 1.00 0.00 C ATOM 314 CG LEU A 23 1.541 -1.189 5.010 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.861 -1.353 4.273 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.387 -1.701 4.161 1.00 0.00 C ATOM 0 H LEU A 23 1.279 -0.053 8.575 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.489 -1.644 6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.547 -1.718 6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.536 -2.990 6.165 1.00 0.00 H new ATOM 0 HG LEU A 23 1.383 -0.127 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.813 -0.828 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.668 -0.937 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.050 -2.412 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.373 -1.171 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.514 -2.769 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.554 -1.530 4.685 1.00 0.00 H new ATOM 328 N ARG A 24 -0.324 -3.548 8.472 1.00 0.00 N ATOM 329 CA ARG A 24 -0.391 -4.540 9.538 1.00 0.00 C ATOM 330 C ARG A 24 -0.535 -5.946 8.965 1.00 0.00 C ATOM 331 O ARG A 24 -0.868 -6.118 7.792 1.00 0.00 O ATOM 332 CB ARG A 24 -1.564 -4.236 10.472 1.00 0.00 C ATOM 333 CG ARG A 24 -1.441 -4.892 11.838 1.00 0.00 C ATOM 334 CD ARG A 24 -2.311 -4.195 12.872 1.00 0.00 C ATOM 335 NE ARG A 24 -2.700 -5.093 13.955 1.00 0.00 N ATOM 336 CZ ARG A 24 -3.466 -6.165 13.782 1.00 0.00 C ATOM 337 NH1 ARG A 24 -3.921 -6.470 12.575 1.00 0.00 N ATOM 338 NH2 ARG A 24 -3.777 -6.934 14.818 1.00 0.00 N ATOM 0 H ARG A 24 -0.963 -3.720 7.695 1.00 0.00 H new ATOM 0 HA ARG A 24 0.539 -4.491 10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.643 -3.157 10.602 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.489 -4.569 10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.729 -5.941 11.766 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.400 -4.869 12.161 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.771 -3.342 13.284 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.205 -3.802 12.388 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.366 -4.886 14.896 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.683 -5.881 11.777 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.509 -7.293 12.445 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.428 -6.702 15.748 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.365 -7.757 14.684 1.00 0.00 H new ATOM 352 N ALA A 25 -0.281 -6.949 9.799 1.00 0.00 N ATOM 353 CA ALA A 25 -0.384 -8.340 9.376 1.00 0.00 C ATOM 354 C ALA A 25 -1.829 -8.824 9.425 1.00 0.00 C ATOM 355 O ALA A 25 -2.348 -9.154 10.490 1.00 0.00 O ATOM 356 CB ALA A 25 0.500 -9.223 10.245 1.00 0.00 C ATOM 0 H ALA A 25 -0.002 -6.824 10.772 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.042 -8.406 8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.413 -10.259 9.918 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.537 -8.900 10.155 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.184 -9.143 11.285 1.00 0.00 H new ATOM 362 N GLY A 26 -2.476 -8.862 8.263 1.00 0.00 N ATOM 363 CA GLY A 26 -3.856 -9.305 8.197 1.00 0.00 C ATOM 364 C GLY A 26 -3.982 -10.815 8.240 1.00 0.00 C ATOM 365 O GLY A 26 -2.989 -11.542 8.268 1.00 0.00 O ATOM 0 H GLY A 26 -2.069 -8.594 7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.413 -8.873 9.028 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.311 -8.931 7.280 1.00 0.00 H new ATOM 369 N PRO A 27 -5.229 -11.309 8.248 1.00 0.00 N ATOM 370 CA PRO A 27 -5.512 -12.746 8.289 1.00 0.00 C ATOM 371 C PRO A 27 -5.137 -13.448 6.988 1.00 0.00 C ATOM 372 O PRO A 27 -4.403 -12.901 6.167 1.00 0.00 O ATOM 373 CB PRO A 27 -7.025 -12.805 8.511 1.00 0.00 C ATOM 374 CG PRO A 27 -7.538 -11.518 7.963 1.00 0.00 C ATOM 375 CD PRO A 27 -6.460 -10.501 8.216 1.00 0.00 C ATOM 0 HA PRO A 27 -4.934 -13.252 9.062 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.468 -13.659 7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.266 -12.909 9.569 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.750 -11.605 6.897 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.469 -11.230 8.451 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.426 -9.748 7.429 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.619 -9.973 9.156 1.00 0.00 H new ATOM 383 N GLU A 28 -5.647 -14.663 6.808 1.00 0.00 N ATOM 384 CA GLU A 28 -5.364 -15.439 5.607 1.00 0.00 C ATOM 385 C GLU A 28 -5.308 -14.537 4.377 1.00 0.00 C ATOM 386 O GLU A 28 -4.609 -14.834 3.409 1.00 0.00 O ATOM 387 CB GLU A 28 -6.427 -16.522 5.410 1.00 0.00 C ATOM 388 CG GLU A 28 -6.539 -17.484 6.581 1.00 0.00 C ATOM 389 CD GLU A 28 -7.067 -18.845 6.169 1.00 0.00 C ATOM 390 OE1 GLU A 28 -8.298 -18.979 6.005 1.00 0.00 O ATOM 391 OE2 GLU A 28 -6.249 -19.775 6.011 1.00 0.00 O ATOM 0 H GLU A 28 -6.258 -15.130 7.478 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.391 -15.914 5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.394 -16.045 5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.195 -17.087 4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.559 -17.603 7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.198 -17.056 7.336 1.00 0.00 H new ATOM 398 N GLN A 29 -6.050 -13.435 4.425 1.00 0.00 N ATOM 399 CA GLN A 29 -6.086 -12.491 3.314 1.00 0.00 C ATOM 400 C GLN A 29 -4.677 -12.064 2.916 1.00 0.00 C ATOM 401 O GLN A 29 -4.133 -11.100 3.455 1.00 0.00 O ATOM 402 CB GLN A 29 -6.917 -11.262 3.689 1.00 0.00 C ATOM 403 CG GLN A 29 -8.413 -11.528 3.727 1.00 0.00 C ATOM 404 CD GLN A 29 -8.891 -12.342 2.541 1.00 0.00 C ATOM 405 OE1 GLN A 29 -9.071 -13.556 2.639 1.00 0.00 O ATOM 406 NE2 GLN A 29 -9.101 -11.676 1.411 1.00 0.00 N ATOM 0 H GLN A 29 -6.633 -13.174 5.220 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.549 -12.989 2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.596 -10.901 4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.716 -10.465 2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.661 -12.055 4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.947 -10.578 3.750 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.939 -10.670 1.375 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.424 -12.171 0.580 1.00 0.00 H new ATOM 415 N LYS A 30 -4.090 -12.789 1.970 1.00 0.00 N ATOM 416 CA LYS A 30 -2.744 -12.486 1.498 1.00 0.00 C ATOM 417 C LYS A 30 -2.581 -10.991 1.243 1.00 0.00 C ATOM 418 O LYS A 30 -3.305 -10.406 0.438 1.00 0.00 O ATOM 419 CB LYS A 30 -2.442 -13.269 0.218 1.00 0.00 C ATOM 420 CG LYS A 30 -2.310 -14.766 0.438 1.00 0.00 C ATOM 421 CD LYS A 30 -1.022 -15.112 1.166 1.00 0.00 C ATOM 422 CE LYS A 30 -1.179 -16.366 2.012 1.00 0.00 C ATOM 423 NZ LYS A 30 0.005 -16.597 2.886 1.00 0.00 N ATOM 0 H LYS A 30 -4.526 -13.591 1.515 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.038 -12.783 2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.236 -13.085 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.518 -12.892 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.162 -15.126 1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.335 -15.279 -0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.221 -15.259 0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.727 -14.277 1.802 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.074 -16.279 2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.323 -17.228 1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.141 -17.461 3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.855 -16.706 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.128 -15.786 3.525 1.00 0.00 H new ATOM 437 N GLY A 31 -1.622 -10.379 1.932 1.00 0.00 N ATOM 438 CA GLY A 31 -1.381 -8.958 1.764 1.00 0.00 C ATOM 439 C GLY A 31 -1.409 -8.206 3.080 1.00 0.00 C ATOM 440 O GLY A 31 -1.694 -8.786 4.127 1.00 0.00 O ATOM 0 H GLY A 31 -1.009 -10.842 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.413 -8.811 1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.134 -8.541 1.095 1.00 0.00 H new ATOM 444 N GLN A 32 -1.110 -6.912 3.026 1.00 0.00 N ATOM 445 CA GLN A 32 -1.100 -6.080 4.224 1.00 0.00 C ATOM 446 C GLN A 32 -2.283 -5.118 4.229 1.00 0.00 C ATOM 447 O GLN A 32 -2.691 -4.616 3.181 1.00 0.00 O ATOM 448 CB GLN A 32 0.210 -5.297 4.316 1.00 0.00 C ATOM 449 CG GLN A 32 1.450 -6.175 4.257 1.00 0.00 C ATOM 450 CD GLN A 32 1.421 -7.294 5.279 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.311 -8.469 4.927 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.520 -6.935 6.554 1.00 0.00 N ATOM 0 H GLN A 32 -0.872 -6.417 2.166 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.185 -6.735 5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.249 -4.573 3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.220 -4.730 5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.541 -6.602 