USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 510 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 47 GLN : amide:sc= -4.54! C(o=-3.6!,f=-9.9!) USER MOD Set 1.2: A 53 SER OG : rot 134:sc= 0.98 USER MOD Set 2.1: A 16 TYR OH : rot -155:sc= 0.601 USER MOD Set 2.2: A 42 MET CE :methyl -160:sc= -0.582 (180deg=-1.77) USER MOD Set 3.1: A 27 SER OG : rot 159:sc= 0.0716 USER MOD Set 3.2: A 52 HIS : no HD1:sc= 0.0688 X(o=0.14,f=0.025) 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 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -162:sc= -1.24 (180deg=-1.62) USER MOD Single : A 11 THR OG1 : rot 170:sc= 0.838 USER MOD Single : A 14 LYS NZ :NH3+ -147:sc= -0.62 (180deg=-2.12!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.58 X(o=-2.6,f=-3.1!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 38 ASN : amide:sc= -4.47! C(o=-4.5!,f=-14!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.897 K(o=-0.9,f=-2.9) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.0833 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0138 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.42 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.581 -2.616 -20.251 1.00 0.00 N ATOM 2 CA GLY A 1 5.996 -1.597 -19.304 1.00 0.00 C ATOM 3 C GLY A 1 6.106 -2.131 -17.890 1.00 0.00 C ATOM 4 O GLY A 1 5.159 -2.042 -17.110 1.00 0.00 O ATOM 0 H1 GLY A 1 5.521 -2.201 -21.203 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.275 -3.390 -20.254 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.649 -2.987 -19.975 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.959 -1.190 -19.612 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.281 -0.774 -19.324 1.00 0.00 H new ATOM 8 N SER A 2 7.266 -2.690 -17.559 1.00 0.00 N ATOM 9 CA SER A 2 7.496 -3.245 -16.231 1.00 0.00 C ATOM 10 C SER A 2 6.967 -2.306 -15.150 1.00 0.00 C ATOM 11 O SER A 2 6.681 -1.138 -15.413 1.00 0.00 O ATOM 12 CB SER A 2 8.988 -3.503 -16.013 1.00 0.00 C ATOM 13 OG SER A 2 9.197 -4.454 -14.983 1.00 0.00 O ATOM 0 H SER A 2 8.061 -2.770 -18.193 1.00 0.00 H new ATOM 0 HA SER A 2 6.958 -4.190 -16.162 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.437 -3.861 -16.939 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.488 -2.569 -15.757 1.00 0.00 H new ATOM 0 HG SER A 2 10.158 -4.602 -14.865 1.00 0.00 H new ATOM 19 N SER A 3 6.839 -2.827 -13.934 1.00 0.00 N ATOM 20 CA SER A 3 6.342 -2.037 -12.813 1.00 0.00 C ATOM 21 C SER A 3 7.392 -1.034 -12.346 1.00 0.00 C ATOM 22 O SER A 3 8.589 -1.315 -12.372 1.00 0.00 O ATOM 23 CB SER A 3 5.943 -2.953 -11.654 1.00 0.00 C ATOM 24 OG SER A 3 7.049 -3.715 -11.203 1.00 0.00 O ATOM 0 H SER A 3 7.072 -3.792 -13.700 1.00 0.00 H new ATOM 0 HA SER A 3 5.464 -1.486 -13.150 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.550 -2.355 -10.832 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.143 -3.621 -11.973 1.00 0.00 H new ATOM 0 HG SER A 3 6.769 -4.291 -10.461 1.00 0.00 H new ATOM 30 N GLY A 4 6.933 0.139 -11.919 1.00 0.00 N ATOM 31 CA GLY A 4 7.845 1.167 -11.453 1.00 0.00 C ATOM 32 C GLY A 4 7.348 2.565 -11.761 1.00 0.00 C ATOM 33 O GLY A 4 6.699 3.199 -10.929 1.00 0.00 O ATOM 0 H GLY A 4 5.946 0.395 -11.888 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.985 1.063 -10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.820 1.021 -11.917 1.00 0.00 H new ATOM 37 N SER A 5 7.656 3.050 -12.960 1.00 0.00 N ATOM 38 CA SER A 5 7.241 