USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=28 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 60 LYS NZ :NH3+ 160:sc= -0.13 (180deg=-0.845!) USER MOD Set 1.2: A 73 MET CE :methyl 161:sc= -0.0105 (180deg=-0.121) USER MOD Set 2.1: A 58 ASN : amide:sc= 0.786 K(o=0.79,f=-7!) USER MOD Set 2.2: A 81 THR OG1 : rot -160:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0815 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 152:sc= -0.162 (180deg=-0.89) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc=-0.00733 (180deg=-0.164) USER MOD Single : A 16 SER OG : rot 34:sc= -0.228 USER MOD Single : A 17 ASN : amide:sc= -0.0251 K(o=-0.025,f=-1) USER MOD Single : A 19 TYR OH : rot 29:sc= 0.278 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.14) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.3!) USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= -0.33 (180deg=-1.62!) USER MOD Single : A 41 SER OG : rot -82:sc= 0.834 USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00853) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.929 F(o=-1.9,f=-0.93) USER MOD Single : A 51 ASN : amide:sc= -3.29! C(o=-3.3!,f=-7.4!) USER MOD Single : A 61 SER OG : rot 44:sc= 0.0897 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.19 F(o=-2.7!,f=-1.2) USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0584) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -147:sc= -0.538 (180deg=-1.81!) 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 180:sc= 0 USER MOD Single : A 100 SER OG : rot 30:sc= 0.49 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.656 -5.240 -24.759 1.00 0.00 N ATOM 2 CA GLY A 1 -9.569 -5.278 -23.798 1.00 0.00 C ATOM 3 C GLY A 1 -9.775 -6.333 -22.730 1.00 0.00 C ATOM 4 O GLY A 1 -10.713 -7.127 -22.805 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.288 -5.451 -25.708 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.373 -5.948 -24.500 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.087 -4.294 -24.758 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.633 -5.473 -24.321 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.472 -4.301 -23.325 1.00 0.00 H new ATOM 8 N SER A 2 -8.897 -6.344 -21.733 1.00 0.00 N ATOM 9 CA SER A 2 -8.984 -7.313 -20.647 1.00 0.00 C ATOM 10 C SER A 2 -10.395 -7.356 -20.069 1.00 0.00 C ATOM 11 O SER A 2 -11.162 -6.403 -20.203 1.00 0.00 O ATOM 12 CB SER A 2 -7.979 -6.969 -19.546 1.00 0.00 C ATOM 13 OG SER A 2 -8.411 -5.849 -18.794 1.00 0.00 O ATOM 0 H SER A 2 -8.116 -5.692 -21.655 1.00 0.00 H new ATOM 0 HA SER A 2 -8.746 -8.297 -21.051 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.850 -7.827 -18.886 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.006 -6.760 -19.990 1.00 0.00 H new ATOM 0 HG SER A 2 -7.753 -5.650 -18.096 1.00 0.00 H new ATOM 19 N SER A 3 -10.731 -8.470 -19.426 1.00 0.00 N ATOM 20 CA SER A 3 -12.051 -8.640 -18.830 1.00 0.00 C ATOM 21 C SER A 3 -12.039 -8.235 -17.359 1.00 0.00 C ATOM 22 O SER A 3 -11.861 -9.071 -16.474 1.00 0.00 O ATOM 23 CB SER A 3 -12.511 -10.093 -18.967 1.00 0.00 C ATOM 24 OG SER A 3 -12.539 -10.493 -20.326 1.00 0.00 O ATOM 0 H SER A 3 -10.107 -9.268 -19.305 1.00 0.00 H new ATOM 0 HA SER A 3 -12.749 -7.993 -19.361 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.840 -10.744 -18.407 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.503 -10.206 -18.531 1.00 0.00 H new ATOM 0 HG SER A 3 -12.834 -11.425 -20.387 1.00 0.00 H new ATOM 30 N GLY A 4 -12.230 -6.943 -17.106 1.00 0.00 N ATOM 31 CA GLY A 4 -12.238 -6.448 -15.742 1.00 0.00 C ATOM 32 C GLY A 4 -11.021 -6.894 -14.956 1.00 0.00 C ATOM 33 O GLY A 4 -11.016 -7.976 -14.369 1.00 0.00 O ATOM 0 H GLY A 4 -12.379 -6.231 -17.821 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.280 -5.359 -15.754 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.140 -6.796 -15.238 1.00 0.00 H new ATOM 37 N SER A 5 -9.986 -6.060 -14.946 1.00 0.00 N ATOM 38 CA SER A 5 -8.756 -6.378 -14.230 1.00 0.00 C ATOM 39 C SER A 5 -8.950 -6.232 -12.724 1.00 0.00 C ATOM 40 O SER A 5 -9.738 -5.405 -12.266 1.00 0.00 O ATOM 41 CB SER A 5 -7.619 -5.468 -14.700 1.00 0.00 C ATOM 42 OG SER A 5 -7.917 -4.106 -14.444 1.00 0.00 O ATOM 0 H SER A 5 -9.975 -5.160 -15.425 1.00 0.00 H new ATOM 0 HA SER A 5 -8.496 -7.414 -14.446 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.695 -5.743 -14.192 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.451 -5.612 -15.767 1.00 0.00 H new ATOM 0 HG SER A 5 -7.175 -3.545 -14.752 1.00 0.00 H new ATOM 48 N SER A 6 -8.226 -7.043 -11.959 1.00 0.00 N ATOM 49 CA SER A 6 -8.321 -7.008 -10.504 1.00 0.00 C ATOM 50 C SER A 6 -7.098 -6.328 -9.897 1.00 0.00 C ATOM 51 O SER A 6 -5.965 -6.579 -10.308 1.00 0.00 O ATOM 52 CB SER A 6 -8.459 -8.426 -9.947 1.00 0.00 C ATOM 53 OG SER A 6 -7.350 -9.228 -10.312 1.00 0.00 O ATOM 0 H SER A 6 -7.567 -7.732 -12.322 1.00 0.00 H new ATOM 0 HA SER A 6 -9.207 -6.432 -10.235 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.541 -8.387 -8.861 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.378 -8.879 -10.320 1.00 0.00 H new ATOM 0 HG SER A 6 -7.462 -10.129 -9.942 1.00 0.00 H new ATOM 59 N GLY A 7 -7.336 -5.464 -8.914 1.00 0.00 N ATOM 60 CA GLY A 7 -6.245 -4.760 -8.265 1.00 0.00 C ATOM 61 C GLY A 7 -5.953 -3.421 -8.912 1.00 0.00 C ATOM 62 O GLY A 7 -5.730 -3.344 -10.120 1.00 0.00 O ATOM 0 H GLY A 7 -8.264 -5.239 -8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.490 -4.607 -7.214 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.348 -5.378 -8.296 1.00 0.00 H new ATOM 66 N ARG A 8 -5.954 -2.364 -8.107 1.00 0.00 N ATOM 67 CA ARG A 8 -5.690 -1.021 -8.609 1.00 0.00 C ATOM 68 C ARG A 8 -4.242 -0.618 -8.348 1.00 0.00 C ATOM 69 O ARG A 8 -3.560 -1.218 -7.517 1.00 0.00 O ATOM 70 CB ARG A 8 -6.637 -0.013 -7.954 1.00 0.00 C ATOM 71 CG ARG A 8 -6.510 0.047 -6.441 1.00 0.00 C ATOM 72 CD ARG A 8 -7.674 0.798 -5.814 1.00 0.00 C ATOM 73 NE ARG A 8 -7.548 2.243 -5.983 1.00 0.00 N ATOM 74 CZ ARG A 8 -8.543 3.098 -5.772 1.00 0.00 C ATOM 75 NH1 ARG A 8 -9.731 2.655 -5.385 1.00 0.00 N ATOM 76 NH2 ARG A 8 -8.350 4.399 -5.947 1.00 0.00 N ATOM 0 H ARG A 8 -6.135 -2.412 -7.104 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.860 -1.023 -9.686 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.442 0.977 -8.366 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.664 -0.270 -8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.469 -0.965 -6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.573 0.536 -6.172 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.608 0.461 -6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.728 0.561 -4.752 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.646 2.617 -6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.883 1.656 -5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.493 3.313 -5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.437 4.744 -6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.115 5.054 -5.785 1.00 0.00 H new ATOM 90 N VAL A 9 -3.778 0.401 -9.064 1.00 0.00 N ATOM 91 CA VAL A 9 -2.411 0.885 -8.910 1.00 0.00 C ATOM 92 C VAL A 9 -2.379 2.213 -8.162 1.00 0.00 C ATOM 93 O VAL A 9 -3.073 3.161 -8.529 1.00 0.00 O ATOM 94 CB VAL A 9 -1.721 1.060 -10.276 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.382 1.763 -10.111 1.00 0.00 C ATOM 96 CG2 VAL A 9 -1.545 -0.286 -10.961 1.00 0.00 C ATOM 0 H VAL A 9 -4.329 0.908 -9.757 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.872 0.134 -8.333 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.356 1.682 -10.907 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.091 1.878 -11.086 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.539 2.745 -9.666 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.263 1.170 -9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.056 -0.143 -11.925 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.932 -0.935 -10.336 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.521 -0.747 -11.114 1.00 0.00 H new ATOM 106 N VAL A 10 -1.568 2.274 -7.111 1.00 0.00 N ATOM 107 CA VAL A 10 -1.443 3.486 -6.311 1.00 0.00 C ATOM 108 C VAL A 10 -0.043 4.079 -6.425 1.00 0.00 C ATOM 109 O VAL A 10 0.938 3.353 -6.588 1.00 0.00 O ATOM 110 CB VAL A 10 -1.754 3.214 -4.827 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.013 4.518 -4.088 1.00 0.00 C ATOM 112 CG2 VAL A 10 -2.941 2.272 -4.696 1.00 0.00 C ATOM 0 H VAL A 10 -0.987 1.498 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.169 4.199 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.887 2.734 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.231 4.306 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.131 5.155 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.863 5.029 -4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.147 2.091 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.816 2.722 -5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.712 1.327 -5.189 1.00 0.00 H new ATOM 122 N VAL A 11 0.043 5.402 -6.338 1.00 0.00 N ATOM 123 CA VAL A 11 1.323 6.093 -6.430 1.00 0.00 C ATOM 124 C VAL A 11 1.432 7.191 -5.378 1.00 0.00 C ATOM 125 O VAL A 11 0.569 8.064 -5.285 1.00 0.00 O ATOM 126 CB VAL A 11 1.528 6.713 -7.825 1.00 0.00 C ATOM 127 CG1 VAL A 11 2.824 7.508 -7.872 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.517 5.632 -8.895 1.00 0.00 C ATOM 0 H VAL A 11 -0.759 6.017 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 11 2.098 5.347 -6.255 1.00 0.00 H new ATOM 0 HB VAL A 11 0.703 7.397 -8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.951 7.938 -8.865 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.787 8.308 -7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.664 6.849 -7.652 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.663 6.088 -9.874 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.320 4.921 -8.702 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.560 5.111 -8.876 1.00 0.00 H new ATOM 138 N ILE A 12 2.499 7.140 -4.587 1.00 0.00 N ATOM 139 CA ILE A 12 2.722 8.131 -3.542 1.00 0.00 C ATOM 140 C ILE A 12 4.168 8.616 -3.542 1.00 0.00 C ATOM 141 O ILE A 12 5.072 7.906 -3.983 1.00 0.00 O ATOM 142 CB ILE A 12 2.382 7.568 -2.149 1.00 0.00 C ATOM 143 CG1 ILE A 12 0.940 7.056 -2.120 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.594 8.630 -1.081 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.707 5.964 -1.100 1.00 0.00 C ATOM 0 H ILE A 12 3.222 6.423 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 12 2.060 8.970 -3.758 1.00 0.00 H new ATOM 0 HB ILE A 12 3.049 6.732 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.271 7.890 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.676 6.681 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.349 8.216 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.636 8.951 -1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.949 9.485 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.336 5.650 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.350 5.113 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.939 6.341 -0.104 1.00 0.00 H new ATOM 157 N LYS A 13 4.380 9.829 -3.044 1.00 0.00 N ATOM 158 CA LYS A 13 5.716 10.409 -2.983 1.00 0.00 C ATOM 159 C LYS A 13 6.024 10.920 -1.579 1.00 0.00 C ATOM 160 O LYS A 13 5.301 11.756 -1.039 