3.258 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.334 -5.560 4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.610 -5.949 6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.506 -7.645 7.286 1.00 0.00 H new ATOM 461 N ILE A 33 -2.830 -4.867 5.413 1.00 0.00 N ATOM 462 CA ILE A 33 -3.966 -3.965 5.554 1.00 0.00 C ATOM 463 C ILE A 33 -3.505 -2.541 5.847 1.00 0.00 C ATOM 464 O ILE A 33 -2.556 -2.329 6.603 1.00 0.00 O ATOM 465 CB ILE A 33 -4.916 -4.426 6.675 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.223 -5.918 6.531 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.201 -3.610 6.649 1.00 0.00 C ATOM 468 CD1 ILE A 33 -5.849 -6.527 7.766 1.00 0.00 C ATOM 0 H ILE A 33 -2.505 -5.276 6.289 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.502 -3.983 4.605 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.426 -4.266 7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.894 -6.063 5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.300 -6.450 6.301 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.862 -3.947 7.447 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.966 -2.556 6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.696 -3.742 5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.039 -7.586 7.593 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.170 -6.414 8.611 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.789 -6.020 7.985 1.00 0.00 H new ATOM 480 N ILE A 34 -4.183 -1.569 5.246 1.00 0.00 N ATOM 481 CA ILE A 34 -3.844 -0.166 5.446 1.00 0.00 C ATOM 482 C ILE A 34 -4.738 0.470 6.505 1.00 0.00 C ATOM 483 O ILE A 34 -5.907 0.110 6.645 1.00 0.00 O ATOM 484 CB ILE A 34 -3.970 0.635 4.136 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.908 0.182 3.132 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.843 2.126 4.413 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.751 1.119 1.955 1.00 0.00 C ATOM 0 H ILE A 34 -4.970 -1.728 4.617 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.808 -0.136 5.783 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.954 0.448 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.950 0.092 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.167 -0.811 2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.934 2.679 3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.632 2.438 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.871 2.331 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.982 0.735 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.697 1.191 1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.461 2.107 2.313 1.00 0.00 H new ATOM 499 N LYS A 35 -4.180 1.419 7.249 1.00 0.00 N ATOM 500 CA LYS A 35 -4.926 2.109 8.295 1.00 0.00 C ATOM 501 C LYS A 35 -4.184 3.359 8.758 1.00 0.00 C ATOM 502 O LYS A 35 -3.066 3.628 8.318 1.00 0.00 O ATOM 503 CB LYS A 35 -5.162 1.174 9.483 1.00 0.00 C ATOM 504 CG LYS A 35 -3.887 0.570 10.045 1.00 0.00 C ATOM 505 CD LYS A 35 -3.549 -0.748 9.368 1.00 0.00 C ATOM 506 CE LYS A 35 -2.048 -0.989 9.334 1.00 0.00 C ATOM 507 NZ LYS A 35 -1.425 -0.799 10.673 1.00 0.00 N ATOM 0 H LYS A 35 -3.213 1.728 7.147 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.888 2.411 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.672 1.726 10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.830 0.370 9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.062 1.270 9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.001 0.411 11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.038 -1.566 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.941 -0.747 8.351 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.851 -2.002 8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.587 -0.308 8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.452 -1.165 10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.411 0.214 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.977 -1.313 11.389 1.00 0.00 H new ATOM 521 N ASP A 36 -4.812 4.119 9.649 1.00 0.00 N ATOM 522 CA ASP A 36 -4.210 5.339 10.173 1.00 0.00 C ATOM 523 C ASP A 36 -3.772 6.260 9.039 1.00 0.00 C ATOM 524 O ASP A 36 -2.671 6.811 9.065 1.00 0.00 O ATOM 525 CB ASP A 36 -3.013 5.000 11.063 1.00 0.00 C ATOM 526 CG ASP A 36 -3.412 4.776 12.509 1.00 0.00 C ATOM 527 OD1 ASP A 36 -3.544 5.773 13.250 1.00 0.00 O ATOM 528 OD2 ASP A 36 -3.592 3.604 12.899 1.00 0.00 O ATOM 0 H ASP A 36 -5.738 3.911 10.023 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.961 5.859 10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.522 4.105 10.682 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.285 5.809 11.011 1.00 0.00 H new ATOM 533 N ILE A 37 -4.639 6.420 8.045 1.00 0.00 N ATOM 534 CA ILE A 37 -4.341 7.274 6.902 1.00 0.00 C ATOM 535 C ILE A 37 -4.386 8.748 7.290 1.00 0.00 C ATOM 536 O ILE A 37 -5.398 9.235 7.794 1.00 0.00 O ATOM 537 CB ILE A 37 -5.326 7.028 5.744 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.077 5.656 5.115 1.00 0.00 C ATOM 539 CG2 ILE A 37 -5.199 8.127 4.699 1.00 0.00 C ATOM 540 CD1 ILE A 37 -5.853 5.427 3.837 1.00 0.00 C ATOM 0 H ILE A 37 -5.553 5.969 8.008 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.334 7.019 6.572 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.341 7.045 6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.012 5.548 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.342 4.882 5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.901 7.940 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.422 9.091 5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.183 8.138 4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.627 4.434 3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.921 5.502 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.571 6.179 3.100 1.00 0.00 H new ATOM 552 N GLU A 38 -3.285 9.452 7.050 1.00 0.00 N ATOM 553 CA GLU A 38 -3.200 10.871 7.374 1.00 0.00 C ATOM 554 C GLU A 38 -3.927 11.712 6.329 1.00 0.00 C ATOM 555 O GLU A 38 -3.911 11.414 5.134 1.00 0.00 O ATOM 556 CB GLU A 38 -1.737 11.309 7.469 1.00 0.00 C ATOM 557 CG GLU A 38 -1.076 10.940 8.786 1.00 0.00 C ATOM 558 CD GLU A 38 -1.369 11.942 9.886 1.00 0.00 C ATOM 559 OE1 GLU A 38 -2.401 11.785 10.572 1.00 0.00 O ATOM 560 OE2 GLU A 38 -0.566 12.882 10.062 1.00 0.00 O ATOM 0 H GLU A 38 -2.440 9.063 6.632 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.681 11.026 8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.177 10.855 6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.680 12.389 7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.420 9.954 9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.002 10.871 8.640 1.00 0.00 H new ATOM 567 N PRO A 39 -4.583 12.788 6.787 1.00 0.00 N ATOM 568 CA PRO A 39 -5.329 13.695 5.909 1.00 0.00 C ATOM 569 C PRO A 39 -4.411 14.515 5.009 1.00 0.00 C ATOM 570 O PRO A 39 -3.241 14.726 5.325 1.00 0.00 O ATOM 571 CB PRO A 39 -6.071 14.607 6.889 1.00 0.00 C ATOM 572 CG PRO A 39 -5.247 14.581 8.130 1.00 0.00 C ATOM 573 CD PRO A 39 -4.645 13.204 8.199 1.00 0.00 C ATOM 0 HA PRO A 39 -5.986 13.154 5.228 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.162 15.619 6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.082 14.246 7.078 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.470 15.345 8.099 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.859 14.784 9.009 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.656 13.220 8.657 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.259 12.526 8.791 1.00 0.00 H new ATOM 581 N GLY A 40 -4.951 14.977 3.885 1.00 0.00 N ATOM 582 CA GLY A 40 -4.166 15.770 2.957 1.00 0.00 C ATOM 583 C GLY A 40 -2.735 15.283 2.845 1.00 0.00 C ATOM 584 O GLY A 40 -1.831 16.059 2.535 1.00 0.00 O ATOM 0 H GLY A 40 -5.917 14.816 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.634 15.742 1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.168 16.811 3.281 1.00 0.00 H new ATOM 588 N SER A 41 -2.528 13.995 3.098 1.00 0.00 N ATOM 589 CA SER A 41 -1.195 13.407 3.029 1.00 0.00 C ATOM 590 C SER A 41 -0.978 12.708 1.691 1.00 0.00 C ATOM 591 O SER A 41 -1.921 12.281 1.025 1.00 0.00 O ATOM 592 CB SER A 41 -0.993 12.414 4.175 1.00 0.00 C ATOM 593 OG SER A 41 -1.620 11.175 3.892 1.00 0.00 O ATOM 0 H SER A 41 -3.266 13.338 3.353 1.00 0.00 H new ATOM 0 HA SER A 41 -0.465 14.211 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.073 12.257 4.340 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.401 12.829 5.097 1.00 0.00 H new ATOM 0 HG SER A 41 -2.443 11.097 4.418 1.00 0.00 H new ATOM 599 N PRO A 42 0.295 12.587 1.287 1.00 0.00 N ATOM 600 CA PRO A 42 0.667 11.940 0.025 1.00 0.00 C ATOM 601 C PRO A 42 -0.027 10.596 -0.164 1.00 0.00 C ATOM 602 O PRO A 42 -0.223 10.140 -1.290 1.00 0.00 O ATOM 603 CB PRO A 42 2.180 