4.385 -13.375 1.00 0.00 C ATOM 39 C SER A 5 5.778 4.633 -13.023 1.00 0.00 C ATOM 40 O SER A 5 5.424 5.688 -12.496 1.00 0.00 O ATOM 41 CB SER A 5 7.454 4.564 -14.879 1.00 0.00 C ATOM 42 OG SER A 5 6.874 3.495 -15.607 1.00 0.00 O ATOM 0 H SER A 5 8.192 2.538 -13.661 1.00 0.00 H new ATOM 0 HA SER A 5 7.853 5.112 -12.840 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.015 5.508 -15.202 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.521 4.618 -15.094 1.00 0.00 H new ATOM 0 HG SER A 5 7.022 3.634 -16.566 1.00 0.00 H new ATOM 48 N SER A 6 4.930 3.652 -13.319 1.00 0.00 N ATOM 49 CA SER A 6 3.504 3.764 -13.038 1.00 0.00 C ATOM 50 C SER A 6 3.210 3.436 -11.577 1.00 0.00 C ATOM 51 O SER A 6 3.063 2.272 -11.208 1.00 0.00 O ATOM 52 CB SER A 6 2.708 2.831 -13.952 1.00 0.00 C ATOM 53 OG SER A 6 1.329 3.160 -13.942 1.00 0.00 O ATOM 0 H SER A 6 5.206 2.771 -13.753 1.00 0.00 H new ATOM 0 HA SER A 6 3.201 4.794 -13.229 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.093 2.898 -14.969 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.841 1.799 -13.628 1.00 0.00 H new ATOM 0 HG SER A 6 0.843 2.550 -14.535 1.00 0.00 H new ATOM 59 N GLY A 7 3.127 4.473 -10.749 1.00 0.00 N ATOM 60 CA GLY A 7 2.851 4.275 -9.338 1.00 0.00 C ATOM 61 C GLY A 7 3.115 5.521 -8.516 1.00 0.00 C ATOM 62 O GLY A 7 3.847 6.413 -8.945 1.00 0.00 O ATOM 0 H GLY A 7 3.246 5.446 -11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.811 3.974 -9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.466 3.458 -8.962 1.00 0.00 H new ATOM 66 N SER A 8 2.517 5.584 -7.331 1.00 0.00 N ATOM 67 CA SER A 8 2.687 6.733 -6.448 1.00 0.00 C ATOM 68 C SER A 8 3.517 6.359 -5.224 1.00 0.00 C ATOM 69 O SER A 8 3.357 5.278 -4.656 1.00 0.00 O ATOM 70 CB SER A 8 1.323 7.271 -6.009 1.00 0.00 C ATOM 71 OG SER A 8 0.492 7.527 -7.128 1.00 0.00 O ATOM 0 H SER A 8 1.910 4.853 -6.960 1.00 0.00 H new ATOM 0 HA SER A 8 3.216 7.510 -7.000 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.839 6.550 -5.350 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.458 8.188 -5.435 1.00 0.00 H new ATOM 0 HG SER A 8 -0.374 7.868 -6.821 1.00 0.00 H new ATOM 77 N THR A 9 4.406 7.262 -4.822 1.00 0.00 N ATOM 78 CA THR A 9 5.263 7.029 -3.666 1.00 0.00 C ATOM 79 C THR A 9 4.707 7.714 -2.423 1.00 0.00 C ATOM 80 O THR A 9 4.405 8.906 -2.442 1.00 0.00 O ATOM 81 CB THR A 9 6.696 7.534 -3.919 1.00 0.00 C ATOM 82 OG1 THR A 9 7.059 7.314 -5.287 1.00 0.00 O ATOM 83 CG2 THR A 9 7.687 6.827 -3.007 1.00 0.00 C ATOM 0 H THR A 9 4.551 8.162 -5.280 1.00 0.00 H new ATOM 0 HA THR A 9 5.289 5.952 -3.503 1.00 0.00 H new ATOM 0 HB THR A 9 6.725 8.602 -3.703 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.971 7.639 -5.440 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.692 7.200 -3.204 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.425 7.020 -1.967 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.654 5.754 -3.196 1.00 0.00 H new ATOM 91 N MET A 10 4.576 6.951 -1.342 1.00 0.00 N ATOM 92 CA MET A 10 4.059 7.486 -0.088 1.00 0.00 C ATOM 93 C MET A 10 4.996 7.159 1.070 1.00 0.00 C ATOM 94 O MET A 10 5.621 6.099 1.097 1.00 0.00 O ATOM 95 CB MET A 10 2.664 6.923 0.194 1.00 0.00 C ATOM 96 CG MET A 10 1.673 7.160 -0.934 1.00 0.00 C ATOM 97 SD MET A 10 -0.036 6.897 -0.424 1.00 0.00 S ATOM 98 CE MET A 10 -0.409 8.474 0.339 1.00 0.00 C ATOM 0 H MET A 10 4.821 5.961 -1.310 1.00 0.00 H new ATOM 0 HA MET A 10 3.993 8.570 -0.183 