1.00 0.00 O ATOM 161 CB LYS A 13 5.845 11.552 -3.993 1.00 0.00 C ATOM 162 CG LYS A 13 4.967 11.380 -5.220 1.00 0.00 C ATOM 163 CD LYS A 13 3.595 12.002 -5.016 1.00 0.00 C ATOM 164 CE LYS A 13 3.612 13.496 -5.301 1.00 0.00 C ATOM 165 NZ LYS A 13 4.049 13.790 -6.694 1.00 0.00 N ATOM 0 H LYS A 13 3.643 10.430 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 13 6.435 9.629 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.589 12.491 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.885 11.631 -4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.451 11.839 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.857 10.319 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.872 11.514 -5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.265 11.830 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.616 13.908 -5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.281 13.992 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.622 14.684 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.085 13.872 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.745 13.020 -7.323 1.00 0.00 H new ATOM 179 N LYS A 14 7.104 10.412 -0.994 1.00 0.00 N ATOM 180 CA LYS A 14 7.510 10.819 0.346 1.00 0.00 C ATOM 181 C LYS A 14 7.326 12.321 0.539 1.00 0.00 C ATOM 182 O LYS A 14 7.496 13.102 -0.397 1.00 0.00 O ATOM 183 CB LYS A 14 8.971 10.437 0.596 1.00 0.00 C ATOM 184 CG LYS A 14 9.282 10.141 2.053 1.00 0.00 C ATOM 185 CD LYS A 14 9.048 8.678 2.387 1.00 0.00 C ATOM 186 CE LYS A 14 10.279 7.835 2.094 1.00 0.00 C ATOM 187 NZ LYS A 14 11.369 8.083 3.078 1.00 0.00 N ATOM 0 H LYS A 14 7.713 9.718 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 14 6.876 10.299 1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.216 9.561 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.614 11.248 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.319 10.402 2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.659 10.765 2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.782 8.582 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.203 8.303 1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.008 6.779 2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.640 8.056 1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.053 7.301 3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.851 8.975 2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.965 8.147 4.034 1.00 0.00 H new ATOM 201 N GLY A 15 6.979 12.719 1.759 1.00 0.00 N ATOM 202 CA GLY A 15 6.780 14.126 2.052 1.00 0.00 C ATOM 203 C GLY A 15 6.363 14.366 3.489 1.00 0.00 C ATOM 204 O GLY A 15 7.120 14.083 4.418 1.00 0.00 O ATOM 0 H GLY A 15 6.832 12.092 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.702 14.670 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.019 14.529 1.384 1.00 0.00 H new ATOM 208 N SER A 16 5.156 14.891 3.674 1.00 0.00 N ATOM 209 CA SER A 16 4.641 15.174 5.008 1.00 0.00 C ATOM 210 C SER A 16 4.483 13.888 5.814 1.00 0.00 C ATOM 211 O SER A 16 3.673 13.027 5.476 1.00 0.00 O ATOM 212 CB SER A 16 3.298 15.900 4.917 1.00 0.00 C ATOM 213 OG SER A 16 2.316 15.081 4.306 1.00 0.00 O ATOM 0 H SER A 16 4.516 15.129 2.916 1.00 0.00 H new ATOM 0 HA SER A 16 5.359 15.816 5.518 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.967 16.186 5.915 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.416 16.820 4.344 1.00 0.00 H new ATOM 0 HG SER A 16 2.473 14.145 4.550 1.00 0.00 H new ATOM 219 N ASN A 17 5.265 13.767 6.882 1.00 0.00 N ATOM 220 CA ASN A 17 5.213 12.586 7.737 1.00 0.00 C ATOM 221 C ASN A 17 5.420 11.314 6.920 1.00 0.00 C ATOM 222 O ASN A 17 4.739 10.312 7.130 1.00 0.00 O ATOM 223 CB ASN A 17 3.873 12.521 8.472 1.00 0.00 C ATOM 224 CG ASN A 17 3.569 13.796 9.235 1.00 0.00 C ATOM 225 OD1 ASN A 17 3.242 14.825 8.642 1.00 0.00 O ATOM 226 ND2 ASN A 17 3.677 13.735 10.557 1.00 0.00 N ATOM 0 H ASN A 17 5.942 14.471 7.176 1.00 0.00 H new ATOM 0 HA ASN A 17 6.017 12.662 8.469 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.076 12.333 7.753 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.882 11.680 9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.486 14.562 11.123 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.951 12.861 11.007 1.00 0.00 H new ATOM 233 N GLY A 18 6.367 11.363 5.988 1.00 0.00 N ATOM 234 CA GLY A 18 6.648 10.209 5.155 1.00 0.00 C ATOM 235 C GLY A 18 5.617 10.020 4.060 1.00 0.00 C ATOM 236 O GLY A 18 5.510 10.842 3.150 1.00 0.00 O ATOM 0 H GLY A 18 6.944 12.181 5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.635 10.321 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.681 9.315 5.777 1.00 0.00 H new ATOM 240 N TYR A 19 4.857 8.934 4.146 1.00 0.00 N ATOM 241 CA TYR A 19 3.832 8.637 3.153 1.00 0.00 C ATOM 242 C TYR A 19 2.452 9.051 3.654 1.00 0.00 C ATOM 243 O TYR A 19 1.753 9.833 3.010 1.00 0.00 O ATOM 244 CB TYR A 19 3.837 7.146 2.814 1.00 0.00 C ATOM 245 CG TYR A 19 5.077 6.698 2.073 1.00 0.00 C ATOM 246 CD1 TYR A 19 5.355 7.168 0.795 1.00 0.00 C ATOM 247 CD2 TYR A 19 5.971 5.805 2.651 1.00 0.00 C ATOM 248 CE1 TYR A 19 6.485 6.761 0.114 1.00 0.00 C ATOM 249 CE2 TYR A 19 7.105 5.393 1.978 1.00 0.00 C ATOM 250 CZ TYR A 19 7.358 5.874 0.710 1.00 0.00 C ATOM 251 OH TYR A 19 8.486 5.467 0.036 1.00 0.00 O ATOM 0 H TYR A 19 4.932 8.244 4.894 1.00 0.00 H new ATOM 0 HA TYR A 19 4.059 9.208 2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.748 6.572 3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.960 6.916 2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.675 7.864 0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.776 5.426 3.644 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.684 7.135 -0.879 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.790 4.698 2.442 1.00 0.00 H new ATOM 0 HH TYR A 19 8.773 6.174 -0.579 1.00 0.00 H new ATOM 261 N GLY A 20 2.065 8.520 4.810 1.00 0.00 N ATOM 262 CA GLY A 20 0.771 8.846 5.380 1.00 0.00 C ATOM 263 C GLY A 20 -0.076 7.615 5.637 1.00 0.00 C ATOM 264 O GLY A 20 -1.037 7.663 6.406 1.00 0.00 O ATOM 0 H GLY A 20 2.625 7.870 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.915 9.386 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.238 9.515 4.705 1.00 0.00 H new ATOM 268 N PHE A 21 0.280 6.509 4.992 1.00 0.00 N ATOM 269 CA PHE A 21 -0.455 5.260 5.153 1.00 0.00 C ATOM 270 C PHE A 21 0.348 4.258 5.978 1.00 0.00 C ATOM 271 O PHE A 21 1.557 4.113 5.793 1.00 0.00 O ATOM 272 CB PHE A 21 -0.790 4.660 3.786 1.00 0.00 C ATOM 273 CG PHE A 21 0.396 4.057 3.090 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.285 4.855 2.388 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.623 2.691 3.137 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.378 4.303 1.746 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.714 2.133 2.498 1.00 0.00 C ATOM 278 CZ PHE A 21 2.592 2.940 1.800 1.00 0.00 C ATOM 0 H PHE A 21 1.073 6.452 4.353 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.382 5.480 5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.556 3.894 3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.217 5.437 3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.122 5.922 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.061 2.055 3.679 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.063 4.937 1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.880 1.067 2.544 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.444 2.506 1.298 1.00 0.00 H new ATOM 288 N TYR A 22 -0.332 3.570 6.888 1.00 0.00 N ATOM 289 CA TYR A 22 0.317 2.584 7.743 1.00 0.00 C ATOM 290 C TYR A 22 0.005 1.166 7.274 1.00 0.00 C ATOM 291 O TYR A 22 -0.924 0.947 6.495 1.00 0.00 O ATOM 292 CB TYR A 22 -0.130 2.763 9.195 1.00 0.00 C ATOM 293 CG TYR A 22 0.516 3.943 9.886 1.00 0.00 C ATOM 294 CD1 TYR A 22 1.849 3.901 10.275 1.00 0.00 C ATOM 295 CD2 TYR A 22 -0.207 5.099 10.150 1.00 0.00 C ATOM 296 CE1 TYR A 22 2.442 4.975 10.908 1.00 0.00 C ATOM 297 CE2 TYR A 22 0.378 6.180 10.781 1.00 0.00 C ATOM 298 CZ TYR A 22 1.703 6.113 11.158 1.00 0.00 C ATOM 299 OH TYR A 22 2.292 7.186 11.787 1.00 0.00 O ATOM 0 H TYR A 22 -1.333 3.677 7.053 1.00 0.00 H new ATOM 0 HA TYR A 22 1.394 2.739 7.680 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.213 2.886 9.221 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.101 1.855 9.752 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.431 3.013 10.079 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.245 5.154 9.857 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.479 4.925 11.206 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.199 7.072 10.978 1.00 0.00 H new ATOM 0 HH TYR A 22 1.636 7.907 11.887 1.00 0.00 H new ATOM 309 N LEU A 23 0.787 0.206 7.755 1.00 0.00 N ATOM 310 CA LEU A 23 0.595 -1.193 7.387 1.00 0.00 C ATOM 311 C LEU A 23 0.533 -2.079 8.627 1.00 0.00 C ATOM 312 O LEU A 23 1.475 -2.122 9.418 1.00 0.00 O ATOM 313 CB LEU A 23 1.727 -1.659 6.469 1.00 0.00 C ATOM 314 CG LEU A 23 1.901 -0.876 5.167 1.00 0.00 C ATOM 315 CD1 LEU A 23 3.191 -1.280 4.470 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.706 -1.093 4.250 1.00 0.00 C ATOM 0 H LEU A 23 1.560 0.370 8.400 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.353 -1.277 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.663 -1.611 7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.558 -2.707 6.220 1.00 0.00 H new ATOM 0 HG LEU A 23 1.960 0.185 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.298 -0.713 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.038 -1.072 5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.163 -2.345 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.847 -0.528 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.615 -2.154 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.202 -0.753 4.749 1.00 0.00 H new ATOM 328 N ARG A 24 -0.581 -2.785 8.788 1.00 0.00 N ATOM 329 CA ARG A 24 -0.765 -3.671 9.931 1.00 0.00 C ATOM 330 C ARG A 24 -0.996 -5.108 9.473 1.00 0.00 C ATOM 331 O ARG A 24 -1.691 -5.352 8.487 1.00 0.00 O ATOM 332 CB ARG A 24 -1.945 -3.200 10.784 1.00 0.00 C ATOM 333 CG ARG A 24 -2.286 -4.144 11.925 1.00 0.00 C ATOM 334 CD ARG A 24 -3.323 -5.174 11.505 1.00 0.00 C ATOM 335 NE ARG A 24 -3.966 -5.804 12.654 1.00 0.00 N ATOM 336 CZ ARG A 24 -3.359 -6.677 13.450 1.00 0.00 C ATOM 337 NH1 ARG A 24 -2.099 -7.022 13.222 1.00 0.00 N ATOM 338 NH2 ARG A 24 -4.011 -7.207 14.477 1.00 0.00 N ATOM 0 H ARG A 24 -1.370 -2.761 8.142 1.00 0.00 H new ATOM 0 HA ARG A 24 0.144 -3.641 10.532 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.717 -2.216 11.194 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.821 -3.084 10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.382 -4.652 12.261 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.663 -3.571 12.772 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.080 -4.694 10.884 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.846 -5.939 10.892 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.935 -5.560 12.857 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.594 -6.617 12.434 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.635 -7.693 13.835 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.980 -6.944 14.656 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.543 -7.877 15.087 