11.746 0.159 1.00 0.00 C ATOM 604 CG PRO A 42 2.616 12.812 1.103 1.00 0.00 C ATOM 605 CD PRO A 42 1.469 13.073 2.031 1.00 0.00 C ATOM 0 HA PRO A 42 0.374 12.535 -0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.420 10.755 0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.679 11.843 -0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.498 12.496 1.660 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.888 13.718 0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.591 12.543 2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.381 14.133 2.269 1.00 0.00 H new ATOM 613 N ALA A 43 -0.399 9.966 0.946 1.00 0.00 N ATOM 614 CA ALA A 43 -1.074 8.675 0.902 1.00 0.00 C ATOM 615 C ALA A 43 -2.560 8.842 0.604 1.00 0.00 C ATOM 616 O ALA A 43 -3.123 8.119 -0.217 1.00 0.00 O ATOM 617 CB ALA A 43 -0.878 7.931 2.215 1.00 0.00 C ATOM 0 H ALA A 43 -0.244 10.329 1.887 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.632 8.090 0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.388 6.969 2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.186 7.770 2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.292 8.521 3.033 1.00 0.00 H new ATOM 623 N GLU A 44 -3.190 9.801 1.277 1.00 0.00 N ATOM 624 CA GLU A 44 -4.612 10.061 1.084 1.00 0.00 C ATOM 625 C GLU A 44 -4.872 10.665 -0.293 1.00 0.00 C ATOM 626 O GLU A 44 -5.823 10.290 -0.977 1.00 0.00 O ATOM 627 CB GLU A 44 -5.133 11.001 2.172 1.00 0.00 C ATOM 628 CG GLU A 44 -6.549 11.493 1.925 1.00 0.00 C ATOM 629 CD GLU A 44 -6.617 12.557 0.847 1.00 0.00 C ATOM 630 OE1 GLU A 44 -5.850 13.538 0.934 1.00 0.00 O ATOM 631 OE2 GLU A 44 -7.437 12.409 -0.083 1.00 0.00 O ATOM 0 H GLU A 44 -2.738 10.410 1.960 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.142 9.111 1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.099 10.486 3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.467 11.860 2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.178 10.650 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.957 11.894 2.853 1.00 0.00 H new ATOM 638 N ALA A 45 -4.020 11.604 -0.692 1.00 0.00 N ATOM 639 CA ALA A 45 -4.156 12.259 -1.986 1.00 0.00 C ATOM 640 C ALA A 45 -3.828 11.300 -3.125 1.00 0.00 C ATOM 641 O ALA A 45 -4.334 11.446 -4.237 1.00 0.00 O ATOM 642 CB ALA A 45 -3.259 13.487 -2.053 1.00 0.00 C ATOM 0 H ALA A 45 -3.228 11.928 -0.137 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.194 12.573 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.371 13.967 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.543 14.188 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.220 13.187 -1.914 1.00 0.00 H new ATOM 648 N ALA A 46 -2.979 10.318 -2.840 1.00 0.00 N ATOM 649 CA ALA A 46 -2.585 9.334 -3.840 1.00 0.00 C ATOM 650 C ALA A 46 -3.789 8.536 -4.329 1.00 0.00 C ATOM 651 O ALA A 46 -3.806 8.049 -5.459 1.00 0.00 O ATOM 652 CB ALA A 46 -1.526 8.400 -3.273 1.00 0.00 C ATOM 0 H ALA A 46 -2.551 10.183 -1.924 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.165 9.867 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.241 7.670 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.650 8.979 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.927 7.881 -2.402 1.00 0.00 H new ATOM 658 N GLY A 47 -4.796 8.406 -3.470 1.00 0.00 N ATOM 659 CA GLY A 47 -5.990 7.666 -3.833 1.00 0.00 C ATOM 660 C GLY A 47 -6.164 6.406 -3.008 1.00 0.00 C ATOM 661 O GLY A 47 -7.050 5.594 -3.281 1.00 0.00 O ATOM 0 H GLY A 47 -4.806 8.800 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.863 8.305 -3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.943 7.401 -4.889 1.00 0.00 H new ATOM 665 N LEU A 48 -5.318 6.241 -1.998 1.00 0.00 N ATOM 666 CA LEU A 48 -5.381 5.069 -1.131 1.00 0.00 C ATOM 667 C LEU A 48 -6.729 4.990 -0.420 1.00 0.00 C ATOM 668 O LEU A 48 -7.627 5.792 -0.677 1.00 0.00 O ATOM 669 CB LEU A 48 -4.251 5.110 -0.102 1.00 0.00 C ATOM 670 CG LEU A 48 -2.939 4.443 -0.518 1.00 0.00 C ATOM 671 CD1 LEU A 48 -1.959 4.423 0.644 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.197 3.031 -1.025 1.00 0.00 C ATOM 0 H LEU A 48 -4.580 6.903 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.266 4.181 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.044 6.153 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.603 4.634 0.813 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.498 5.024 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.031 3.945 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.751 5.445 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.391 3.865 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.253 2.571 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.660 2.440 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.863 3.070 -1.887 1.00 0.00 H new ATOM 684 N LYS A 49 -6.863 4.018 0.476 1.00 0.00 N ATOM 685 CA LYS A 49 -8.099 3.835 1.227 1.00 0.00 C ATOM 686 C LYS A 49 -7.876 2.917 2.425 1.00 0.00 C ATOM 687 O LYS A 49 -7.125 1.946 2.344 1.00 0.00 O ATOM 688 CB LYS A 49 -9.189 3.255 0.323 1.00 0.00 C ATOM 689 CG LYS A 49 -9.852 4.290 -0.570 1.00 0.00 C ATOM 690 CD LYS A 49 -11.261 3.872 -0.957 1.00 0.00 C ATOM 691 CE LYS A 49 -11.249 2.827 -2.062 1.00 0.00 C ATOM 692 NZ LYS A 49 -12.477 2.893 -2.901 1.00 0.00 N ATOM 0 H LYS A 49 -6.130 3.345 0.700 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.420 4.810 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.755 2.474 -0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.950 2.781 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.885 5.250 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.254 4.432 -1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.776 3.473 -0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.823 4.746 -1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.371 2.974 -2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.163 1.834 -1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.430 2.165 -3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.314 2.728 -2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.546 3.832 -3.342 1.00 0.00 H new ATOM 706 N ASN A 50 -8.535 3.231 3.536 1.00 0.00 N ATOM 707 CA ASN A 50 -8.410 2.433 4.750 1.00 0.00 C ATOM 708 C ASN A 50 -8.821 0.986 4.495 1.00 0.00 C ATOM 709 O ASN A 50 -9.502 0.687 3.516 1.00 0.00 O ATOM 710 CB ASN A 50 -9.268 3.029 5.868 1.00 0.00 C ATOM 711 CG ASN A 50 -8.826 4.428 6.252 1.00 0.00 C ATOM 712 OD1 ASN A 50 -7.619 4.540 6.794 1.00 0.00 O flip ATOM 713 ND2 ASN A 50 -9.562 5.397 6.062 1.00 0.00 N flip ATOM 0 H ASN A 50 -9.161 4.032 3.620 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.364 2.446 5.057 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.310 3.055 5.548 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.219 2.382 6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.482 5.264 5.642 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.251 6.333 6.324 1.00 0.00 H new ATOM 720 N ASN A 51 -8.401 0.092 5.385 1.00 0.00 N ATOM 721 CA ASN A 51 -8.726 -1.324 5.257 1.00 0.00 C ATOM 722 C ASN A 51 -8.366 -1.841 3.868 1.00 0.00 C ATOM 723 O ASN A 51 -9.016 -2.745 3.342 1.00 0.00 O ATOM 724 CB ASN A 51 -10.214 -1.555 5.530 1.00 0.00 C ATOM 725 CG ASN A 51 -11.088 -1.117 4.370 1.00 0.00 C ATOM 726 OD1 ASN A 51 -11.669 0.071 4.483 1.00 0.00 O flip ATOM 727 ND2 ASN A 51 -11.239 -1.840 3.385 1.00 0.00 N flip ATOM 0 H ASN A 51 -7.835 0.323 6.202 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.139 -1.873 5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.384 -2.613 5.731 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.505 -1.009 6.427 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.773 -2.746 3.341 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.830 -1.533 2.613 1.00 0.00 H new ATOM 734 N ASP A 52 -7.325 -1.262 3.279 1.00 0.00 N ATOM 735 CA ASP A 52 -6.877 -1.665 1.951 1.00 0.00 C ATOM 736 C ASP A 52 -5.860 -2.799 2.041 1.00 0.00 C ATOM 737 O ASP A 52 -4.861 -2.695 2.755 1.00 0.00 O ATOM 738 CB ASP A 52 -6.266 -0.473 1.212 1.00 0.00 C ATOM 739 CG ASP A 52 -7.294 0.296 0.405 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.481 -0.090 0.434 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.911 1.285 -0.254 1.00 0.00 O ATOM 0 H ASP A 52 -6.776 -0.513 3.700 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.744 -2.022 1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.799 0.197 1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.477 -0.826 0.548 1.00 0.00 H new ATOM 746 N LEU A 53 -6.120 -3.880 1.315 1.00 0.00 N ATOM 747 CA LEU A 53 -5.228 -5.034 1.314 1.00 0.00 C ATOM 748 C LEU A 53 -4.279 -4.987 0.121 1.00 0.00 C ATOM 749 O LEU A 53 -4.702 -5.109 -1.029 1.00 0.00 O ATOM 750 CB LEU A 53 -6.040 -6.331 1.283 1.00 0.00 C ATOM 751 CG LEU A 