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.744 5.851 0.377 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.277 7.374 1.107 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.785 8.180 -1.303 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.907 6.493 -1.764 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.288 8.372 0.975 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.440 8.796 0.942 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.606 9.215 -0.435 1.00 0.00 H new ATOM 108 N THR A 11 5.089 8.077 2.028 1.00 0.00 N ATOM 109 CA THR A 11 5.950 7.887 3.188 1.00 0.00 C ATOM 110 C THR A 11 5.129 7.646 4.449 1.00 0.00 C ATOM 111 O THR A 11 4.316 8.483 4.842 1.00 0.00 O ATOM 112 CB THR A 11 6.868 9.104 3.411 1.00 0.00 C ATOM 113 OG1 THR A 11 7.506 9.469 2.182 1.00 0.00 O ATOM 114 CG2 THR A 11 7.922 8.801 4.465 1.00 0.00 C ATOM 0 H THR A 11 4.578 8.960 2.023 1.00 0.00 H new ATOM 0 HA THR A 11 6.564 7.010 2.985 1.00 0.00 H new ATOM 0 HB THR A 11 6.255 9.934 3.761 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.958 10.332 2.292 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.558 9.675 4.605 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.433 8.553 5.407 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.531 7.958 4.139 1.00 0.00 H new ATOM 122 N VAL A 12 5.346 6.497 5.080 1.00 0.00 N ATOM 123 CA VAL A 12 4.627 6.146 6.299 1.00 0.00 C ATOM 124 C VAL A 12 4.705 7.270 7.326 1.00 0.00 C ATOM 125 O VAL A 12 5.789 7.761 7.643 1.00 0.00 O ATOM 126 CB VAL A 12 5.182 4.853 6.926 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.314 4.411 8.094 1.00 0.00 C ATOM 128 CG2 VAL A 12 5.283 3.754 5.879 1.00 0.00 C ATOM 0 H VAL A 12 6.014 5.793 4.767 1.00 0.00 H new ATOM 0 HA VAL A 12 3.586 5.986 6.017 1.00 0.00 H new ATOM 0 HB VAL A 12 6.184 5.054 7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.721 3.496 8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.299 5.193 8.853 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.299 4.226 7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.677 2.848 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.294 3.552 5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.950 4.074 5.079 1.00 0.00 H new ATOM 138 N ILE A 13 3.549 7.673 7.843 1.00 0.00 N ATOM 139 CA ILE A 13 3.487 8.738 8.835 1.00 0.00 C ATOM 140 C ILE A 13 3.462 8.171 10.250 1.00 0.00 C ATOM 141 O ILE A 13 3.944 8.800 11.193 1.00 0.00 O ATOM 142 CB ILE A 13 2.247 9.628 8.629 1.00 0.00 C ATOM 143 CG1 ILE A 13 0.979 8.772 8.587 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.385 10.442 7.351 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.296 9.583 8.530 1.00 0.00 C ATOM 0 H ILE A 13 2.643 7.278 7.591 1.00 0.00 H new ATOM 0 HA ILE A 13 4.384 9.343 8.704 1.00 0.00 H new ATOM 0 HB ILE A 13 2.170 10.318 9.469 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.022 8.116 7.718 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.953 8.131 9.469 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.501 11.066 7.220 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.269 11.076 7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.484 9.769 6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.154 8.911 8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.362 10.220 9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.293 10.204 7.634 1.00 0.00 H new ATOM 157 N LYS A 14 