1.00 0.00 H new ATOM 352 N ALA A 25 -0.409 -6.056 10.196 1.00 0.00 N ATOM 353 CA ALA A 25 -0.552 -7.468 9.866 1.00 0.00 C ATOM 354 C ALA A 25 -2.011 -7.905 9.944 1.00 0.00 C ATOM 355 O ALA A 25 -2.542 -8.139 11.029 1.00 0.00 O ATOM 356 CB ALA A 25 0.306 -8.317 10.793 1.00 0.00 C ATOM 0 H ALA A 25 0.171 -5.871 11.015 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.211 -7.612 8.841 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.189 -9.369 10.535 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.352 -8.031 10.684 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.008 -8.160 11.825 1.00 0.00 H new ATOM 362 N GLY A 26 -2.654 -8.013 8.785 1.00 0.00 N ATOM 363 CA GLY A 26 -4.046 -8.421 8.745 1.00 0.00 C ATOM 364 C GLY A 26 -4.226 -9.898 9.034 1.00 0.00 C ATOM 365 O GLY A 26 -3.361 -10.547 9.621 1.00 0.00 O ATOM 0 H GLY A 26 -2.236 -7.825 7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.613 -7.840 9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.460 -8.193 7.763 1.00 0.00 H new ATOM 369 N PRO A 27 -5.375 -10.451 8.617 1.00 0.00 N ATOM 370 CA PRO A 27 -5.693 -11.867 8.824 1.00 0.00 C ATOM 371 C PRO A 27 -4.827 -12.787 7.971 1.00 0.00 C ATOM 372 O PRO A 27 -4.015 -12.323 7.172 1.00 0.00 O ATOM 373 CB PRO A 27 -7.160 -11.966 8.399 1.00 0.00 C ATOM 374 CG PRO A 27 -7.354 -10.843 7.439 1.00 0.00 C ATOM 375 CD PRO A 27 -6.452 -9.736 7.911 1.00 0.00 C ATOM 0 HA PRO A 27 -5.511 -12.180 9.852 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.372 -12.927 7.931 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.827 -11.874 9.256 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.099 -11.148 6.424 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.395 -10.519 7.423 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.066 -9.149 7.077 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.976 -9.045 8.571 1.00 0.00 H new ATOM 383 N GLU A 28 -5.007 -14.092 8.146 1.00 0.00 N ATOM 384 CA GLU A 28 -4.241 -15.076 7.391 1.00 0.00 C ATOM 385 C GLU A 28 -4.074 -14.638 5.939 1.00 0.00 C ATOM 386 O GLU A 28 -3.035 -14.876 5.324 1.00 0.00 O ATOM 387 CB GLU A 28 -4.927 -16.443 7.448 1.00 0.00 C ATOM 388 CG GLU A 28 -6.335 -16.441 6.878 1.00 0.00 C ATOM 389 CD GLU A 28 -6.941 -17.830 6.816 1.00 0.00 C ATOM 390 OE1 GLU A 28 -6.178 -18.804 6.654 1.00 0.00 O ATOM 391 OE2 GLU A 28 -8.180 -17.941 6.930 1.00 0.00 O ATOM 0 H GLU A 28 -5.676 -14.492 8.804 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.253 -15.155 7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.323 -17.166 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.964 -16.779 8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.969 -15.799 7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.317 -16.011 5.876 1.00 0.00 H new ATOM 398 N GLN A 29 -5.106 -13.998 5.398 1.00 0.00 N ATOM 399 CA GLN A 29 -5.075 -13.529 4.018 1.00 0.00 C ATOM 400 C GLN A 29 -3.708 -12.948 3.671 1.00 0.00 C ATOM 401 O GLN A 29 -2.974 -12.492 4.549 1.00 0.00 O ATOM 402 CB GLN A 29 -6.162 -12.477 3.790 1.00 0.00 C ATOM 403 CG GLN A 29 -7.570 -13.050 3.779 1.00 0.00 C ATOM 404 CD GLN A 29 -7.795 -14.025 2.641 1.00 0.00 C ATOM 405 OE1 GLN A 29 -7.546 -13.706 1.477 1.00 0.00 O ATOM 406 NE2 GLN A 29 -8.268 -15.221 2.970 1.00 0.00 N ATOM 0 H GLN A 29 -5.973 -13.793 5.894 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.263 -14.382 3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.093 -11.720 4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.976 -11.974 2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.760 -13.554 4.727 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.289 -12.235 3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.460 -15.442 3.947 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.439 -15.919 2.246 1.00 0.00 H new ATOM 415 N LYS A 30 -3.371 -12.968 2.386 1.00 0.00 N ATOM 416 CA LYS A 30 -2.092 -12.443 1.922 1.00 0.00 C ATOM 417 C LYS A 30 -2.191 -10.948 1.631 1.00 0.00 C ATOM 418 O LYS A 30 -3.168 -10.483 1.046 1.00 0.00 O ATOM 419 CB LYS A 30 -1.637 -13.188 0.665 1.00 0.00 C ATOM 420 CG LYS A 30 -1.950 -14.674 0.693 1.00 0.00 C ATOM 421 CD LYS A 30 -0.922 -15.445 1.505 1.00 0.00 C ATOM 422 CE LYS A 30 -1.534 -16.678 2.152 1.00 0.00 C ATOM 423 NZ LYS A 30 -1.521 -17.850 1.233 1.00 0.00 N ATOM 0 H LYS A 30 -3.966 -13.342 1.647 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.357 -12.594 2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.116 -12.741 -0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.562 -13.054 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.942 -14.830 1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.975 -15.061 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.096 -15.744 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.505 -14.797 2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.984 -16.923 3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.560 -16.461 2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.946 -18.670 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.067 -17.626 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.540 -18.073 0.969 1.00 0.00 H new ATOM 437 N GLY A 31 -1.171 -10.201 2.043 1.00 0.00 N ATOM 438 CA GLY A 31 -1.163 -8.768 1.816 1.00 0.00 C ATOM 439 C GLY A 31 -1.348 -7.977 3.096 1.00 0.00 C ATOM 440 O GLY A 31 -1.966 -8.458 4.046 1.00 0.00 O ATOM 0 H GLY A 31 -0.351 -10.563 2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.220 -8.482 1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.957 -8.510 1.115 1.00 0.00 H new ATOM 444 N GLN A 32 -0.810 -6.762 3.123 1.00 0.00 N ATOM 445 CA GLN A 32 -0.918 -5.905 4.298 1.00 0.00 C ATOM 446 C GLN A 32 -2.123 -4.978 4.187 1.00 0.00 C ATOM 447 O GLN A 32 -2.452 -4.499 3.101 1.00 0.00 O ATOM 448 CB GLN A 32 0.359 -5.082 4.473 1.00 0.00 C ATOM 449 CG GLN A 32 1.619 -5.927 4.570 1.00 0.00 C ATOM 450 CD GLN A 32 1.630 -6.820 5.795 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.727 -6.341 6.926 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.530 -8.126 5.577 1.00 0.00 N ATOM 0 H GLN A 32 -0.295 -6.349 2.345 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.054 -6.543 5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.456 -4.395 3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.269 -4.474 5.373 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.708 -6.543 3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.490 -5.272 4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.452 -8.479 4.623 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.532 -8.776 6.363 1.00 0.00 H new ATOM 461 N ILE A 33 -2.779 -4.730 5.315 1.00 0.00 N ATOM 462 CA ILE A 33 -3.947 -3.859 5.344 1.00 0.00 C ATOM 463 C ILE A 33 -3.570 -2.446 5.775 1.00 0.00 C ATOM 464 O ILE A 33 -2.826 -2.258 6.738 1.00 0.00 O ATOM 465 CB ILE A 33 -5.030 -4.402 6.296 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.134 -5.923 6.171 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.372 -3.748 5.999 1.00 0.00 C ATOM 468 CD1 ILE A 33 -6.274 -6.519 6.967 1.00 0.00 C ATOM 0 H ILE A 33 -2.521 -5.120 6.222 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.345 -3.832 4.330 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.747 -4.159 7.320 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.259 -6.185 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.197 -6.371 6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.127 -4.142 6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.289 -2.670 6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.662 -3.964 4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.287 -7.600 6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.140 -6.288 8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.218 -6.099 6.621 1.00 0.00 H new ATOM 480 N ILE A 34 -4.089 -1.456 5.057 1.00 0.00 N ATOM 481 CA ILE A 34 -3.809 -0.060 5.366 1.00 0.00 C ATOM 482 C ILE A 34 -4.796 0.484 6.394 1.00 0.00 C ATOM 483 O ILE A 34 -5.979 0.146 6.374 1.00 0.00 O ATOM 484 CB ILE A 34 -3.863 0.819 4.103 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.701 0.479 3.168 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.831 2.293 4.481 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.698 1.286 1.889 1.00 0.00 C ATOM 0 H ILE A 34 -4.706 -1.595 4.257 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.801 -0.025 5.779 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.797 0.618 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.761 0.645 3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.744 -0.581 2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.870 2.901 3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.689 2.525 5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.911 2.509 5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.847 0.992 1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.622 1.102 1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.623 2.347 2.128 1.00 0.00 H new ATOM 499 N LYS A 35 -4.301 1.332 7.290 1.00 0.00 N ATOM 500 CA LYS A 35 -5.139 1.927 8.324 1.00 0.00 C ATOM 501 C LYS A 35 -4.456 3.140 8.947 1.00 0.00 C ATOM 502 O LYS A 35 -3.278 3.398 8.696 1.00 0.00 O ATOM 503 CB LYS A 35 -5.457 0.895 9.409 1.00 0.00 C ATOM 504 CG LYS A 35 -4.323 -0.081 9.670 1.00 0.00 C ATOM 505 CD LYS A 35 -4.799 -1.292 10.455 1.00 0.00 C ATOM 506 CE LYS A 35 -5.363 -2.365 9.537 1.00 0.00 C ATOM 507 NZ LYS A 35 -6.810 -2.150 9.257 1.00 0.00 N ATOM 0 H LYS A 35 -3.324 1.622 7.321 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.069 2.254 7.859 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.697 1.416 10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.347 0.336 9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.896 -0.406 8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.529 0.422 10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.969 -1.703 11.030 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.562 -0.986 11.171 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.808 -2.369 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.223 -3.345 9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.289 -3.070 9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.236 -1.604 10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.917 -1.626 8.365 1.00 0.00 H new ATOM 521 N ASP A 36 -5.200 3.880 9.761 1.00 0.00 N ATOM 522 CA ASP A 36 -4.665 5.065 10.422 1.00 0.00 C ATOM 523 C ASP A 36 -4.060 6.027 9.405 1.00 0.00 C ATOM 524 O ASP A 36 -2.946 6.520 9.588 1.00 0.00 O ATOM 525 CB ASP A 36 -3.611 4.666 11.455 1.00 0.00 C ATOM 526 CG ASP A 36 -4.215 4.373 12.815 1.00 0.00 C ATOM 527 OD1 ASP A 36 -4.653 3.225 13.035 1.00 0.00 O ATOM 528 OD2 ASP A 36 -4.250 5.293 13.659 1.00 0.00 O ATOM 0 H ASP A 36 -6.176 3.680 9.979 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.487 5.571 10.930 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.075 3.785 11.101 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.879 5.468 11.551 1.00 0.00 H new ATOM 533 N ILE A 37 -4.800 6.290 8.333 1.00 0.00 N ATOM 534 CA ILE A 37 -4.335 7.193 7.287 1.00 0.00 C ATOM 535 C ILE A 37 -4.277 8.632 7.790 1.00 0.00 C ATOM 536 O ILE A 37 -5.140 9.069 8.550 1.00 0.00 O ATOM 537 CB ILE A 37 -5.244 7.131 6.045 