53 -5.232 -7.629 1.317 1.00 0.00 C ATOM 752 CD1 LEU A 53 -4.770 -8.007 -0.081 1.00 0.00 C ATOM 753 CD2 LEU A 53 -4.042 -7.492 2.255 1.00 0.00 C ATOM 0 H LEU A 53 -6.942 -3.982 0.719 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.635 -5.005 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.723 -6.329 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.653 -6.331 0.382 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.875 -8.425 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.197 -8.933 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.638 -8.148 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.144 -7.212 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.479 -8.425 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.398 -6.683 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.396 -7.269 3.262 1.00 0.00 H new ATOM 765 N VAL A 54 -2.991 -4.811 0.402 1.00 0.00 N ATOM 766 CA VAL A 54 -1.981 -4.751 -0.647 1.00 0.00 C ATOM 767 C VAL A 54 -1.346 -6.118 -0.877 1.00 0.00 C ATOM 768 O VAL A 54 -0.793 -6.721 0.044 1.00 0.00 O ATOM 769 CB VAL A 54 -0.875 -3.735 -0.304 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.134 -3.641 -1.438 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.480 -2.372 -0.003 1.00 0.00 C ATOM 0 H VAL A 54 -2.623 -4.708 1.348 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.489 -4.431 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.352 -4.080 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.908 -2.919 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.590 -4.618 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.371 -3.319 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.685 -1.666 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.029 -2.017 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.160 -2.455 0.845 1.00 0.00 H new ATOM 781 N VAL A 55 -1.428 -6.603 -2.112 1.00 0.00 N ATOM 782 CA VAL A 55 -0.860 -7.899 -2.464 1.00 0.00 C ATOM 783 C VAL A 55 0.480 -7.737 -3.173 1.00 0.00 C ATOM 784 O VAL A 55 1.302 -8.652 -3.185 1.00 0.00 O ATOM 785 CB VAL A 55 -1.813 -8.702 -3.368 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.051 -9.128 -2.594 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.195 -7.889 -4.595 1.00 0.00 C ATOM 0 H VAL A 55 -1.882 -6.118 -2.886 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.711 -8.443 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.296 -9.601 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.713 -9.694 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.756 -9.751 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.573 -8.244 -2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.869 -8.472 -5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.693 -6.971 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.297 -7.640 -5.161 1.00 0.00 H new ATOM 797 N ALA A 56 0.693 -6.566 -3.764 1.00 0.00 N ATOM 798 CA ALA A 56 1.934 -6.282 -4.474 1.00 0.00 C ATOM 799 C ALA A 56 2.399 -4.853 -4.217 1.00 0.00 C ATOM 800 O ALA A 56 1.590 -3.965 -3.949 1.00 0.00 O ATOM 801 CB ALA A 56 1.755 -6.521 -5.966 1.00 0.00 C ATOM 0 H ALA A 56 0.022 -5.798 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 56 2.702 -6.959 -4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.690 -6.305 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.477 -7.561 -6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.970 -5.868 -6.347 1.00 0.00 H new ATOM 807 N VAL A 57 3.709 -4.638 -4.299 1.00 0.00 N ATOM 808 CA VAL A 57 4.282 -3.316 -4.076 1.00 0.00 C ATOM 809 C VAL A 57 5.374 -3.011 -5.095 1.00 0.00 C ATOM 810 O VAL A 57 6.439 -3.627 -5.082 1.00 0.00 O ATOM 811 CB VAL A 57 4.869 -3.191 -2.658 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.422 -1.793 -2.430 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.818 -3.535 -1.614 1.00 0.00 C ATOM 0 H VAL A 57 4.393 -5.362 -4.518 1.00 0.00 H new ATOM 0 HA VAL A 57 3.471 -2.596 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 57 5.691 -3.901 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.832 -1.724 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.208 -1.590 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.622 -1.062 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.250 -3.441 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.974 -2.852 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.475 -4.559 -1.766 1.00 0.00 H new ATOM 823 N ASN A 58 5.101 -2.057 -5.979 1.00 0.00 N ATOM 824 CA ASN A 58 6.061 -1.669 -7.006 1.00 0.00 C ATOM 825 C ASN A 58 6.254 -2.792 -8.021 1.00 0.00 C ATOM 826 O ASN A 58 7.348 -2.982 -8.552 1.00 0.00 O ATOM 827 CB ASN A 58 7.404 -1.307 -6.369 1.00 0.00 C ATOM 828 CG ASN A 58 7.245 -0.400 -5.164 1.00 0.00 C ATOM 829 OD1 ASN A 58 6.170 0.148 -4.922 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.320 -0.237 -4.400 1.00 0.00 N ATOM 0 H ASN A 58 4.223 -1.538 -6.005 1.00 0.00 H new ATOM 0 HA ASN A 58 5.666 -0.796 -7.526 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.918 -2.220 -6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.034 -0.815 -7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.274 0.362 -3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.191 -0.711 -4.638 1.00 0.00 H new ATOM 837 N GLY A 59 5.183 -3.533 -8.287 1.00 0.00 N ATOM 838 CA GLY A 59 5.255 -4.628 -9.237 1.00 0.00 C ATOM 839 C GLY A 59 6.012 -5.822 -8.691 1.00 0.00 C ATOM 840 O GLY A 59 6.845 -6.407 -9.382 1.00 0.00 O ATOM 0 H GLY A 59 4.266 -3.395 -7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.245 -4.936 -9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.739 -4.281 -10.150 1.00 0.00 H new ATOM 844 N LYS A 60 5.724 -6.183 -7.445 1.00 0.00 N ATOM 845 CA LYS A 60 6.383 -7.315 -6.804 1.00 0.00 C ATOM 846 C LYS A 60 5.487 -7.933 -5.736 1.00 0.00 C ATOM 847 O LYS A 60 5.089 -7.263 -4.782 1.00 0.00 O ATOM 848 CB LYS A 60 7.709 -6.873 -6.180 1.00 0.00 C ATOM 849 CG LYS A 60 8.639 -6.177 -7.159 1.00 0.00 C ATOM 850 CD LYS A 60 10.063 -6.123 -6.631 1.00 0.00 C ATOM 851 CE LYS A 60 10.934 -5.201 -7.471 1.00 0.00 C ATOM 852 NZ LYS A 60 11.053 -5.678 -8.877 1.00 0.00 N ATOM 0 H LYS A 60 5.038 -5.708 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 60 6.581 -8.068 -7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.503 -6.201 -5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.216 -7.746 -5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.623 -6.703 -8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.281 -5.165 -7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.056 -5.777 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.490 -7.126 -6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.512 -4.196 -7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.926 -5.133 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.708 -5.061 -9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.416 -6.653 -8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.118 -5.654 -9.332 1.00 0.00 H new ATOM 866 N SER A 61 5.175 -9.214 -5.900 1.00 0.00 N ATOM 867 CA SER A 61 4.324 -9.922 -4.951 1.00 0.00 C ATOM 868 C SER A 61 4.872 -9.797 -3.532 1.00 0.00 C ATOM 869 O SER A 61 5.895 -10.393 -3.195 1.00 0.00 O ATOM 870 CB SER A 61 4.209 -11.398 -5.337 1.00 0.00 C ATOM 871 OG SER A 61 4.229 -11.559 -6.745 1.00 0.00 O ATOM 0 H SER A 61 5.499 -9.783 -6.682 1.00 0.00 H new ATOM 0 HA SER A 61 3.333 -9.468 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.031 -11.959 -4.892 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.285 -11.812 -4.933 1.00 0.00 H new ATOM 0 HG SER A 61 4.156 -12.511 -6.966 1.00 0.00 H new ATOM 877 N VAL A 62 4.184 -9.018 -2.705 1.00 0.00 N ATOM 878 CA VAL A 62 4.600 -8.815 -1.322 1.00 0.00 C ATOM 879 C VAL A 62 3.711 -9.596 -0.361 1.00 0.00 C ATOM 880 O VAL A 62 4.123 -9.925 0.751 1.00 0.00 O ATOM 881 CB VAL A 62 4.565 -7.323 -0.939 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.215 -6.478 -2.024 1.00 0.00 C ATOM 883 CG2 VAL A 62 3.135 -6.872 -0.685 1.00 0.00 C ATOM 0 H VAL A 62 3.336 -8.517 -2.968 1.00 0.00 H new ATOM 0 HA VAL A 62 5.624 -9.179 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 62 5.133 -7.188 -0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.181 -5.427 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.253 -6.786 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.678 -6.615 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.129 -5.816 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.541 -7.020 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.708 -7.457 0.130 1.00 0.00 H new ATOM 893 N GLU A 63 2.490 -9.889 -0.797 1.00 0.00 N ATOM 894 CA GLU A 63 1.544 -10.632 0.026 1.00 0.00 C ATOM 895 C GLU A 63 2.218 -11.835 0.681 1.00 0.00 C ATOM 896 