2.898 6.976 10.393 1.00 0.00 N ATOM 158 CA LYS A 14 2.812 6.320 11.692 1.00 0.00 C ATOM 159 C LYS A 14 3.086 4.825 11.566 1.00 0.00 C ATOM 160 O LYS A 14 3.012 4.261 10.474 1.00 0.00 O ATOM 161 CB LYS A 14 1.430 6.545 12.310 1.00 0.00 C ATOM 162 CG LYS A 14 0.972 7.993 12.264 1.00 0.00 C ATOM 163 CD LYS A 14 -0.541 8.097 12.178 1.00 0.00 C ATOM 164 CE LYS A 14 -1.040 9.428 12.718 1.00 0.00 C ATOM 165 NZ LYS A 14 -0.597 10.571 11.873 1.00 0.00 N ATOM 0 H LYS A 14 2.493 6.442 9.624 1.00 0.00 H new ATOM 0 HA LYS A 14 3.570 6.757 12.342 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.702 5.925 11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.446 6.210 13.347 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.323 8.515 13.154 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.421 8.490 11.404 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.856 7.983 11.141 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.995 7.282 12.741 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.129 9.414 12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.676 9.566 13.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.440 11.406 12.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.289 10.322 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.330 10.785 11.167 1.00 0.00 H new ATOM 179 N ASP A 15 3.400 4.189 12.689 1.00 0.00 N ATOM 180 CA ASP A 15 3.683 2.758 12.704 1.00 0.00 C ATOM 181 C ASP A 15 2.422 1.952 12.406 1.00 0.00 C ATOM 182 O ASP A 15 1.307 2.461 12.520 1.00 0.00 O ATOM 183 CB ASP A 15 4.259 2.345 14.059 1.00 0.00 C ATOM 184 CG ASP A 15 5.157 1.127 13.959 1.00 0.00 C ATOM 185 OD1 ASP A 15 6.374 1.303 13.740 1.00 0.00 O ATOM 186 OD2 ASP A 15 4.643 -0.002 14.100 1.00 0.00 O ATOM 0 H ASP A 15 3.465 4.641 13.601 1.00 0.00 H new ATOM 0 HA ASP A 15 4.418 2.549 11.927 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.825 3.177 14.479 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.442 2.135 14.749 1.00 0.00 H new ATOM 191 N TYR A 16 2.608 0.694 12.023 1.00 0.00 N ATOM 192 CA TYR A 16 1.486 -0.182 11.706 1.00 0.00 C ATOM 193 C TYR A 16 1.921 -1.644 11.697 1.00 0.00 C ATOM 194 O TYR A 16 2.959 -1.991 11.134 1.00 0.00 O ATOM 195 CB TYR A 16 0.889 0.192 10.348 1.00 0.00 C ATOM 196 CG TYR A 16 -0.200 -0.750 9.885 1.00 0.00 C ATOM 197 CD1 TYR A 16 -1.503 -0.619 10.348 1.00 0.00 C ATOM 198 CD2 TYR A 16 0.076 -1.771 8.983 1.00 0.00 C ATOM 199 CE1 TYR A 16 -2.500 -1.478 9.928 1.00 0.00 C ATOM 200 CE2 TYR A 16 -0.915 -2.634 8.557 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.201 -2.484 9.032 1.00 0.00 C ATOM 202 OH TYR A 16 -3.192 -3.341 8.610 1.00 0.00 O ATOM 0 H TYR A 16 3.525 0.258 11.924 1.00 0.00 H new ATOM 0 HA TYR A 16 0.728 -0.053 12.478 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.484 1.202 10.404 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.684 0.209 9.603 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.741 0.168 11.048 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.082 -1.892 8.609 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.508 -1.363 10.299 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.684 -3.422 7.856 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.792 -4.189 8.326 1.00 0.00 H new ATOM 212 N TYR A 17 1.119 -2.496 12.325 1.00 0.00 N ATOM 213 CA TYR A 17 1.421 -3.921 12.392 1.00 0.00 C ATOM 214 C TYR A 17 0.430 -4.728 11.558 1.00 0.00 C ATOM 215 O