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.170 5.746 5.400 1.00 0.00 C ATOM 539 CG2 ILE A 37 -4.850 8.209 5.046 1.00 0.00 C ATOM 540 CD1 ILE A 37 -6.229 5.513 4.346 1.00 0.00 C ATOM 0 H ILE A 37 -5.724 5.891 8.166 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.333 6.867 7.010 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.273 7.311 6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.186 5.616 4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.268 4.987 6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.501 8.152 4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.950 9.190 5.511 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.816 8.058 4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.116 4.511 3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.217 5.611 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.118 6.249 3.550 1.00 0.00 H new ATOM 552 N GLU A 38 -3.254 9.362 7.358 1.00 0.00 N ATOM 553 CA GLU A 38 -3.084 10.753 7.763 1.00 0.00 C ATOM 554 C GLU A 38 -3.698 11.698 6.735 1.00 0.00 C ATOM 555 O GLU A 38 -3.631 11.471 5.527 1.00 0.00 O ATOM 556 CB GLU A 38 -1.600 11.076 7.947 1.00 0.00 C ATOM 557 CG GLU A 38 -1.048 10.655 9.299 1.00 0.00 C ATOM 558 CD GLU A 38 0.229 11.387 9.662 1.00 0.00 C ATOM 559 OE1 GLU A 38 1.249 11.176 8.973 1.00 0.00 O ATOM 560 OE2 GLU A 38 0.209 12.170 10.634 1.00 0.00 O ATOM 0 H GLU A 38 -2.531 9.014 6.728 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.599 10.894 8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.029 10.582 7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.452 12.149 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.799 10.840 10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.857 9.582 9.291 1.00 0.00 H new ATOM 567 N PRO A 39 -4.312 12.786 7.225 1.00 0.00 N ATOM 568 CA PRO A 39 -4.950 13.788 6.366 1.00 0.00 C ATOM 569 C PRO A 39 -3.935 14.600 5.570 1.00 0.00 C ATOM 570 O PRO A 39 -2.770 14.703 5.952 1.00 0.00 O ATOM 571 CB PRO A 39 -5.692 14.686 7.360 1.00 0.00 C ATOM 572 CG PRO A 39 -4.943 14.534 8.639 1.00 0.00 C ATOM 573 CD PRO A 39 -4.431 13.121 8.654 1.00 0.00 C ATOM 0 HA PRO A 39 -5.597 13.331 5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.700 15.724 7.027 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.732 14.379 7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.121 15.247 8.697 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.590 14.724 9.495 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.471 13.047 9.165 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.119 12.450 9.168 1.00 0.00 H new ATOM 581 N GLY A 40 -4.385 15.177 4.459 1.00 0.00 N ATOM 582 CA GLY A 40 -3.502 15.973 3.626 1.00 0.00 C ATOM 583 C GLY A 40 -2.146 15.324 3.434 1.00 0.00 C ATOM 584 O GLY A 40 -1.162 16.003 3.140 1.00 0.00 O ATOM 0 H GLY A 40 -5.345 15.107 4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.968 16.129 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.370 16.956 4.077 1.00 0.00 H new ATOM 588 N SER A 41 -2.092 14.007 3.602 1.00 0.00 N ATOM 589 CA SER A 41 -0.845 13.267 3.451 1.00 0.00 C ATOM 590 C SER A 41 -0.765 12.612 2.075 1.00 0.00 C ATOM 591 O SER A 41 -1.778 12.348 1.426 1.00 0.00 O ATOM 592 CB SER A 41 -0.722 12.203 4.543 1.00 0.00 C ATOM 593 OG SER A 41 -1.478 11.049 4.218 1.00 0.00 O ATOM 0 H SER A 41 -2.898 13.430 3.843 1.00 0.00 H new ATOM 0 HA SER A 41 -0.019 13.972 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.325 11.931 4.673 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.066 12.611 5.493 1.00 0.00 H new ATOM 0 HG SER A 41 -2.416 11.193 4.463 1.00 0.00 H new ATOM 599 N PRO A 42 0.467 12.343 1.619 1.00 0.00 N ATOM 600 CA PRO A 42 0.709 11.714 0.317 1.00 0.00 C ATOM 601 C PRO A 42 -0.166 10.486 0.094 1.00 0.00 C ATOM 602 O PRO A 42 -0.478 10.133 -1.043 1.00 0.00 O ATOM 603 CB PRO A 42 2.185 11.314 0.386 1.00 0.00 C ATOM 604 CG PRO A 42 2.791 12.265 1.360 1.00 0.00 C ATOM 605 CD PRO A 42 1.718 12.630 2.340 1.00 0.00 C ATOM 0 HA PRO A 42 0.473 12.384 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.300 10.282 0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.662 11.391 -0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.639 11.807 1.869 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.166 13.152 0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.796 12.042 3.255 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.781 13.679 2.629 1.00 0.00 H new ATOM 613 N ALA A 43 -0.559 9.839 1.186 1.00 0.00 N ATOM 614 CA ALA A 43 -1.400 8.651 1.110 1.00 0.00 C ATOM 615 C ALA A 43 -2.848 9.022 0.806 1.00 0.00 C ATOM 616 O ALA A 43 -3.426 8.552 -0.173 1.00 0.00 O ATOM 617 CB ALA A 43 -1.317 7.860 2.407 1.00 0.00 C ATOM 0 H ALA A 43 -0.308 10.118 2.135 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.033 8.028 0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.950 6.976 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.285 7.554 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.656 8.483 3.235 1.00 0.00 H new ATOM 623 N GLU A 44 -3.427 9.868 1.653 1.00 0.00 N ATOM 624 CA GLU A 44 -4.808 10.300 1.474 1.00 0.00 C ATOM 625 C GLU A 44 -4.983 11.028 0.145 1.00 0.00 C ATOM 626 O GLU A 44 -5.960 10.809 -0.571 1.00 0.00 O ATOM 627 CB GLU A 44 -5.234 11.212 2.627 1.00 0.00 C ATOM 628 CG GLU A 44 -6.701 11.602 2.585 1.00 0.00 C ATOM 629 CD GLU A 44 -7.621 10.458 2.965 1.00 0.00 C ATOM 630 OE1 GLU A 44 -7.813 10.229 4.177 1.00 0.00 O ATOM 631 OE2 GLU A 44 -8.148 9.792 2.050 1.00 0.00 O ATOM 0 H GLU A 44 -2.962 10.267 2.468 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.441 9.413 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.027 10.709 3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.626 12.116 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.870 12.439 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.952 11.948 1.582 1.00 0.00 H new ATOM 638 N ALA A 45 -4.029 11.895 -0.178 1.00 0.00 N ATOM 639 CA ALA A 45 -4.076 12.655 -1.421 1.00 0.00 C ATOM 640 C ALA A 45 -3.841 11.750 -2.627 1.00 0.00 C ATOM 641 O ALA A 45 -4.376 11.991 -3.708 1.00 0.00 O ATOM 642 CB ALA A 45 -3.049 13.777 -1.394 1.00 0.00 C ATOM 0 H ALA A 45 -3.214 12.089 0.404 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.071 13.090 -1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.096 14.336 -2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.263 14.446 -0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.052 13.354 -1.274 1.00 0.00 H new ATOM 648 N ALA A 46 -3.038 10.710 -2.432 1.00 0.00 N ATOM 649 CA ALA A 46 -2.733 9.769 -3.503 1.00 0.00 C ATOM 650 C ALA A 46 -3.998 9.078 -4.002 1.00 0.00 C ATOM 651 O ALA A 46 -4.109 8.742 -5.181 1.00 0.00 O ATOM 652 CB ALA A 46 -1.720 8.738 -3.028 1.00 0.00 C ATOM 0 H ALA A 46 -2.587 10.497 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.303 10.329 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.502 8.042 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.802 9.242 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.129 8.190 -2.179 1.00 0.00 H new ATOM 658 N GLY A 47 -4.950 8.869 -3.098 1.00 0.00 N ATOM 659 CA GLY A 47 -6.193 8.218 -3.466 1.00 0.00 C ATOM 660 C GLY A 47 -6.396 6.902 -2.743 1.00 0.00 C ATOM 661 O GLY A 47 -7.347 6.171 -3.022 1.00 0.00 O ATOM 0 H GLY A 47 -4.882 9.139 -2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.027 8.883 -3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.203 8.043 -4.542 1.00 0.00 H new ATOM 665 N LEU A 48 -5.499 6.596 -1.812 1.00 0.00 N ATOM 666 CA LEU A 48 -5.582 5.357 -1.046 1.00 0.00 C ATOM 667 C LEU A 48 -6.951 5.213 -0.390 1.00 0.00 C ATOM 668 O LEU A 48 -7.844 6.034 -0.604 1.00 0.00 O ATOM 669 CB LEU A 48 -4.486 5.319 0.020 1.00 0.00 C ATOM 670 CG LEU A 48 -3.157 4.693 -0.405 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.184 4.660 0.764 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.379 3.293 -0.957 1.00 0.00 C ATOM 0 H LEU A 48 -4.705 7.189 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.440 4.523 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.294 6.339 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.864 4.769 0.882 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.724 5.308 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.244 4.211 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.000 5.676 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.610 4.069 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.422 2.863 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.835 2.667 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.039 3.344 -1.823 1.00 0.00 H new ATOM 684 N LYS A 49 -7.110 4.166 0.412 1.00 0.00 N ATOM 685 CA LYS A 49 -8.369 3.915 1.104 1.00 0.00 C ATOM 686 C LYS A 49 -8.161 2.981 2.291 1.00 0.00 C ATOM 687 O LYS A 49 -7.495 1.953 2.175 1.00 0.00 O ATOM 688 CB LYS A 49 -9.393 3.312 0.140 1.00 0.00 C ATOM 689 CG LYS A 49 -10.018 4.329 -0.799 1.00 0.00 C ATOM 690 CD LYS A 49 -11.433 3.934 -1.187 1.00 0.00 C ATOM 691 CE LYS A 49 -12.237 5.136 -1.658 1.00 0.00 C ATOM 692 NZ LYS A 49 -11.676 5.723 -2.907 1.00 0.00 N ATOM 0 H LYS A 49 -6.382 3.477 0.599 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.746 4.868 1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.909 2.534 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.182 2.830 0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.031 5.308 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.406 4.421 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.399 3.185 -1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.931 3.474 -0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.271 4.837 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.250 5.894 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.290 6.497 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.722 6.093 -2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.624 4.989 -3.642 1.00 0.00 H new ATOM 706 N ASN A 50 -8.736 3.345 3.433 1.00 0.00 N ATOM 707 CA ASN A 50 -8.613 2.539 4.642 1.00 0.00 C ATOM 708 C ASN A 50 -9.026 1.094 4.376 1.00 0.00 C ATOM 709 O ASN A 50 -9.935 0.833 3.589 1.00 0.00 O ATOM 710 CB ASN A 50 -9.472 3.128 5.763 1.00 0.00 C ATOM 711 CG ASN A 50 -8.892 4.414 6.320 1.00 0.00 C ATOM 712 OD1 ASN A 50 -7.731 4.312 6.957 1.00 0.00 O flip ATOM 713 ND2 ASN A 50 -9.481 5.486 6.178 1.00 0.00 N flip ATOM 0 H ASN A 50 -9.292 4.193 3.546 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.568 2.549 4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.476 3.319 5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.567 2.397 6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.371 5.517 5.681 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.079 6.343 6.557 1.00 0.00 H new ATOM 720 N ASN A 51 -8.351 0.160 5.038 1.00 0.00 N ATOM 721 CA ASN A 51 -8.648 -1.258 4.873 1.00 0.00 C ATOM 722 C ASN A 51 -8.223 -1.746 3.491 1.00 0.00 C ATOM 723 O ASN A 51 -8.841 -2.647 2.923 1.00 0.00 O ATOM 724 CB ASN A 51 -10.142 -1.516 5.080 1.00 0.00 C ATOM 725 CG ASN A 51 -10.725 -0.669 6.194 1.00 0.00 C ATOM 726 OD1 ASN A 51 -10.914 0.538 6.039 1.00 0.00 O ATOM 727 ND2 ASN A 51 -11.015 -1.299 7.327 1.00 0.00 N ATOM 0 H ASN A 51 -7.595 0.359 5.693 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.083 -1.811 5.624 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.676 -1.309 4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.298 -2.570 5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.411 -0.781 8.112 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.842 -2.301 7.412 1.00 0.00 H new ATOM 734 N ASP A 52 -7.165 -1.146 2.958 1.00 0.00 N ATOM 735 CA ASP A 52 -6.655 -1.520 1.644 1.00 0.00 C ATOM 736 C ASP A 52 -5.623 -2.637 1.759 1.00 0.00 C ATOM 737 O ASP A 52 -4.585 -2.474 2.401 1.00 0.00 O ATOM 738 CB ASP A 52 -6.036 -0.306 0.949 1.00 0.00 C ATOM 739 CG ASP A 52 -7.049 0.470 0.129 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.261 0.215 0.287 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.628 1.333 -0.669 1.00 0.00 O ATOM 0 H ASP A 52 -6.643 -0.398 3.416 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.492 -1.883 1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.597 0.353 1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.225 -0.637 0.301 1.00 0.00 H new ATOM 746 N LEU A 53 -5.915 -3.772 1.134 1.00 0.00 N ATOM 747 CA LEU A 53 -5.012 -4.918 1.166 1.00 0.00 C ATOM 748 C LEU A 53 -4.064 -4.898 -0.028 1.00 0.00 C ATOM 749 O LEU A 53 -4.498 -4.905 -1.180 1.00 0.00 O ATOM 750 CB LEU A 53 -5.812 -6.222 1.175 1.00 0.00 C ATOM 751 CG LEU A 53 -4.997 -7.508 1.315 1.00 0.00 C ATOM 752 CD1 LEU A 53 -4.632 -7.754 2.771 1.00 0.00 C ATOM 753 CD2 LEU A 53 -5.767 -8.692 0.749 1.00 0.00 C ATOM 0 H LEU A 53 -6.770 -3.924 0.599 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.419 -4.856 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.529 -6.179 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.387 -6.279 0.251 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.075 -7.394 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.052 -8.674 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.040 -6.918 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.542 -7.847 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.172 -9.599 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.706 -8.808 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.976 -8.519 -0.307 1.00 0.00 H new ATOM 765 N VAL A 54 -2.765 -4.876 0.255 1.00 0.00 N ATOM 766 CA VAL A 54 -1.754 -4.859 -0.796 1.00 0.00 C ATOM 767 C VAL A 54 -1.182 -6.252 -1.031 1.00 0.00 C ATOM 768 O VAL A 54 -0.782 -6.938 -0.090 1.00 0.00 O ATOM 769 CB VAL A 54 -0.603 -3.895 -0.452 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.344 -3.750 -1.633 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.152 -2.540 -0.029 1.00 0.00 C ATOM 0 H VAL A 54 -2.388 -4.870 1.203 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.248 -4.514 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.041 -4.312 0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.150 -3.065 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.763 -4.724 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.202 -3.357 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.325 -1.871 0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.739 -2.115 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.786 -2.662 0.849 1.00 0.00 H new ATOM 781 N VAL A 55 -1.146 -6.666 -2.294 1.00 0.00 N ATOM 782 CA VAL A 55 -0.621 -7.977 -2.654 1.00 0.00 C ATOM 783 C VAL A 55 0.701 -7.854 -3.402 1.00 0.00 C ATOM 784 O VAL A 55 1.527 -8.766 -3.379 1.00 0.00 O ATOM 785 CB VAL A 55 -1.620 -8.761 -3.526 1.00 0.00 C ATOM 786 CG1 VAL A 55 -2.854 -9.136 -2.720 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.003 -7.951 -4.756 1.00 0.00 C ATOM 0 H VAL A 55 -1.474 -6.112 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.459 -8.519 -1.722 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.140 -9.681 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.548 -9.689 -3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.561 -9.757 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.339 -8.231 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.709 -8.520 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.464 -7.014 -4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.110 -7.739 -5.344 1.00 0.00 H new ATOM 797 N ALA A 56 0.897 -6.718 -4.064 1.00 0.00 N ATOM 798 CA ALA A 56 2.120 -6.474 -4.817 1.00 0.00 C ATOM 799 C ALA A 56 2.606 -5.041 -4.626 1.00 0.00 C ATOM 800 O ALA A 56 1.808 -4.129 -4.405 1.00 0.00 O ATOM 801 CB ALA A 56 1.899 -6.765 -6.294 1.00 0.00 C ATOM 0 H ALA A 56 0.224 -5.952 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 56 2.890 -7.145 -4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.822 -6.578 -6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.607 -7.807 -6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.110 -6.118 -6.678 1.00 0.00 H new ATOM 807 N VAL A 57 3.918 -4.848 -4.712 1.00 0.00 N ATOM 808 CA VAL A 57 4.509 -3.526 -4.548 1.00 0.00 C ATOM 809 C VAL A 57 5.594 -3.276 -5.591 1.00 0.00 C ATOM 810 O VAL A 57 6.613 -3.964 -5.617 1.00 0.00 O ATOM 811 CB VAL A 57 5.114 -3.351 -3.143 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.761 -1.981 -3.006 1.00 0.00 C ATOM 813 CG2 VAL A 57 4.050 -3.557 -2.076 1.00 0.00 C ATOM 0 H VAL A 57 4.592 -5.591 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 57 3.705 -2.802 -4.682 1.00 0.00 H new ATOM 0 HB VAL A 57 5.887 -4.106 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.183 -1.876 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.554 -1.877 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.011 -1.207 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.495 -3.430 -1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.253 -2.826 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.639 -4.563 -2.162 1.00 0.00 H new ATOM 823 N ASN A 58 5.366 -2.287 -6.448 1.00 0.00 N ATOM 824 CA ASN A 58 6.324 -1.945 -7.494 1.00 0.00 C ATOM 825 C ASN A 58 6.544 -3.125 -8.435 1.00 0.00 C ATOM 826 O ASN A 58 7.669 -3.397 -8.854 1.00 0.00 O ATOM 827 CB ASN A 58 7.655 -1.517 -6.874 1.00 0.00 C ATOM 828 CG ASN A 58 7.717 -0.025 -6.611 1.00 0.00 C ATOM 829 OD1 ASN A 58 6.943 0.749 -7.175 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.641 0.387 -5.750 1.00 0.00 N ATOM 0 H ASN A 58 4.526 -1.708 -6.439 1.00 0.00 H new ATOM 0 HA ASN A 58 5.916 -1.115 -8.070 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.806 -2.055 -5.938 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.470 -1.800 -7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.730 1.380 -5.533 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.262 -0.289 -5.306 1.00 0.00 H new ATOM 837 N GLY A 59 5.462 -3.823 -8.765 1.00 0.00 N ATOM 838 CA GLY A 59 5.558 -4.966 -9.655 1.00 0.00 C ATOM 839 C GLY A 59 6.261 -6.144 -9.012 1.00 0.00 C ATOM 840 O GLY A 59 7.015 -6.862 -9.669 1.00 0.00 O ATOM 0 H GLY A 59 4.520 -3.618 -8.432 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.557 -5.268 -9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.095 -4.675 -10.558 1.00 0.00 H new ATOM 844 N LYS A 60 6.016 -6.345 -7.721 1.00 0.00 N ATOM 845 CA LYS A 60 6.631 -7.444 -6.987 1.00 0.00 C ATOM 846 C LYS A 60 5.645 -8.056 -5.997 1.00 0.00 C ATOM 847 O LYS A 60 4.925 -7.341 -5.301 1.00 0.00 O ATOM 848 CB LYS A 60 7.878 -6.956 -6.246 1.00 0.00 C ATOM 849 CG LYS A 60 8.970 -6.439 -7.166 1.00 0.00 C ATOM 850 CD LYS A 60 10.300 -6.322 -6.442 1.00 0.00 C ATOM 851 CE LYS A 60 10.470 -4.951 -5.806 1.00 0.00 C ATOM 852 NZ LYS A 60 9.479 -4.718 -4.719 1.00 0.00 N ATOM 0 H LYS A 60 5.395 -5.760 -7.162 1.00 0.00 H new ATOM 0 HA LYS A 60 6.920 -8.211 -7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.592 -6.164 -5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.277 -7.774 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.077 -7.110 -8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.683 -5.465 -7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.366 -7.092 -5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.114 -6.502 -7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.479 -4.860 -5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.360 -4.180 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.819 -3.957 -4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.566 -4.444 -5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.360 -5.590 -4.165 1.00 0.00 H new ATOM 866 N SER A 61 5.620 -9.384 -5.939 1.00 0.00 N ATOM 867 CA SER A 61 4.720 -10.092 -5.035 1.00 0.00 C ATOM 868 C SER A 61 5.147 -9.901 -3.583 1.00 0.00 C ATOM 869 O SER A 61 6.276 -10.219 -3.209 1.00 0.00 O ATOM 870 CB SER A 61 4.689 -11.583 -5.378 1.00 0.00 C ATOM 871 OG SER A 61 6.000 -12.097 -5.539 1.00 0.00 O ATOM 0 H SER A 61 6.212 -9.991 -6.506 1.00 0.00 H new ATOM 0 HA SER A 61 3.720 -9.677 -5.158 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.175 -12.130 -4.588 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.120 -11.737 -6.295 1.00 0.00 H new ATOM 0 HG SER A 61 6.573 -11.762 -4.818 1.00 0.00 H new ATOM 877 N VAL A 62 4.236 -9.378 -2.769 1.00 0.00 N ATOM 878 CA VAL A 62 4.517 -9.145 -1.357 1.00 0.00 C ATOM 879 C VAL A 62 3.488 -9.837 -0.471 1.00 0.00 C ATOM 880 O VAL A 62 3.691 -9.985 0.734 1.00 0.00 O ATOM 881 CB VAL A 62 4.531 -7.640 -1.029 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.313 -6.871 -2.083 1.00 0.00 C ATOM 883 CG2 VAL A 62 3.111 -7.107 -0.913 1.00 0.00 C ATOM 0 H VAL A 62 3.297 -9.108 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 62 5.504 -9.562 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 62 5.027 -7.500 -0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.312 -5.810 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.340 -7.236 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.848 -7.016 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.140 -6.042 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.587 -7.259 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.587 -7.638 -0.118 1.00 0.00 H new ATOM 893 N GLU A 63 2.382 -10.260 -1.076 1.00 0.00 N ATOM 894 CA GLU A 63 1.321 -10.937 -0.340 1.00 0.00 C ATOM 895 C GLU A 63 1.877 -12.110 0.461 1.00 0.00 C ATOM 896 O GLU A 63 1.329 -12.483 1.498 1.00 0.00 O ATOM 897 CB GLU A 63 0.237 -11.430 -1.302 1.00 0.00 C ATOM 898 CG GLU A 63 0.528 -12.798 -1.896 1.00 0.00 C ATOM 899 CD GLU A 63 -0.040 -12.959 -3.293 1.00 0.00 C ATOM 900 OE1 GLU A 63 0.454 -12.281 -4.217 1.00 0.00 O ATOM 901 OE2 GLU A 63 -0.979 -13.765 -3.461 1.00 0.00 O ATOM 0 H GLU A 63 2.198 -10.146 -2.073 1.00 0.00 H new ATOM 0 HA GLU A 63 0.882 -10.221 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.716 -11.467 -0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.125 -10.708 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.606 -12.955 -1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.111 -13.568 -1.247 1.00 0.00 H new ATOM 908 N ALA A 64 2.969 -12.689 -0.029 1.00 0.00 N ATOM 909 CA ALA A 64 3.601 -13.818 0.642 1.00 0.00 C ATOM 910 C ALA A 64 4.508 -13.348 1.774 1.00 0.00 C ATOM 911 O ALA A 64 4.780 -14.093 2.716 1.00 0.00 O ATOM 912 CB ALA A 64 4.390 -14.651 -0.358 1.00 0.00 C ATOM 0 H ALA A 64 3.434 -12.395 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 64 2.815 -14.437 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.857 -15.491 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.718 -15.026 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.161 -14.033 -0.818 1.00 0.00 H new ATOM 918 N LEU A 65 4.974 -12.108 1.675 1.00 0.00 N ATOM 919 CA LEU A 65 5.852 -11.538 2.691 1.00 0.00 C ATOM 920 C LEU A 65 5.069 -11.184 3.951 1.00 0.00 C ATOM 921 O LEU A 65 3.858 -11.399 4.023 1.00 0.00 O ATOM 922 CB LEU A 65 6.554 -10.293 2.147 1.00 0.00 C ATOM 923 CG LEU A 65 7.896 -10.528 1.453 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.309 -9.299 0.658 1.00 0.00 C ATOM 925 CD2 LEU A 65 8.967 -10.890 2.472 1.00 0.00 C ATOM 0 H LEU A 65 4.759 -11.478 0.902 1.00 0.00 H new ATOM 0 HA LEU A 65 6.601 -12.286 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.884 -9.802 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.711 -9.599 2.973 1.00 0.00 H new ATOM 0 HG LEU A 65 7.784 -11.362 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.266 -9.485 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.554 -9.084 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.404 -8.446 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.915 -11.054 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.077 -10.076 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.677 -11.800 2.998 1.00 0.00 H new ATOM 937 N ASP A 66 5.766 -10.638 4.942 1.00 0.00 N ATOM 938 CA ASP A 66 5.135 -10.251 6.198 1.00 0.00 C ATOM 939 C ASP A 66 5.212 -8.741 6.402 1.00 0.00 C ATOM 940 O ASP A 66 5.712 -8.013 5.544 1.00 0.00 O ATOM 941 CB ASP A 66 5.802 -10.971 7.371 1.00 0.00 C ATOM 942 CG ASP A 66 7.290 -11.167 7.160 1.00 0.00 C ATOM 943 OD1 ASP A 66 8.067 -10.267 7.542 1.00 0.00 O ATOM 944 OD2 ASP A 66 7.679 -12.219 6.612 1.00 0.00 O ATOM 0 H ASP A 66 6.768 -10.454 4.899 1.00 0.00 H new ATOM 0 HA ASP A 66 4.085 -10.541 6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.640 -10.399 8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.328 -11.942 7.515 1.00 0.00 H new ATOM 949 N HIS A 67 4.711 -8.277 7.542 1.00 0.00 N ATOM 950 CA HIS A 67 4.723 -6.853 7.859 1.00 0.00 C ATOM 951 C HIS A 67 6.015 -6.200 7.377 1.00 0.00 C ATOM 952 O HIS A 67 6.004 -5.390 6.449 1.00 0.00 O ATOM 953 CB HIS A 67 4.562 -6.642 9.364 1.00 0.00 C ATOM 954 CG HIS A 67 4.629 -5.204 9.778 1.00 0.00 C ATOM 955 ND1 HIS A 67 5.543 -4.245 9.503 1.00 0.00 N flip ATOM 956 CD2 HIS A 67 3.676 -4.606 10.575 1.00 0.00 C flip ATOM 957 CE1 HIS A 67 5.129 -3.096 10.131 1.00 0.00 C flip ATOM 958 NE2 HIS A 67 4.000 -3.340 10.770 1.00 0.00 N flip ATOM 0 H HIS A 67 4.292 -8.866 8.262 1.00 0.00 H new ATOM 0 HA HIS A 67 3.885 -6.384 7.343 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.606 -7.058 9.681 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.341 -7.198 9.886 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.801 -5.096 10.977 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.644 -2.147 10.106 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.468 -2.666 11.321 1.00 0.00 H new ATOM 967 N ASP A 68 7.125 -6.556 8.013 1.00 0.00 N ATOM 968 CA ASP A 68 8.425 -6.005 7.649 1.00 0.00 C ATOM 969 C ASP A 68 8.694 -6.185 6.158 1.00 0.00 C ATOM 970 O ASP A 68 8.916 -5.215 5.435 1.00 0.00 O ATOM 971 CB ASP A 68 9.533 -6.674 8.464 1.00 0.00 C ATOM 972 CG ASP A 68 9.628 -6.124 9.874 1.00 0.00 C ATOM 973 OD1 ASP A 68 9.601 -4.885 10.029 1.00 0.00 O ATOM 974 OD2 ASP A 68 9.729 -6.932 10.821 1.00 0.00 O ATOM 0 H ASP A 68 7.151 -7.224 8.783 1.00 0.00 H new ATOM 0 HA ASP A 68 8.415 -4.938 7.872 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.350 -7.748 8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.488 -6.534 7.957 1.00 0.00 H new ATOM 979 N GLY A 69 8.673 -7.435 5.705 1.00 0.00 N ATOM 980 CA GLY A 69 8.917 -7.720 4.303 1.00 0.00 C ATOM 981 C GLY A 69 8.247 -6.719 3.383 1.00 0.00 C ATOM 982 O GLY A 69 8.916 -6.018 2.624 1.00 0.00 O ATOM 0 H GLY A 69 8.491 -8.255 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.991 -7.718 4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.555 -8.721 4.071 1.00 0.00 H new ATOM 986 N VAL A 70 6.921 -6.653 3.448 1.00 0.00 N ATOM 987 CA VAL A 70 6.159 -5.732 2.614 1.00 0.00 C ATOM 988 C VAL A 70 6.593 -4.289 2.851 1.00 0.00 C ATOM 989 O VAL A 70 6.868 -3.549 1.907 1.00 0.00 O ATOM 990 CB VAL A 70 4.647 -5.852 2.880 1.00 0.00 C ATOM 991 CG1 VAL A 70 3.865 -4.956 1.932 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.197 -7.300 2.751 1.00 0.00 C ATOM 0 H VAL A 70 6.352 -7.227 4.070 1.00 0.00 H new ATOM 0 HA VAL A 70 6.360 -6.004 1.578 1.00 0.00 H new ATOM 0 HB VAL A 70 4.448 -5.523 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.799 -5.054 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.168 -3.919 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.067 -5.251 0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.126 -7.367 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.409 -7.658 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.734 -7.914 3.475 1.00 0.00 H new ATOM 1002 N VAL A 71 6.652 -3.896 4.119 1.00 0.00 N ATOM 1003 CA VAL A 71 7.054 -2.542 4.482 1.00 0.00 C ATOM 1004 C VAL A 71 8.486 -2.258 4.044 1.00 0.00 C ATOM 1005 O VAL A 71 8.903 -1.103 3.965 1.00 0.00 O ATOM 1006 CB VAL A 71 6.937 -2.310 6.000 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.346 -0.889 6.356 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.522 -2.601 6.476 1.00 0.00 C ATOM 0 H VAL A 71 6.427 -4.496 4.912 1.00 0.00 H new ATOM 0 HA VAL A 71 6.378 -1.861 3.965 1.00 0.00 H new ATOM 0 HB VAL A 71 7.615 -2.996 6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.257 -0.744 7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.379 -0.721 6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.696 -0.183 5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.458 -2.432 7.551 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.822 -1.941 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.270 -3.639 6.256 1.00 0.00 H new ATOM 1018 N GLU A 72 9.234 -3.320 3.760 1.00 0.00 N ATOM 1019 CA GLU A 72 10.620 -3.184 3.330 1.00 0.00 C ATOM 1020 C GLU A 72 10.698 -2.819 1.850 1.00 0.00 C ATOM 1021 O GLU A 72 11.367 -1.859 1.471 1.00 0.00 O ATOM 1022 CB GLU A 72 11.387 -4.482 3.588 1.00 0.00 C ATOM 1023 CG GLU A 72 12.897 -4.315 3.553 1.00 0.00 C ATOM 1024 CD GLU A 72 13.475 -3.951 4.907 1.00 0.00 C ATOM 1025 OE1 GLU A 72 12.916 -3.050 5.567 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.486 -4.566 5.306 1.00 0.00 O ATOM 0 H GLU A 72 8.903 -4.283 3.820 1.00 0.00 H new ATOM 0 HA GLU A 72 11.076 -2.380 3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.096 -4.878 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.094 -5.221 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.353 -5.242 3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.157 -3.541 2.831 1.00 0.00 H new ATOM 1033 N MET A 73 10.009 -3.595 1.019 1.00 0.00 N ATOM 1034 CA MET A 73 9.999 -3.354 -0.419 1.00 0.00 C ATOM 1035 C MET A 73 9.597 -1.915 -0.726 1.00 0.00 C ATOM 1036 O MET A 73 10.198 -1.262 -1.581 1.00 0.00 O ATOM 1037 CB MET A 73 9.040 -4.322 -1.113 1.00 0.00 C ATOM 1038 CG MET A 73 9.368 -5.786 -0.865 1.00 0.00 C ATOM 1039 SD MET A 73 10.567 -6.438 -2.042 1.00 0.00 S ATOM 1040 CE MET A 73 9.692 -7.875 -2.656 1.00 0.00 C ATOM 0 H MET A 73 9.451 -4.395 1.317 1.00 0.00 H new ATOM 0 HA MET A 73 11.008 -3.520 -0.797 1.00 0.00 H new ATOM 0 HB2 MET A 73 8.025 -4.123 -0.770 1.00 0.00 H new ATOM 0 HB3 MET A 73 9.058 -4.131 -2.186 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.758 -5.901 0.146 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.452 -6.374 -0.922 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.128 -8.188 -3.605 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.774 -8.687 -1.933 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.641 -7.625 -2.804 1.00 0.00 H new ATOM 1050 N ILE A 74 8.579 -1.427 -0.025 1.00 0.00 N ATOM 1051 CA ILE A 74 8.099 -0.065 -0.224 1.00 0.00 C ATOM 1052 C ILE A 74 9.218 0.949 -0.009 1.00 0.00 C ATOM 1053 O ILE A 74 9.319 1.940 -0.733 1.00 0.00 O ATOM 1054 CB ILE A 74 6.933 0.265 0.727 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.778 -0.715 0.511 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.466 1.697 0.515 1.00 0.00 C ATOM 1057 CD1 ILE A 74 4.790 -0.746 1.656 1.00 0.00 C ATOM 0 H ILE A 74 8.071 -1.954 0.685 1.00 0.00 H new ATOM 0 HA ILE A 74 7.747 -0.001 -1.254 1.00 0.00 H new ATOM 0 HB ILE A 74 7.282 0.166 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.252 -0.447 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.184 -1.716 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.642 1.915 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.291 2.382 0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.131 1.822 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.999 -1.462 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.303 -1.043 2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.356 0.245 1.789 1.00 0.00 H new ATOM 1069 N ARG A 75 10.057 0.694 0.990 1.00 0.00 N ATOM 1070 CA ARG A 75 11.169 1.584 1.300 1.00 0.00 C ATOM 1071 C ARG A 75 12.242 1.510 0.218 1.00 0.00 C ATOM 1072 O ARG A 75 13.020 2.447 0.034 1.00 0.00 O ATOM 1073 CB ARG A 75 11.774 1.225 2.659 1.00 0.00 C ATOM 1074 CG ARG A 75 11.111 1.937 3.827 1.00 0.00 C ATOM 1075 CD ARG A 75 11.432 1.256 5.148 1.00 0.00 C ATOM 1076 NE ARG A 75 11.389 2.190 6.270 1.00 0.00 N ATOM 1077 CZ ARG A 75 12.024 1.989 7.419 1.00 0.00 C ATOM 1078 NH1 ARG A 75 12.748 0.892 7.597 1.00 0.00 N ATOM 1079 NH2 ARG A 75 11.937 2.886 8.393 1.00 0.00 N ATOM 0 H ARG A 75 9.987 -0.122 1.598 1.00 0.00 H new ATOM 0 HA ARG A 75 10.786 2.604 1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.696 0.148 2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.836 1.470 2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.446 2.974 3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.031 1.955 3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.721 0.448 5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.422 0.803 5.091 1.00 0.00 H new ATOM 0 HE ARG A 75 10.841 3.044 6.165 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.818 0.200 6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.235 0.740 8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.382 3.731 8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.425 2.730 9.275 1.00 0.00 H new ATOM 1093 N LYS A 76 12.280 0.389 -0.495 1.00 0.00 N ATOM 1094 CA LYS A 76 13.257 0.192 -1.560 1.00 0.00 C ATOM 1095 C LYS A 76 12.908 1.035 -2.782 1.00 0.00 C ATOM 1096 O LYS A 76 13.771 1.344 -3.602 1.00 0.00 O ATOM 1097 CB LYS A 76 13.324 -1.287 -1.950 1.00 0.00 C ATOM 1098 CG LYS A 76 13.576 -2.215 -0.774 1.00 0.00 C ATOM 1099 CD LYS A 76 15.062 -2.380 -0.503 1.00 0.00 C ATOM 1100 CE LYS A 76 15.675 -3.456 -1.386 1.00 0.00 C ATOM 1101 NZ LYS A 76 15.307 -4.824 -0.929 1.00 0.00 N ATOM 0 H LYS A 76 11.645 -0.397 -0.355 1.00 0.00 H new ATOM 0 HA LYS A 76 14.231 0.509 -1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.388 -1.570 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.116 -1.424 -2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.085 -1.819 0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.132 -3.190 -0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.572 -1.432 -0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.215 -2.637 0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.342 -3.315 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.760 -3.352 -1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.886 -5.526 -1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.476 -4.906 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.301 -4.998 -1.128 1.00 0.00 H new ATOM 1115 N GLY A 77 11.636 1.407 -2.896 1.00 0.00 N ATOM 1116 CA GLY A 77 11.197 2.213 -4.020 1.00 0.00 C ATOM 1117 C GLY A 77 11.645 3.656 -3.909 1.00 0.00 C ATOM 1118 O GLY A 77 11.312 4.484 -4.756 1.00 0.00 O ATOM 0 H GLY A 77 10.902 1.164 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.586 1.785 -4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.110 2.178 -4.086 1.00 0.00 H new ATOM 1122 N GLY A 78 12.403 3.960 -2.859 1.00 0.00 N ATOM 1123 CA GLY A 78 12.883 5.315 -2.658 1.00 0.00 C ATOM 1124 C GLY A 78 11.796 6.249 -2.166 1.00 0.00 C ATOM 1125 O GLY A 78 10.911 5.841 -1.413 1.00 0.00 O ATOM 0 H GLY A 78 12.693 3.292 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.701 5.304 -1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.288 5.696 -3.595 1.00 0.00 H new ATOM 1129 N ASP A 79 11.861 7.506 -2.589 1.00 0.00 N ATOM 1130 CA ASP A 79 10.875 8.502 -2.186 1.00 0.00 C ATOM 1131 C ASP A 79 9.464 8.046 -2.548 1.00 0.00 C ATOM 1132 O ASP A 79 8.586 7.977 -1.689 1.00 0.00 O ATOM 1133 CB ASP A 79 11.175 9.847 -2.849 1.00 0.00 C ATOM 1134 CG ASP A 79 11.677 9.692 -4.271 1.00 0.00 C ATOM 1135 OD1 ASP A 79 12.734 9.054 -4.462 1.00 0.00 O ATOM 1136 OD2 ASP A 79 11.012 10.207 -5.194 1.00 0.00 O ATOM 0 H ASP A 79 12.587 7.860 -3.212 1.00 0.00 H new ATOM 0 HA ASP A 79 10.935 8.619 -1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.272 10.458 -2.850 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.920 10.381 -2.260 1.00 0.00 H new ATOM 1141 N GLN A 80 9.256 7.738 -3.824 1.00 0.00 N ATOM 1142 CA GLN A 80 7.952 7.291 -4.298 1.00 0.00 C ATOM 1143 C GLN A 80 7.945 5.784 -4.534 1.00 0.00 C ATOM 1144 O GLN A 80 8.994 5.173 -4.742 1.00 0.00 O ATOM 1145 CB GLN A 80 7.577 8.023 -5.588 1.00 0.00 C ATOM 1146 CG GLN A 80 8.361 7.554 -6.803 1.00 0.00 C ATOM 1147 CD GLN A 80 8.357 8.571 -7.928 1.00 0.00 C ATOM 1148 OE1 GLN A 80 9.391 9.155 -8.255 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.192 8.787 -8.527 1.00 0.00 N ATOM 0 H GLN A 80 9.973 7.790 -4.547 1.00 0.00 H new ATOM 0 HA GLN A 80 7.215 7.523 -3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.512 7.886 -5.778 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.741 9.092 -5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.390 7.347 -6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.938 6.617 -7.164 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.361 8.280 -8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.128 9.460 -9.291 1.00 0.00 H new ATOM 1158 N THR A 81 6.757 5.190 -4.499 1.00 0.00 N ATOM 1159 CA THR A 81 6.614 3.754 -4.708 1.00 0.00 C ATOM 1160 C THR A 81 5.192 3.399 -5.129 1.00 0.00 C ATOM 1161 O THR A 81 4.222 3.935 -4.594 1.00 0.00 O ATOM 1162 CB THR A 81 6.972 2.964 -3.435 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.762 1.564 -3.653 1.00 0.00 O ATOM 1164 CG2 THR A 81 6.134 3.430 -2.254 1.00 0.00 C ATOM 0 H THR A 81 5.879 5.681 -4.328 1.00 0.00 H new ATOM 0 HA THR A 81 7.305 3.479 -5.505 1.00 0.00 H new ATOM 0 HB THR A 81 8.023 3.143 -3.206 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.679 1.107 -2.790 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.405 2.857 -1.367 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.318 4.489 -2.073 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.078 3.278 -2.475 1.00 0.00 H new ATOM 1172 N THR A 82 5.076 2.491 -6.093 1.00 0.00 N ATOM 1173 CA THR A 82 3.773 2.064 -6.587 1.00 0.00 C ATOM 1174 C THR A 82 3.231 0.896 -5.771 1.00 0.00 C ATOM 1175 O THR A 82 3.945 -0.071 -5.502 1.00 0.00 O ATOM 1176 CB THR A 82 3.842 1.651 -8.070 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.291 2.754 -8.865 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.482 1.183 -8.565 1.00 0.00 C ATOM 0 H THR A 82 5.869 2.037 -6.547 1.00 0.00 H new ATOM 0 HA THR A 82 3.102 2.917 -6.486 1.00 0.00 H new ATOM 0 HB THR A 82 4.548 0.826 -8.162 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.334 2.483 -9.806 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.555 0.897 -9.614 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.156 0.325 -7.977 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.758 1.991 -8.459 1.00 0.00 H new ATOM 1186 N LEU A 83 1.965 0.991 -5.380 1.00 0.00 N ATOM 1187 CA LEU A 83 1.326 -0.059 -4.594 1.00 0.00 C ATOM 1188 C LEU A 83 0.197 -0.717 -5.380 1.00 0.00 C ATOM 1189 O LEU A 83 -0.348 -0.129 -6.315 1.00 0.00 O ATOM 1190 CB LEU A 83 0.782 0.516 -3.285 1.00 0.00 C ATOM 1191 CG LEU A 83 1.542 1.712 -2.710 1.00 0.00 C ATOM 1192 CD1 LEU A 83 1.006 2.074 -1.334 1.00 0.00 C ATOM 1193 CD2 LEU A 83 3.033 1.415 -2.642 1.00 0.00 C ATOM 0 H LEU A 83 1.361 1.784 -5.594 1.00 0.00 H new ATOM 0 HA LEU A 83 2.076 -0.816 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.255 0.813 -3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.775 -0.278 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 83 1.392 2.565 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.559 2.927 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.051 2.331 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.125 1.224 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.557 2.277 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.203 0.548 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.408 1.206 -3.644 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.149 -1.941 -4.995 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.215 -2.679 -5.663 1.00 0.00 C ATOM 1207 C LEU A 84 -2.220 -3.219 -4.651 1.00 0.00 C ATOM 1208 O LEU A 84 -1.979 -4.238 -4.003 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.629 -3.831 -6.481 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.629 -4.651 -7.298 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.410 -3.752 -8.244 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -0.912 -5.748 -8.072 1.00 0.00 C ATOM 0 H LEU A 84 0.293 -2.443 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.734 -1.993 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.118 -3.423 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.107 -4.504 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.333 -5.119 -6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.116 -4.353 -8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.954 -3.003 -7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.720 -3.255 -8.926 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.639 -6.322 -8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.185 -5.300 -8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.398 -6.409 -7.374 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.350 -2.531 -4.521 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.394 -2.942 -3.590 1.00 0.00 C ATOM 1226 C VAL A 85 -5.624 -3.451 -4.333 1.00 0.00 C ATOM 1227 O VAL A 85 -5.925 -3.000 -5.439 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.810 -1.784 -2.664 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.592 -0.983 -2.230 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -5.827 -0.889 -3.356 1.00 0.00 C ATOM 0 H VAL A 85 -3.566 -1.686 -5.049 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.978 -3.748 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.275 -2.204 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.906 -0.169 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.901 -1.633 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.095 -0.572 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.110 -0.076 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.389 -0.476 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.711 -1.473 -3.612 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.331 -4.393 -3.719 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.530 -4.964 -4.323 1.00 0.00 C ATOM 1242 C LEU A 86 -8.774 -4.187 -3.904 1.00 0.00 C ATOM 1243 O LEU A 86 -8.794 -3.549 -2.851 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.675 -6.434 -3.924 1.00 0.00 C ATOM 1245 CG LEU A 86 -7.044 -7.453 -4.873 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -7.984 -7.758 -6.030 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -5.707 -6.943 -5.391 1.00 0.00 C ATOM 0 H LEU A 86 -6.095 -4.777 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.429 -4.896 -5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.234 -6.567 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.737 -6.662 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.869 -8.376 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.518 -8.485 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.917 -8.166 -5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.191 -6.841 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.272 -7.681 -6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.858 -6.006 -5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.032 -6.776 -4.552 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.810 -4.247 -4.733 1.00 0.00 N ATOM 1260 CA ASP A 87 -11.059 -3.551 -4.447 1.00 0.00 C ATOM 1261 C ASP A 87 -12.124 -4.526 -3.955 1.00 0.00 C ATOM 1262 O ASP A 87 -12.784 -4.284 -2.944 1.00 0.00 O ATOM 1263 CB ASP A 87 -11.557 -2.819 -5.694 1.00 0.00 C ATOM 1264 CG ASP A 87 -12.927 -2.202 -5.495 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -13.903 -2.964 -5.336 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -13.024 -0.956 -5.499 1.00 0.00 O ATOM 0 H ASP A 87 -9.810 -4.770 -5.608 1.00 0.00 H new ATOM 0 HA ASP A 87 -10.868 -2.822 -3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.845 -2.038 -5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.594 -3.517 -6.531 1.00 0.00 H new ATOM 1271 N LYS A 88 -12.288 -5.629 -4.678 1.00 0.00 N ATOM 1272 CA LYS A 88 -13.273 -6.642 -4.317 1.00 0.00 C ATOM 1273 C LYS A 88 -12.820 -7.427 -3.090 1.00 0.00 C ATOM 1274 O LYS A 88 -13.638 -8.011 -2.380 1.00 0.00 O ATOM 1275 CB LYS A 88 -13.505 -7.597 -5.489 1.00 0.00 C ATOM 1276 CG LYS A 88 -12.234 -8.253 -6.002 1.00 0.00 C ATOM 1277 CD LYS A 88 -11.970 -9.577 -5.304 1.00 0.00 C ATOM 1278 CE LYS A 88 -12.732 -10.716 -5.963 1.00 0.00 C ATOM 1279 NZ LYS A 88 -14.117 -10.838 -5.429 1.00 0.00 N ATOM 0 H LYS A 88 -11.751 -5.844 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.208 -6.136 -4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.205 -8.373 -5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.976 -7.049 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -12.316 -8.417 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.389 -7.583 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.902 -9.793 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.261 -9.501 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.771 -10.552 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.197 -11.652 -5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.402 -11.838 -5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -14.148 -10.469 -4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.769 -10.292 -6.027 1.00 0.00 H new ATOM 1293 N GLU A 89 -11.513 -7.435 -2.846 1.00 0.00 N ATOM 1294 CA GLU A 89 -10.954 -8.148 -1.704 1.00 0.00 C ATOM 1295 C GLU A 89 -10.648 -7.186 -0.559 1.00 0.00 C ATOM 1296 O GLU A 89 -10.034 -7.566 0.437 1.00 0.00 O ATOM 1297 CB GLU A 89 -9.682 -8.893 -2.113 1.00 0.00 C ATOM 1298 CG GLU A 89 -9.934 -10.316 -2.581 1.00 0.00 C ATOM 1299 CD GLU A 89 -10.604 -11.169 -1.521 1.00 0.00 C ATOM 1300 OE1 GLU A 89 -10.287 -10.990 -0.327 1.00 0.00 O ATOM 1301 OE2 GLU A 89 -11.447 -12.016 -1.887 1.00 0.00 O ATOM 0 H GLU A 89 -10.822 -6.956 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.695 -8.870 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.187 -8.339 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.995 -8.914 -1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.559 -10.296 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.987 -10.774 -2.865 1.00 0.00 H new ATOM 1308 N ALA A 90 -11.079 -5.938 -0.711 1.00 0.00 N ATOM 1309 CA ALA A 90 -10.852 -4.922 0.309 1.00 0.00 C ATOM 1310 C ALA A 90 -11.882 -5.030 1.429 1.00 0.00 C ATOM 1311 O ALA A 90 -11.534 -4.997 2.609 1.00 0.00 O ATOM 1312 CB ALA A 90 -10.888 -3.534 -0.311 1.00 0.00 C ATOM 0 H ALA A 90 -11.587 -5.606 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.865 -5.089 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.717 -2.785 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.111 -3.455 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.862 -3.366 -0.770 1.00 0.00 H new ATOM 1318 N GLU A 91 -13.150 -5.159 1.051 1.00 0.00 N ATOM 1319 CA GLU A 91 -14.229 -5.270 2.025 1.00 0.00 C ATOM 1320 C GLU A 91 -14.274 -6.670 2.630 1.00 0.00 C ATOM 1321 O GLU A 91 -14.353 -7.666 1.911 1.00 0.00 O ATOM 1322 CB GLU A 91 -15.573 -4.941 1.371 1.00 0.00 C ATOM 1323 CG GLU A 91 -15.847 -3.451 1.260 1.00 0.00 C ATOM 1324 CD GLU A 91 -14.736 -2.704 0.548 1.00 0.00 C ATOM 1325 OE1 GLU A 91 -14.735 -2.693 -0.701 1.00 0.00 O ATOM 1326 OE2 GLU A 91 -13.868 -2.131 1.239 1.00 0.00 O ATOM 0 H GLU A 91 -13.455 -5.189 0.078 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.037 -4.554 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.600 -5.382 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -16.372 -5.407 1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.784 -3.297 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.978 -3.034 2.259 1.00 0.00 H new ATOM 1333 N SER A 92 -14.224 -6.737 3.957 1.00 0.00 N ATOM 1334 CA SER A 92 -14.255 -8.015 4.659 1.00 0.00 C ATOM 1335 C SER A 92 -15.674 -8.355 5.105 1.00 0.00 C ATOM 1336 O SER A 92 -16.291 -7.612 5.869 1.00 0.00 O ATOM 1337 CB SER A 92 -13.322 -7.977 5.871 1.00 0.00 C ATOM 1338 OG SER A 92 -11.968 -7.870 5.469 1.00 0.00 O ATOM 0 H SER A 92 -14.162 -5.922 4.567 1.00 0.00 H new ATOM 0 HA SER A 92 -13.914 -8.789 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.583 -7.132 6.509 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.458 -8.880 6.467 1.00 0.00 H new ATOM 0 HG SER A 92 -11.392 -7.846 6.262 1.00 0.00 H new ATOM 1344 N ILE A 93 -16.184 -9.483 4.623 1.00 0.00 N ATOM 1345 CA ILE A 93 -17.529 -9.924 4.972 1.00 0.00 C ATOM 1346 C ILE A 93 -17.660 -10.151 6.474 1.00 0.00 C ATOM 1347 O ILE A 93 -16.693 -10.514 7.145 1.00 0.00 O ATOM 1348 CB ILE A 93 -17.906 -11.221 4.233 1.00 0.00 C ATOM 1349 CG1 ILE A 93 -17.756 -11.035 2.722 1.00 0.00 C ATOM 1350 CG2 ILE A 93 -19.328 -11.635 4.583 1.00 0.00 C ATOM 1351 CD1 ILE A 93 -17.641 -12.337 1.961 1.00 0.00 C ATOM 0 H ILE A 93 -15.686 -10.108 3.990 1.00 0.00 H new ATOM 0 HA ILE A 93 -18.211 -9.131 4.666 1.00 0.00 H new ATOM 0 HB ILE A 93 -17.229 -12.013 4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -18.614 -10.478 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -16.872 -10.429 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -19.580 -12.553 4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -19.404 -11.803 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -20.020 -10.845 4.290 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -17.538 -12.128 0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -16.766 -12.886 2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -18.536 -12.936 2.128 1.00 0.00 H new ATOM 1363 N TYR A 94 -18.862 -9.937 6.997 1.00 0.00 N ATOM 1364 CA TYR A 94 -19.121 -10.118 8.420 1.00 0.00 C ATOM 1365 C TYR A 94 -18.420 -11.367 8.947 1.00 0.00 C ATOM 1366 O TYR A 94 -18.274 -12.358 8.232 1.00 0.00 O ATOM 1367 CB TYR A 94 -20.625 -10.217 8.679 1.00 0.00 C ATOM 1368 CG TYR A 94 -21.203 -11.580 8.374 1.00 0.00 C ATOM 1369 CD1 TYR A 94 -21.409 -11.992 7.063 1.00 0.00 C ATOM 1370 CD2 TYR A 94 -21.544 -12.456 9.397 1.00 0.00 C ATOM 1371 CE1 TYR A 94 -21.938 -13.237 6.780 1.00 0.00 C ATOM 1372 CE2 TYR A 94 -22.072 -13.703 9.124 1.00 0.00 C ATOM 1373 CZ TYR A 94 -22.267 -14.089 7.814 1.00 0.00 C ATOM 1374 OH TYR A 94 -22.793 -15.330 7.536 1.00 0.00 O ATOM 0 H TYR A 94 -19.673 -9.638 6.456 1.00 0.00 H new ATOM 0 HA TYR A 94 -18.725 -9.250 8.948 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -20.822 -9.973 9.723 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -21.139 -9.470 8.075 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -21.151 -11.328 6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -21.394 -12.157 10.424 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -22.093 -13.541 5.755 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -22.331 -14.372 9.932 1.00 0.00 H new ATOM 0 HH TYR A 94 -22.969 -15.806 8.374 1.00 0.00 H new ATOM 1384 N SER A 95 -17.989 -11.310 10.203 1.00 0.00 N ATOM 1385 CA SER A 95 -17.300 -12.435 10.826 1.00 0.00 C ATOM 1386 C SER A 95 -17.539 -12.451 12.332 1.00 0.00 C ATOM 1387 O SER A 95 -17.353 -11.441 13.013 1.00 0.00 O ATOM 1388 CB SER A 95 -15.799 -12.364 10.537 1.00 0.00 C ATOM 1389 OG SER A 95 -15.135 -13.526 11.002 1.00 0.00 O ATOM 0 H SER A 95 -18.104 -10.498 10.809 1.00 0.00 H new ATOM 0 HA SER A 95 -17.701 -13.355 10.402 1.00 0.00 H new ATOM 0 HB2 SER A 95 -15.637 -12.253 9.465 1.00 0.00 H new ATOM 0 HB3 SER A 95 -15.374 -11.482 11.017 1.00 0.00 H new ATOM 0 HG SER A 95 -14.178 -13.457 10.804 1.00 0.00 H new ATOM 1395 N LEU A 96 -17.953 -13.604 12.847 1.00 0.00 N ATOM 1396 CA LEU A 96 -18.218 -13.753 14.274 1.00 0.00 C ATOM 1397 C LEU A 96 -17.011 -14.346 14.993 1.00 0.00 C ATOM 1398 O LEU A 96 -16.502 -15.399 14.608 1.00 0.00 O ATOM 1399 CB LEU A 96 -19.444 -14.641 14.494 1.00 0.00 C ATOM 1400 CG LEU A 96 -20.799 -13.933 14.464 1.00 0.00 C ATOM 1401 CD1 LEU A 96 -21.900 -14.903 14.063 1.00 0.00 C ATOM 1402 CD2 LEU A 96 -21.104 -13.308 15.818 1.00 0.00 C ATOM 0 H LEU A 96 -18.112 -14.449 12.298 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.414 -12.764 14.688 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -19.446 -15.419 13.731 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.338 -15.140 15.457 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.755 -13.138 13.720 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -22.857 -14.381 14.047 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -21.689 -15.304 13.072 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.945 -15.721 14.783 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -22.072 -12.808 15.778 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -21.128 -14.086 16.581 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -20.330 -12.581 16.066 1.00 0.00 H new ATOM 1414 N SER A 97 -16.559 -13.665 16.040 1.00 0.00 N ATOM 1415 CA SER A 97 -15.410 -14.123 16.813 1.00 0.00 C ATOM 1416 C SER A 97 -15.827 -14.511 18.228 1.00 0.00 C ATOM 1417 O SER A 97 -16.800 -13.984 18.767 1.00 0.00 O ATOM 1418 CB SER A 97 -14.337 -13.035 16.866 1.00 0.00 C ATOM 1419 OG SER A 97 -13.498 -13.090 15.725 1.00 0.00 O ATOM 0 H SER A 97 -16.971 -12.793 16.373 1.00 0.00 H new ATOM 0 HA SER A 97 -15.000 -15.004 16.319 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.811 -12.055 16.926 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.737 -13.155 17.768 1.00 0.00 H new ATOM 0 HG SER A 97 -12.822 -12.383 15.782 1.00 0.00 H new ATOM 1425 N GLY A 98 -15.083 -15.437 18.825 1.00 0.00 N ATOM 1426 CA GLY A 98 -15.390 -15.881 20.172 1.00 0.00 C ATOM 1427 C GLY A 98 -16.332 -17.068 20.191 1.00 0.00 C ATOM 1428 O GLY A 98 -17.546 -16.923 20.340 1.00 0.00 O ATOM 0 H GLY A 98 -14.273 -15.888 18.400 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -14.465 -16.147 20.683 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.837 -15.058 20.730 1.00 0.00 H new ATOM 1432 N PRO A 99 -15.771 -18.276 20.036 1.00 0.00 N ATOM 1433 CA PRO A 99 -16.551 -19.517 20.031 1.00 0.00 C ATOM 1434 C PRO A 99 -17.120 -19.850 21.406 1.00 0.00 C ATOM 1435 O PRO A 99 -16.865 -19.143 22.381 1.00 0.00 O ATOM 1436 CB PRO A 99 -15.531 -20.576 19.604 1.00 0.00 C ATOM 1437 CG PRO A 99 -14.211 -20.015 20.007 1.00 0.00 C ATOM 1438 CD PRO A 99 -14.331 -18.524 19.854 1.00 0.00 C ATOM 0 HA PRO A 99 -17.418 -19.450 19.373 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -15.722 -21.530 20.095 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -15.573 -20.756 18.530 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -13.970 -20.284 21.036 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -13.412 -20.409 19.379 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -13.735 -17.995 20.598 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -13.987 -18.192 18.875 1.00 0.00 H new ATOM 1446 N SER A 100 -17.891 -20.930 21.477 1.00 0.00 N ATOM 1447 CA SER A 100 -18.499 -21.355 22.733 1.00 0.00 C ATOM 1448 C SER A 100 -17.473 -21.349 23.862 1.00 0.00 C ATOM 1449 O SER A 100 -16.447 -22.024 23.787 1.00 0.00 O ATOM 1450 CB SER A 100 -19.103 -22.752 22.585 1.00 0.00 C ATOM 1451 OG SER A 100 -18.106 -23.707 22.262 1.00 0.00 O ATOM 0 H SER A 100 -18.110 -21.527 20.680 1.00 0.00 H new ATOM 0 HA SER A 100 -19.292 -20.649 22.982 1.00 0.00 H new ATOM 0 HB2 SER A 100 -19.598 -23.038 23.513 1.00 0.00 H new ATOM 0 HB3 SER A 100 -19.866 -22.741 21.807 1.00 0.00 H new ATOM 0 HG SER A 100 -17.251 -23.432 22.653 1.00 0.00 H new ATOM 1457 N SER A 101 -17.759 -20.580 24.908 1.00 0.00 N ATOM 1458 CA SER A 101 -16.860 -20.482 26.053 1.00 0.00 C ATOM 1459 C SER A 101 -17.544 -20.974 27.324 1.00 0.00 C ATOM 1460 O SER A 101 -18.715 -20.683 27.565 1.00 0.00 O ATOM 1461 CB SER A 101 -16.391 -19.038 26.238 1.00 0.00 C ATOM 1462 OG SER A 101 -15.364 -18.955 27.210 1.00 0.00 O ATOM 0 H SER A 101 -18.605 -20.016 24.987 1.00 0.00 H new ATOM 0 HA SER A 101 -15.994 -21.115 25.859 1.00 0.00 H new ATOM 0 HB2 SER A 101 -16.029 -18.646 25.288 1.00 0.00 H new ATOM 0 HB3 SER A 101 -17.233 -18.415 26.540 1.00 0.00 H new ATOM 0 HG SER A 101 -15.081 -18.022 27.308 1.00 0.00 H new ATOM 1468 N GLY A 102 -16.804 -21.722 28.137 1.00 0.00 N ATOM 1469 CA GLY A 102 -17.355 -22.242 29.374 1.00 0.00 C ATOM 1470 C GLY A 102 -18.456 -23.257 29.137 1.00 0.00 C ATOM 1471 O GLY A 102 -19.574 -22.894 28.773 1.00 0.00 O ATOM 0 H GLY A 102 -15.832 -21.977 27.960 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.558 -22.704 29.957 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -17.747 -21.417 29.968 1.00 0.00 H new TER 1475 GLY A 102