O GLU A 63 1.792 -12.299 1.738 1.00 0.00 O ATOM 897 CB GLU A 63 0.355 -11.098 -0.818 1.00 0.00 C ATOM 898 CG GLU A 63 0.556 -12.464 -1.451 1.00 0.00 C ATOM 899 CD GLU A 63 -0.415 -12.731 -2.585 1.00 0.00 C ATOM 900 OE1 GLU A 63 -0.280 -12.086 -3.646 1.00 0.00 O ATOM 901 OE2 GLU A 63 -1.309 -13.585 -2.411 1.00 0.00 O ATOM 0 H GLU A 63 2.133 -9.623 -1.715 1.00 0.00 H new ATOM 0 HA GLU A 63 1.185 -9.966 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.536 -11.125 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.170 -10.366 -1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.577 -12.540 -1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.439 -13.234 -0.689 1.00 0.00 H new ATOM 908 N ALA A 64 3.273 -12.333 0.044 1.00 0.00 N ATOM 909 CA ALA A 64 4.008 -13.479 0.564 1.00 0.00 C ATOM 910 C ALA A 64 4.917 -13.071 1.718 1.00 0.00 C ATOM 911 O ALA A 64 5.092 -13.821 2.680 1.00 0.00 O ATOM 912 CB ALA A 64 4.819 -14.133 -0.544 1.00 0.00 C ATOM 0 H ALA A 64 3.637 -11.961 -0.833 1.00 0.00 H new ATOM 0 HA ALA A 64 3.285 -14.201 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.363 -14.987 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.149 -14.470 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.527 -13.411 -0.951 1.00 0.00 H new ATOM 918 N LEU A 65 5.495 -11.879 1.617 1.00 0.00 N ATOM 919 CA LEU A 65 6.388 -11.371 2.652 1.00 0.00 C ATOM 920 C LEU A 65 5.614 -11.042 3.925 1.00 0.00 C ATOM 921 O LEU A 65 4.383 -11.025 3.928 1.00 0.00 O ATOM 922 CB LEU A 65 7.124 -10.127 2.153 1.00 0.00 C ATOM 923 CG LEU A 65 8.408 -10.379 1.362 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.887 -9.096 0.699 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.489 -10.949 2.268 1.00 0.00 C ATOM 0 H LEU A 65 5.361 -11.246 0.828 1.00 0.00 H new ATOM 0 HA LEU A 65 7.117 -12.148 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.442 -9.553 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.367 -9.504 3.013 1.00 0.00 H new ATOM 0 HG LEU A 65 8.194 -11.109 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.802 -9.295 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.119 -8.729 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.084 -8.344 1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.396 -11.122 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.701 -10.243 3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.146 -11.891 2.695 1.00 0.00 H new ATOM 937 N ASP A 66 6.344 -10.778 5.003 1.00 0.00 N ATOM 938 CA ASP A 66 5.726 -10.445 6.282 1.00 0.00 C ATOM 939 C ASP A 66 5.674 -8.934 6.483 1.00 0.00 C ATOM 940 O ASP A 66 6.084 -8.167 5.611 1.00 0.00 O ATOM 941 CB ASP A 66 6.497 -11.099 7.430 1.00 0.00 C ATOM 942 CG ASP A 66 6.823 -12.554 7.153 1.00 0.00 C ATOM 943 OD1 ASP A 66 7.712 -12.813 6.316 1.00 0.00 O ATOM 944 OD2 ASP A 66 6.190 -13.433 7.775 1.00 0.00 O ATOM 0 H ASP A 66 7.364 -10.788 5.017 1.00 0.00 H new ATOM 0 HA ASP A 66 4.705 -10.828 6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.422 -10.549 7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.909 -11.029 8.345 1.00 0.00 H new ATOM 949 N HIS A 67 5.167 -8.513 7.637 1.00 0.00 N ATOM 950 CA HIS A 67 5.061 -7.093 7.953 1.00 0.00 C ATOM 951 C HIS A 67 6.335 -6.352 7.560 1.00 0.00 C ATOM 952 O HIS A 67 6.286 -5.342 6.858 1.00 0.00 O ATOM 953 CB HIS A 67 4.784 -6.900 9.445 1.00 0.00 C ATOM 954 CG HIS A 67 4.690 -5.463 9.855 1.00 0.00 C ATOM 955 ND1 HIS A 67 5.495 -4.410 9.581 1.00 0.00 N flip ATOM 956 CD2 HIS A 67 3.673 -4.971 10.646 1.00 0.00 C flip ATOM 957 CE1 HIS A 67 4.954 -3.312 10.204 1.00 0.00 C flip ATOM 958 NE2 HIS A 67 3.856 -3.677 10.840 1.00 0.00 N flip ATOM 0 H HIS A 67 4.823 -9.135 8.369 1.00 0.00 H new ATOM 0 HA HIS A 67 4.231 -6.680 7.381 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.852 -7.404 9.701 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.576 -7.382 10.019 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.855 -5.553 11.045 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.361 -2.312 10.178 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.252 -3.064 11.388 1.00 0.00 H new ATOM 967 N ASP A 68 7.474 -6.861 8.018 1.00 0.00 N ATOM 968 CA ASP A 68 8.762 -6.247 7.714 1.00 0.00 C ATOM 969 C ASP A 68 9.041 -6.285 6.214 1.00 0.00 C ATOM 970 O ASP A 68 9.221 -5.247 5.580 1.00 0.00 O ATOM 971 CB ASP A 68 9.882 -6.960 8.472 1.00 0.00 C ATOM 972 CG ASP A 68 9.703 -6.885 9.975 1.00 0.00 C ATOM 973 OD1 ASP A 68 10.153 -5.887 10.576 1.00 0.00 O ATOM 974 OD2 ASP A 68 9.114 -7.823 10.551 1.00 0.00 O ATOM 0 H ASP A 68 7.532 -7.696 8.601 1.00 0.00 H new ATOM 0 HA ASP A 68 8.725 -5.205 8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.916 -8.005 8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.840 -6.516 8.201 1.00 0.00 H new ATOM 979 N GLY A 69 9.077 -7.491 5.654 1.00 0.00 N ATOM 980 CA GLY A 69 9.336 -7.642 4.234 1.00 0.00 C ATOM 981 C GLY A 69 8.610 -6.606 3.399 1.00 0.00 C ATOM 982 O GLY A 69 9.236 -5.835 2.671 1.00 0.00 O ATOM 0 H GLY A 69 8.931 -8.365 6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.408 -7.564 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.031 -8.639 3.916 1.00 0.00 H new ATOM 986 N VAL A 70 7.285 -6.588 3.502 1.00 0.00 N ATOM 987 CA VAL A 70 6.472 -5.639 2.750 1.00 0.00 C ATOM 988 C VAL A 70 6.887 -4.203 3.048 1.00 0.00 C ATOM 989 O VAL A 70 7.456 -3.520 2.196 1.00 0.00 O ATOM 990 CB VAL A 70 4.975 -5.806 3.069 1.00 0.00 C ATOM 991 CG1 VAL A 70 4.135 -4.906 2.176 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.557 -7.261 2.917 1.00 0.00 C ATOM 0 H VAL A 70 6.751 -7.220 4.099 1.00 0.00 H new ATOM 0 HA VAL A 70 6.636 -5.850 1.693 1.00 0.00 H new ATOM 0 HB VAL A 70 4.807 -5.510 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.080 -5.038 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.417 -3.866 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.305 -5.168 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.496 -7.361 3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.739 -7.587 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.136 -7.879 3.603 1.00 0.00 H new ATOM 1002 N VAL A 71 6.599 -3.750 4.264 1.00 0.00 N ATOM 1003 CA VAL A 71 6.943 -2.394 4.676 1.00 0.00 C ATOM 1004 C VAL A 71 8.344 -2.016 4.207 1.00 0.00 C ATOM 1005 O VAL A 71 8.619 -0.852 3.919 1.00 0.00 O ATOM 1006 CB VAL A 71 6.866 -2.236 6.206 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.403 -0.877 6.630 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.436 -2.428 6.689 1.00 0.00 C ATOM 0 H VAL A 71 6.128 -4.302 4.981 1.00 0.00 H new ATOM 0 HA VAL A 71 6.215 -1.728 4.212 1.00 0.00 H new ATOM 0 HB VAL A 71 7.487 -3.005 6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.341 -0.783 7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.443 -0.783 6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.811 -0.090 6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.399 -2.313 7.772 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.791 -1.683 6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.091 -3.426 6.418 1.00 0.00 H new ATOM 1018 N GLU A 72 9.225 -3.009 4.133 1.00 0.00 N ATOM 1019 CA GLU A 72 10.598 -2.780 3.700 1.00 0.00 C ATOM 1020 C GLU A 72 10.640 -2.321 2.245 1.00 0.00 C ATOM 1021 O GLU A 72 11.307 -1.342 1.910 1.00 0.00 O ATOM 1022 CB GLU A 72 11.429 -4.054 3.869 1.00 0.00 C ATOM 1023 CG GLU A 72 12.927 -3.824 3.749 1.00 0.00 C ATOM 1024 CD GLU A 72 13.554 -3.377 5.055 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.618 -4.197 5.995 1.00 0.00 O ATOM 1026 OE2 GLU A 72 13.982 -2.206 5.137 1.00 0.00 O ATOM 0 H GLU A 72 9.012 -3.979 4.367 1.00 0.00 H new ATOM 0 HA GLU A 72 11.022 -1.993 4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.214 -4.491 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.120 -4.781 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.407 -4.744 3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.115 -3.071 2.983 1.00 0.00 H new ATOM 1033 N MET A 73 9.924 -3.037 1.384 1.00 0.00 N ATOM 1034 CA MET A 73 9.878 -2.704 -0.035 1.00 0.00 C ATOM 1035 C MET A 73 9.666 -1.207 -0.235 1.00 0.00 C ATOM 1036 O MET A 73 10.404 -0.560 -0.980 1.00 0.00 O ATOM 1037 CB MET A 73 8.762 -3.486 -0.729 1.00 0.00 C ATOM 1038 CG MET A 73 9.076 -4.962 -0.910 1.00 0.00 C ATOM 1039 SD MET A 73 8.221 -5.686 -2.323 1.00 0.00 S ATOM 1040 CE MET A 73 9.242 -7.124 -2.636 1.00 0.00 C ATOM 0 H MET A 73 9.368 -3.851 1.644 1.00 0.00 H new ATOM 0 HA MET A 73 10.835 -2.980 -0.478 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.845 -3.387 -0.149 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.571 -3.041 -1.706 1.00 0.00 H new ATOM 0 HG2 MET A 73 10.151 -5.088 -1.037 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.797 -5.502 -0.005 