TYR A 17 -0.753 -4.808 11.886 1.00 0.00 O ATOM 216 CB TYR A 17 1.392 -4.402 13.844 1.00 0.00 C ATOM 217 CG TYR A 17 0.445 -3.618 14.723 1.00 0.00 C ATOM 218 CD1 TYR A 17 0.771 -2.341 15.164 1.00 0.00 C ATOM 219 CD2 TYR A 17 -0.777 -4.153 15.112 1.00 0.00 C ATOM 220 CE1 TYR A 17 -0.091 -1.621 15.969 1.00 0.00 C ATOM 221 CE2 TYR A 17 -1.646 -3.439 15.915 1.00 0.00 C ATOM 222 CZ TYR A 17 -1.298 -2.174 16.341 1.00 0.00 C ATOM 223 OH TYR A 17 -2.160 -1.460 17.141 1.00 0.00 O ATOM 0 H TYR A 17 0.255 -2.225 12.795 1.00 0.00 H new ATOM 0 HA TYR A 17 2.420 -4.074 11.985 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.106 -5.454 13.864 1.00 0.00 H new ATOM 0 HB3 TYR A 17 2.398 -4.337 14.259 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.715 -1.904 14.872 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.052 -5.144 14.781 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.179 -0.631 16.305 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.593 -3.869 16.207 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.966 -1.992 17.310 1.00 0.00 H new ATOM 233 N ALA A 18 0.924 -5.324 10.478 1.00 0.00 N ATOM 234 CA ALA A 18 0.085 -6.127 9.598 1.00 0.00 C ATOM 235 C ALA A 18 -0.859 -7.017 10.400 1.00 0.00 C ATOM 236 O ALA A 18 -0.428 -7.758 11.285 1.00 0.00 O ATOM 237 CB ALA A 18 0.947 -6.970 8.670 1.00 0.00 C ATOM 0 H ALA A 18 1.901 -5.266 10.192 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.520 -5.449 8.997 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.306 -7.565 8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.575 -6.317 8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.578 -7.633 9.262 1.00 0.00 H new ATOM 243 N LEU A 19 -2.147 -6.940 10.086 1.00 0.00 N ATOM 244 CA LEU A 19 -3.153 -7.739 10.778 1.00 0.00 C ATOM 245 C LEU A 19 -3.441 -9.029 10.018 1.00 0.00 C ATOM 246 O LEU A 19 -3.702 -10.072 10.619 1.00 0.00 O ATOM 247 CB LEU A 19 -4.443 -6.934 10.949 1.00 0.00 C ATOM 248 CG LEU A 19 -4.392 -5.791 11.963 1.00 0.00 C ATOM 249 CD1 LEU A 19 -5.516 -4.800 11.707 1.00 0.00 C ATOM 250 CD2 LEU A 19 -4.470 -6.334 13.383 1.00 0.00 C ATOM 0 H LEU A 19 -2.520 -6.332 9.357 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.762 -7.999 11.762 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.721 -6.521 9.979 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.238 -7.619 11.243 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.442 -5.269 11.846 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.464 -3.994 12.438 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.415 -4.387 10.703 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.476 -5.308 11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.432 -5.507 14.092 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.404 -6.881 13.513 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.629 -7.004 13.563 1.00 0.00 H new ATOM 262 N LYS A 20 -3.390 -8.953 8.692 1.00 0.00 N ATOM 263 CA LYS A 20 -3.643 -10.115 7.848 1.00 0.00 C ATOM 264 C LYS A 20 -2.334 -10.769 7.418 1.00 0.00 C ATOM 265 O LYS A 20 -1.253 -10.328 7.807 1.00 0.00 O ATOM 266 CB LYS A 20 -4.452 -9.708 6.615 1.00 0.00 C ATOM 267 CG LYS A 20 -5.910 -9.406 6.916 1.00 0.00 C ATOM 268 CD LYS A 20 -6.752 -10.671 6.923 1.00 0.00 C ATOM 269 CE LYS A 20 -6.949 -11.216 5.518 1.00 0.00 C ATOM 270 NZ LYS A 20 -8.039 -12.230 5.464 1.00 0.00 N ATOM 0 H LYS A 20 -3.176 -8.098 8.179 