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.717 -7.804 -3.307 1.00 0.00 H new ATOM 0 HE2 MET A 73 10.179 -6.811 -3.096 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.452 -7.633 -1.695 1.00 0.00 H new ATOM 1050 N ILE A 74 8.655 -0.662 0.433 1.00 0.00 N ATOM 1051 CA ILE A 74 8.348 0.759 0.328 1.00 0.00 C ATOM 1052 C ILE A 74 9.558 1.611 0.696 1.00 0.00 C ATOM 1053 O ILE A 74 9.889 2.570 -0.002 1.00 0.00 O ATOM 1054 CB ILE A 74 7.166 1.147 1.236 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.892 0.427 0.788 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.960 2.655 1.222 1.00 0.00 C ATOM 1057 CD1 ILE A 74 5.730 -0.948 1.398 1.00 0.00 C ATOM 0 H ILE A 74 8.035 -1.183 1.053 1.00 0.00 H new ATOM 0 HA ILE A 74 8.076 0.948 -0.710 1.00 0.00 H new ATOM 0 HB ILE A 74 7.395 0.840 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.028 1.037 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.899 0.336 -0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.121 2.914 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.862 3.149 1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.749 2.984 0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.806 -1.400 1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.576 -1.574 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.691 -0.862 2.484 1.00 0.00 H new ATOM 1069 N ARG A 75 10.214 1.255 1.795 1.00 0.00 N ATOM 1070 CA ARG A 75 11.388 1.987 2.254 1.00 0.00 C ATOM 1071 C ARG A 75 12.475 2.000 1.183 1.00 0.00 C ATOM 1072 O ARG A 75 12.961 3.060 0.789 1.00 0.00 O ATOM 1073 CB ARG A 75 11.933 1.363 3.541 1.00 0.00 C ATOM 1074 CG ARG A 75 11.336 1.958 4.806 1.00 0.00 C ATOM 1075 CD ARG A 75 10.012 1.300 5.160 1.00 0.00 C ATOM 1076 NE ARG A 75 10.200 0.005 5.807 1.00 0.00 N ATOM 1077 CZ ARG A 75 10.709 -0.142 7.025 1.00 0.00 C ATOM 1078 NH1 ARG A 75 11.079 0.922 7.725 1.00 0.00 N ATOM 1079 NH2 ARG A 75 10.849 -1.354 7.546 1.00 0.00 N ATOM 0 H ARG A 75 9.953 0.464 2.384 1.00 0.00 H new ATOM 0 HA ARG A 75 11.088 3.015 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.737 0.291 3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 75 13.015 1.489 3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 75 12.036 1.836 5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.186 3.029 4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.446 1.957 5.821 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.418 1.170 4.255 1.00 0.00 H new ATOM 0 HE ARG A 75 9.925 -0.834 5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.973 1.856 7.328 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.470 0.807 8.660 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.566 -2.175 7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.240 -1.465 8.481 1.00 0.00 H new ATOM 1093 N LYS A 76 12.852 0.814 0.716 1.00 0.00 N ATOM 1094 CA LYS A 76 13.880 0.688 -0.310 1.00 0.00 C ATOM 1095 C LYS A 76 13.419 1.311 -1.623 1.00 0.00 C ATOM 1096 O LYS A 76 14.228 1.598 -2.503 1.00 0.00 O ATOM 1097 CB LYS A 76 14.233 -0.785 -0.529 1.00 0.00 C ATOM 1098 CG LYS A 76 13.236 -1.526 -1.404 1.00 0.00 C ATOM 1099 CD LYS A 76 13.814 -2.831 -1.925 1.00 0.00 C ATOM 1100 CE LYS A 76 12.719 -3.836 -2.247 1.00 0.00 C ATOM 1101 NZ LYS A 76 11.631 -3.229 -3.062 1.00 0.00 N ATOM 0 H LYS A 76 12.461 -0.073 1.032 1.00 0.00 H new ATOM 0 HA LYS A 76 14.767 1.221 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.221 -0.849 -0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.295 -1.283 0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.331 -1.730 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.947 -0.894 -2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.406 -2.637 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.490 -3.253 -1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.148 -4.681 -2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.302 -4.228 -1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.956 -3.968 -3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.137 -2.507 -2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.038 -2.787 -3.911 1.00 0.00 H new ATOM 1115 N GLY A 77 12.111 1.520 -1.747 1.00 0.00 N ATOM 1116 CA GLY A 77 11.565 2.110 -2.955 1.00 0.00 C ATOM 1117 C GLY A 77 12.135 3.486 -3.237 1.00 0.00 C ATOM 1118 O GLY A 77 12.242 3.896 -4.392 1.00 0.00 O ATOM 0 H GLY A 77 11.420 1.291 -1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.771 1.454 -3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.481 2.181 -2.863 1.00 0.00 H new ATOM 1122 N GLY A 78 12.502 4.202 -2.178 1.00 0.00 N ATOM 1123 CA GLY A 78 13.058 5.532 -2.339 1.00 0.00 C ATOM 1124 C GLY A 78 12.093 6.620 -1.910 1.00 0.00 C ATOM 1125 O GLY A 78 11.624 6.629 -0.772 1.00 0.00 O ATOM 0 H GLY A 78 12.424 3.884 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.975 5.612 -1.755 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.331 5.684 -3.383 1.00 0.00 H new ATOM 1129 N ASP A 79 11.796 7.538 -2.823 1.00 0.00 N ATOM 1130 CA ASP A 79 10.880 8.636 -2.532 1.00 0.00 C ATOM 1131 C ASP A 79 9.446 8.254 -2.884 1.00 0.00 C ATOM 1132 O ASP A 79 8.537 8.399 -2.066 1.00 0.00 O ATOM 1133 CB ASP A 79 11.292 9.890 -3.306 1.00 0.00 C ATOM 1134 CG ASP A 79 12.621 10.448 -2.838 1.00 0.00 C ATOM 1135 OD1 ASP A 79 13.609 9.685 -2.814 1.00 0.00 O ATOM 1136 OD2 ASP A 79 12.674 11.648 -2.495 1.00 0.00 O ATOM 0 H ASP A 79 12.175 7.544 -3.770 1.00 0.00 H new ATOM 0 HA ASP A 79 10.929 8.845 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.354 9.654 -4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.521 10.652 -3.194 1.00 0.00 H new ATOM 1141 N GLN A 80 9.250 7.768 -4.105 1.00 0.00 N ATOM 1142 CA GLN A 80 7.926 7.368 -4.565 1.00 0.00 C ATOM 1143 C GLN A 80 7.821 5.850 -4.668 1.00 0.00 C ATOM 1144 O GLN A 80 8.818 5.161 -4.891 1.00 0.00 O ATOM 1145 CB GLN A 80 7.619 8.005 -5.921 1.00 0.00 C ATOM 1146 CG GLN A 80 8.235 7.262 -7.096 1.00 0.00 C ATOM 1147 CD GLN A 80 8.067 8.004 -8.408 1.00 0.00 C ATOM 1148 OE1 GLN A 80 8.412 9.181 -8.517 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.536 7.317 -9.412 1.00 0.00 N ATOM 0 H GLN A 80 9.992 7.642 -4.794 1.00 0.00 H new ATOM 0 HA GLN A 80 7.196 7.716 -3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.538 8.049 -6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.982 9.033 -5.921 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.297 7.105 -6.905 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.776 6.277 -7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.265 6.343 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.399 7.763 -10.319 1.00 0.00 H new ATOM 1158 N THR A 81 6.607 5.332 -4.505 1.00 0.00 N ATOM 1159 CA THR A 81 6.372 3.896 -4.578 1.00 0.00 C ATOM 1160 C THR A 81 4.977 3.594 -5.113 1.00 0.00 C ATOM 1161 O THR A 81 4.068 4.418 -5.010 1.00 0.00 O ATOM 1162 CB THR A 81 6.537 3.229 -3.200 1.00 0.00 C ATOM 1163 OG1 THR A 81 5.952 1.922 -3.215 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.886 4.068 -2.111 1.00 0.00 C ATOM 0 H THR A 81 5.771 5.887 -4.321 1.00 0.00 H new ATOM 0 HA THR A 81 7.116 3.488 -5.262 1.00 0.00 H new ATOM 0 HB THR A 81 7.603 3.148 -2.986 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.275 1.428 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.016 3.577 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.353 5.053 -2.082 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.822 4.177 -2.323 1.00 0.00 H new ATOM 1172 N THR A 82 4.813 2.405 -5.686 1.00 0.00 N ATOM 1173 CA THR A 82 3.528 1.994 -6.238 1.00 0.00 C ATOM 1174 C THR A 82 2.909 0.871 -5.413 1.00 0.00 C ATOM 1175 O THR A 82 3.564 -0.128 -5.116 1.00 0.00 O ATOM 1176 CB THR A 82 3.668 1.525 -7.698 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.352 2.519 -8.469 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.304 1.251 -8.312 1.00 0.00 C ATOM 0 H THR A 82 5.554 1.710 -5.780 1.00 0.00 H new ATOM 0 HA THR A 82 2.876 2.867 -6.205 1.00 0.00 H new ATOM 0 HB THR A 82 4.245 0.600 -7.705 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.438 2.212 -9.396 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.429 0.921 -9.343 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.798 0.473 -7.741 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.706 2.162 -8.292 1.00 0.00 H new ATOM 1186 N LEU A 83 1.644 1.042 -5.046 1.00 0.00 N ATOM 1187 CA LEU A 83 0.935 0.042 -4.255 1.00 0.00 C ATOM 1188 C LEU A 83 -0.178 -0.609 -5.070 1.00 0.00 C ATOM 1189 O LEU A 83 -0.715 -0.005 -6.000 1.00 0.00 O ATOM 1190 CB LEU A 83 0.352 0.680 -2.993 1.00 0.00 C ATOM 1191 CG LEU A 83 1.161 1.828 -2.387 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.506 2.325 -1.107 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.593 1.390 -2.120 1.00 0.00 C ATOM 0 H LEU A 83 1.088 1.864 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 83 1.649 -0.730 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.647 1.049 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.238 -0.097 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 83 1.182 2.649 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.095 3.142 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.501 2.680 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.453 1.510 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.153 2.220 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.593 0.552 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.060 1.084 -3.056 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.521 -1.841 -4.714 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.573 -2.574 -5.411 1.00 0.00 C ATOM 1207 C LEU A 84 -2.565 -3.176 -4.421 1.00 0.00 C ATOM 1208 O LEU A 84 -2.310 -4.228 -3.833 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.965 -3.678 -6.277 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.958 -4.576 -7.015 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.742 -3.774 -8.043 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.234 -5.737 -7.682 1.00 0.00 C ATOM 0 H LEU A 84 -0.087 -2.354 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.108 -1.872 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.309 -3.214 -7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.339 -4.306 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.661 -4.982 -6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.444 -4.430 -8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.291 -2.978 -7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.053 -3.339 -8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.957 -6.366 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.508 -5.350 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.718 -6.328 -6.925 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.698 -2.505 -4.243 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.730 -2.975 -3.328 1.00 0.00 C ATOM 1226 C VAL A 85 -5.928 -3.532 -4.089 1.00 0.00 C ATOM 1227 O VAL A 85 -6.203 -3.125 -5.218 1.00 0.00 O ATOM 1228 CB VAL A 85 -5.208 -1.848 -2.393 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -4.025 -1.040 -1.882 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -6.207 -0.951 -3.109 1.00 0.00 C ATOM 0 H VAL A 85 -3.924 -1.633 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.283 -3.768 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.707 -2.298 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.382 -0.249 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.349 -1.694 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.495 -0.598 -2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.535 -0.160 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.735 -0.508 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.068 -1.542 -3.421 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.638 -4.464 -3.463 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.809 -5.077 -4.081 1.00 0.00 C ATOM 1242 C LEU A 86 -9.095 -4.452 -3.551 1.00 0.00 C ATOM 1243 O LEU A 86 -9.151 -3.998 -2.408 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.816 -6.585 -3.821 1.00 0.00 C ATOM 1245 CG LEU A 86 -7.104 -7.449 -4.862 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -8.040 -7.777 -6.015 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -5.853 -6.748 -5.371 1.00 0.00 C ATOM 0 H LEU A 86 -6.424 -4.812 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.757 -4.900 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.356 -6.768 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.852 -6.916 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.805 -8.384 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.515 -8.393 -6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.906 -8.321 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.371 -6.853 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.359 -7.377 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.129 -5.798 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.174 -6.566 -4.538 1.00 0.00 H new ATOM 1259 N ASP A 87 -10.126 -4.434 -4.388 1.00 0.00 N ATOM 1260 CA ASP A 87 -11.414 -3.867 -4.002 1.00 0.00 C ATOM 1261 C ASP A 87 -12.360 -4.956 -3.507 1.00 0.00 C ATOM 1262 O ASP A 87 -12.770 -4.957 -2.346 1.00 0.00 O ATOM 1263 CB ASP A 87 -12.042 -3.126 -5.183 1.00 0.00 C ATOM 1264 CG ASP A 87 -11.357 -1.804 -5.468 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -10.317 -1.811 -6.159 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -11.861 -0.761 -5.000 1.00 0.00 O ATOM 0 H ASP A 87 -10.096 -4.805 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.245 -3.161 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.993 -3.756 -6.071 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.097 -2.948 -4.977 1.00 0.00 H new ATOM 1271 N LYS A 88 -12.705 -5.882 -4.396 1.00 0.00 N ATOM 1272 CA LYS A 88 -13.604 -6.977 -4.051 1.00 0.00 C ATOM 1273 C LYS A 88 -13.059 -7.777 -2.872 1.00 0.00 C ATOM 1274 O LYS A 88 -13.797 -8.119 -1.949 1.00 0.00 O ATOM 1275 CB LYS A 88 -13.805 -7.898 -5.256 1.00 0.00 C ATOM 1276 CG LYS A 88 -15.076 -8.726 -5.184 1.00 0.00 C ATOM 1277 CD LYS A 88 -16.287 -7.928 -5.638 1.00 0.00 C ATOM 1278 CE LYS A 88 -17.558 -8.761 -5.577 1.00 0.00 C ATOM 1279 NZ LYS A 88 -17.619 -9.763 -6.677 1.00 0.00 N ATOM 0 H LYS A 88 -12.375 -5.896 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.565 -6.549 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.825 -7.295 -6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -12.949 -8.568 -5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -14.969 -9.614 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.229 -9.071 -4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.399 -7.045 -5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.130 -7.575 -6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.611 -9.273 -4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.426 -8.104 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.500 -10.310 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.595 -9.273 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.805 -10.406 -6.606 1.00 0.00 H new ATOM 1293 N GLU A 89 -11.763 -8.069 -2.909 1.00 0.00 N ATOM 1294 CA GLU A 89 -11.120 -8.828 -1.843 1.00 0.00 C ATOM 1295 C GLU A 89 -10.586 -7.897 -0.758 1.00 0.00 C ATOM 1296 O GLU A 89 -9.524 -8.139 -0.185 1.00 0.00 O ATOM 1297 CB GLU A 89 -9.980 -9.678 -2.407 1.00 0.00 C ATOM 1298 CG GLU A 89 -10.424 -10.654 -3.484 1.00 0.00 C ATOM 1299 CD GLU A 89 -11.523 -11.585 -3.011 1.00 0.00 C ATOM 1300 OE1 GLU A 89 -11.312 -12.289 -2.002 1.00 0.00 O ATOM 1301 OE2 GLU A 89 -12.596 -11.608 -3.652 1.00 0.00 O ATOM 0 H GLU A 89 -11.138 -7.792 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.868 -9.485 -1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.216 -9.019 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.516 -10.235 -1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.774 -10.096 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.568 -11.245 -3.809 1.00 0.00 H new ATOM 1308 N ALA A 90 -11.330 -6.831 -0.483 1.00 0.00 N ATOM 1309 CA ALA A 90 -10.933 -5.864 0.533 1.00 0.00 C ATOM 1310 C ALA A 90 -11.685 -6.099 1.839 1.00 0.00 C ATOM 1311 O ALA A 90 -11.083 -6.150 2.911 1.00 0.00 O ATOM 1312 CB ALA A 90 -11.171 -4.446 0.034 1.00 0.00 C ATOM 0 H ALA A 90 -12.211 -6.615 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.869 -5.996 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.870 -3.734 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.584 -4.275 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.229 -4.312 -0.190 1.00 0.00 H new ATOM 1318 N GLU A 91 -13.003 -6.242 1.740 1.00 0.00 N ATOM 1319 CA GLU A 91 -13.836 -6.471 2.915 1.00 0.00 C ATOM 1320 C GLU A 91 -13.254 -7.578 3.788 1.00 0.00 C ATOM 1321 O GLU A 91 -12.639 -8.520 3.286 1.00 0.00 O ATOM 1322 CB GLU A 91 -15.262 -6.834 2.494 1.00 0.00 C ATOM 1323 CG GLU A 91 -16.005 -5.696 1.816 1.00 0.00 C ATOM 1324 CD GLU A 91 -17.297 -6.149 1.163 1.00 0.00 C ATOM 1325 OE1 GLU A 91 -18.136 -6.751 1.866 1.00 0.00 O ATOM 1326 OE2 GLU A 91 -17.468 -5.903 -0.049 1.00 0.00 O ATOM 0 H GLU A 91 -13.516 -6.203 0.859 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.860 -5.549 3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.226 -7.687 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.822 -7.149 3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.226 -4.922 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.360 -5.244 1.062 1.00 0.00 H new ATOM 1333 N SER A 92 -13.450 -7.458 5.097 1.00 0.00 N ATOM 1334 CA SER A 92 -12.941 -8.446 6.041 1.00 0.00 C ATOM 1335 C SER A 92 -14.076 -9.044 6.866 1.00 0.00 C ATOM 1336 O SER A 92 -14.868 -8.319 7.470 1.00 0.00 O ATOM 1337 CB SER A 92 -11.902 -7.810 6.966 1.00 0.00 C ATOM 1338 OG SER A 92 -11.542 -8.695 8.013 1.00 0.00 O ATOM 0 H SER A 92 -13.958 -6.686 5.528 1.00 0.00 H new ATOM 0 HA SER A 92 -12.468 -9.247 5.472 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.015 -7.541 6.392 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.301 -6.887 7.387 1.00 0.00 H new ATOM 0 HG SER A 92 -10.876 -8.266 8.589 1.00 0.00 H new ATOM 1344 N ILE A 93 -14.149 -10.371 6.887 1.00 0.00 N ATOM 1345 CA ILE A 93 -15.186 -11.067 7.638 1.00 0.00 C ATOM 1346 C ILE A 93 -15.332 -10.486 9.041 1.00 0.00 C ATOM 1347 O ILE A 93 -14.356 -10.042 9.645 1.00 0.00 O ATOM 1348 CB ILE A 93 -14.886 -12.573 7.748 1.00 0.00 C ATOM 1349 CG1 ILE A 93 -13.554 -12.800 8.467 1.00 0.00 C ATOM 1350 CG2 ILE A 93 -14.864 -13.211 6.367 1.00 0.00 C ATOM 1351 CD1 ILE A 93 -13.691 -12.919 9.969 1.00 0.00 C ATOM 0 H ILE A 93 -13.502 -10.985 6.392 1.00 0.00 H new ATOM 0 HA ILE A 93 -16.119 -10.929 7.091 1.00 0.00 H new ATOM 0 HB ILE A 93 -15.677 -13.044 8.332 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -13.091 -13.708 8.079 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -12.880 -11.975 8.236 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -14.651 -14.276 6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -15.834 -13.076 5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -14.091 -12.739 5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -12.708 -13.079 10.412 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.125 -12.002 10.369 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -14.339 -13.762 10.210 1.00 0.00 H new ATOM 1363 N TYR A 94 -16.558 -10.493 9.553 1.00 0.00 N ATOM 1364 CA TYR A 94 -16.833 -9.966 10.884 1.00 0.00 C ATOM 1365 C TYR A 94 -16.186 -10.834 11.958 1.00 0.00 C ATOM 1366 O TYR A 94 -16.208 -12.062 11.876 1.00 0.00 O ATOM 1367 CB TYR A 94 -18.342 -9.882 11.121 1.00 0.00 C ATOM 1368 CG TYR A 94 -19.074 -11.170 10.818 1.00 0.00 C ATOM 1369 CD1 TYR A 94 -19.167 -12.179 11.768 1.00 0.00 C ATOM 1370 CD2 TYR A 94 -19.673 -11.378 9.581 1.00 0.00 C ATOM 1371 CE1 TYR A 94 -19.835 -13.358 11.496 1.00 0.00 C ATOM 1372 CE2 TYR A 94 -20.344 -12.552 9.301 1.00 0.00 C ATOM 1373 CZ TYR A 94 -20.422 -13.539 10.261 1.00 0.00 C ATOM 1374 OH TYR A 94 -21.088 -14.711 9.985 1.00 0.00 O ATOM 0 H TYR A 94 -17.377 -10.858 9.066 1.00 0.00 H new ATOM 0 HA TYR A 94 -16.406 -8.965 10.946 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -18.524 -9.606 12.160 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -18.755 -9.085 10.503 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -18.709 -12.040 12.736 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -19.613 -10.608 8.826 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.897 -14.133 12.246 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -20.805 -12.696 8.335 1.00 0.00 H new ATOM 0 HH TYR A 94 -21.444 -14.678 9.073 1.00 0.00 H new ATOM 1384 N SER A 95 -15.610 -10.187 12.966 1.00 0.00 N ATOM 1385 CA SER A 95 -14.954 -10.898 14.057 1.00 0.00 C ATOM 1386 C SER A 95 -14.750 -9.982 15.259 1.00 0.00 C ATOM 1387 O SER A 95 -14.120 -8.929 15.153 1.00 0.00 O ATOM 1388 CB SER A 95 -13.606 -11.455 13.592 1.00 0.00 C ATOM 1389 OG SER A 95 -13.172 -12.509 14.434 1.00 0.00 O ATOM 0 H SER A 95 -15.584 -9.171 13.050 1.00 0.00 H new ATOM 0 HA SER A 95 -15.598 -11.724 14.358 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.692 -11.816 12.567 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.862 -10.659 13.588 1.00 0.00 H new ATOM 0 HG SER A 95 -12.310 -12.849 14.115 1.00 0.00 H new ATOM 1395 N LEU A 96 -15.289 -10.389 16.403 1.00 0.00 N ATOM 1396 CA LEU A 96 -15.167 -9.606 17.628 1.00 0.00 C ATOM 1397 C LEU A 96 -14.076 -10.172 18.531 1.00 0.00 C ATOM 1398 O LEU A 96 -13.504 -11.224 18.245 1.00 0.00 O ATOM 1399 CB LEU A 96 -16.502 -9.581 18.375 1.00 0.00 C ATOM 1400 CG LEU A 96 -17.458 -8.447 18.003 1.00 0.00 C ATOM 1401 CD1 LEU A 96 -16.783 -7.097 18.190 1.00 0.00 C ATOM 1402 CD2 LEU A 96 -17.946 -8.609 16.571 1.00 0.00 C ATOM 0 H LEU A 96 -15.815 -11.257 16.508 1.00 0.00 H new ATOM 0 HA LEU A 96 -14.892 -8.588 17.353 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.010 -10.529 18.202 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.296 -9.520 19.444 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.322 -8.493 18.667 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.478 -6.302 17.920 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.485 -6.980 19.232 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.901 -7.040 17.552 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.625 -7.793 16.324 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -17.094 -8.590 15.892 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.469 -9.560 16.470 1.00 0.00 H new ATOM 1414 N SER A 97 -13.795 -9.469 19.623 1.00 0.00 N ATOM 1415 CA SER A 97 -12.772 -9.901 20.568 1.00 0.00 C ATOM 1416 C SER A 97 -13.246 -9.714 22.006 1.00 0.00 C ATOM 1417 O SER A 97 -13.484 -8.593 22.452 1.00 0.00 O ATOM 1418 CB SER A 97 -11.476 -9.120 20.341 1.00 0.00 C ATOM 1419 OG SER A 97 -11.593 -7.789 20.813 1.00 0.00 O ATOM 0 H SER A 97 -14.261 -8.598 19.875 1.00 0.00 H new ATOM 0 HA SER A 97 -12.583 -10.962 20.401 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.653 -9.619 20.852 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.234 -9.112 19.278 1.00 0.00 H new ATOM 0 HG SER A 97 -12.421 -7.696 21.329 1.00 0.00 H new ATOM 1425 N GLY A 98 -13.382 -10.823 22.726 1.00 0.00 N ATOM 1426 CA GLY A 98 -13.828 -10.762 24.106 1.00 0.00 C ATOM 1427 C GLY A 98 -14.462 -12.058 24.569 1.00 0.00 C ATOM 1428 O GLY A 98 -15.182 -12.723 23.824 1.00 0.00 O ATOM 0 H GLY A 98 -13.191 -11.763 22.379 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.980 -10.527 24.749 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -14.547 -9.950 24.217 1.00 0.00 H new ATOM 1432 N PRO A 99 -14.194 -12.436 25.828 1.00 0.00 N ATOM 1433 CA PRO A 99 -14.733 -13.665 26.417 1.00 0.00 C ATOM 1434 C PRO A 99 -16.237 -13.581 26.658 1.00 0.00 C ATOM 1435 O PRO A 99 -16.793 -12.492 26.795 1.00 0.00 O ATOM 1436 CB PRO A 99 -13.984 -13.780 27.747 1.00 0.00 C ATOM 1437 CG PRO A 99 -13.598 -12.381 28.085 1.00 0.00 C ATOM 1438 CD PRO A 99 -13.344 -11.692 26.773 1.00 0.00 C ATOM 0 HA PRO A 99 -14.598 -14.525 25.761 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -14.616 -14.215 28.521 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -13.108 -14.421 27.654 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -14.391 -11.881 28.641 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -12.708 -12.363 28.714 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -13.616 -10.637 26.814 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -12.292 -11.740 26.491 1.00 0.00 H new ATOM 1446 N SER A 100 -16.889 -14.738 26.710 1.00 0.00 N ATOM 1447 CA SER A 100 -18.329 -14.795 26.931 1.00 0.00 C ATOM 1448 C SER A 100 -18.663 -15.714 28.103 1.00 0.00 C ATOM 1449 O SER A 100 -19.812 -16.117 28.282 1.00 0.00 O ATOM 1450 CB SER A 100 -19.042 -15.281 25.668 1.00 0.00 C ATOM 1451 OG SER A 100 -18.964 -16.691 25.549 1.00 0.00 O ATOM 0 H SER A 100 -16.443 -15.649 26.602 1.00 0.00 H new ATOM 0 HA SER A 100 -18.675 -13.789 27.170 1.00 0.00 H new ATOM 0 HB2 SER A 100 -20.087 -14.972 25.695 1.00 0.00 H new ATOM 0 HB3 SER A 100 -18.594 -14.814 24.791 1.00 0.00 H new ATOM 0 HG SER A 100 -19.429 -16.977 24.735 1.00 0.00 H new ATOM 1457 N SER A 101 -17.648 -16.042 28.897 1.00 0.00 N ATOM 1458 CA SER A 101 -17.832 -16.916 30.049 1.00 0.00 C ATOM 1459 C SER A 101 -17.432 -16.206 31.339 1.00 0.00 C ATOM 1460 O SER A 101 -16.387 -15.561 31.408 1.00 0.00 O ATOM 1461 CB SER A 101 -17.009 -18.195 29.882 1.00 0.00 C ATOM 1462 OG SER A 101 -15.635 -17.898 29.704 1.00 0.00 O ATOM 0 H SER A 101 -16.691 -15.716 28.763 1.00 0.00 H new ATOM 0 HA SER A 101 -18.888 -17.177 30.111 1.00 0.00 H new ATOM 0 HB2 SER A 101 -17.136 -18.830 30.759 1.00 0.00 H new ATOM 0 HB3 SER A 101 -17.377 -18.758 29.024 1.00 0.00 H new ATOM 0 HG SER A 101 -15.390 -17.133 30.265 1.00 0.00 H new ATOM 1468 N GLY A 102 -18.274 -16.331 32.361 1.00 0.00 N ATOM 1469 CA GLY A 102 -17.992 -15.696 33.636 1.00 0.00 C ATOM 1470 C GLY A 102 -18.523 -14.278 33.707 1.00 0.00 C ATOM 1471 O GLY A 102 -17.751 -13.324 33.802 1.00 0.00 O ATOM 0 H GLY A 102 -19.145 -16.860 32.329 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -18.434 -16.287 34.438 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.915 -15.686 33.803 1.00 0.00 H new TER 1475 GLY A 102