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.216 -10.838 8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.993 -8.828 6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.400 -10.508 5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.988 -8.911 7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.300 -8.712 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.270 -11.427 7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.723 -10.461 7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.182 -10.395 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.019 -11.664 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.142 -12.577 4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.805 -13.025 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.932 -11.796 5.773 1.00 0.00 H new ATOM 284 N GLU A 21 -2.440 -11.821 6.612 1.00 0.00 N ATOM 285 CA GLU A 21 -1.263 -12.534 6.129 1.00 0.00 C ATOM 286 C GLU A 21 -0.620 -11.793 4.960 1.00 0.00 C ATOM 287 O GLU A 21 0.601 -11.794 4.807 1.00 0.00 O ATOM 288 CB GLU A 21 -1.640 -13.954 5.701 1.00 0.00 C ATOM 289 CG GLU A 21 -2.286 -14.771 6.807 1.00 0.00 C ATOM 290 CD GLU A 21 -1.267 -15.480 7.679 1.00 0.00 C ATOM 291 OE1 GLU A 21 -0.867 -16.609 7.327 1.00 0.00 O ATOM 292 OE2 GLU A 21 -0.870 -14.904 8.714 1.00 0.00 O ATOM 0 H GLU A 21 -3.328 -12.198 6.280 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.542 -12.587 6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.324 -13.900 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.744 -14.470 5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.897 -14.116 7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.956 -15.508 6.365 1.00 0.00 H new ATOM 299 N ASN A 22 -1.451 -11.161 4.138 1.00 0.00 N ATOM 300 CA ASN A 22 -0.965 -10.417 2.982 1.00 0.00 C ATOM 301 C ASN A 22 -0.334 -9.096 3.412 1.00 0.00 C ATOM 302 O ASN A 22 0.713 -8.702 2.899 1.00 0.00 O ATOM 303 CB ASN A 22 -2.108 -10.154 2.000 1.00 0.00 C ATOM 304 CG ASN A 22 -1.628 -10.057 0.565 1.00 0.00 C ATOM 305 OD1 ASN A 22 -0.540 -10.525 0.230 1.00 0.00 O ATOM 306 ND2 ASN A 22 -2.439 -9.446 -0.291 1.00 0.00 N ATOM 0 H ASN A 22 -2.465 -11.149 4.251 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.203 -11.020 2.488 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.844 -10.954 2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.613 -9.228 2.274 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.169 -9.350 -1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.332 -9.073 0.030 1.00 0.00 H new ATOM 313 N GLU A 23 -0.979 -8.418 4.356 1.00 0.00 N ATOM 314 CA GLU A 23 -0.481 -7.142 4.854 1.00 0.00 C ATOM 315 C GLU A 23 0.913 -7.299 5.456 1.00 0.00 C ATOM 316 O GLU A 23 1.262 -8.361 5.971 1.00 0.00 O ATOM 317 CB GLU A 23 -1.438 -6.568 5.901 1.00 0.00 C ATOM 318 CG GLU A 23 -2.818 -6.246 5.352 1.00 0.00 C ATOM 319 CD GLU A 23 -3.850 -6.051 6.446 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.451 -5.911 7.620 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.057 -6.038 6.126 1.00 0.00 O ATOM 0 H GLU A 23 -1.847 -8.731 4.791 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.419 -6.453 4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.539 -7.281 6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.002 -5.661 6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.762 -5.342 4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.140 -7.052 4.693 1.00 0.00 H new ATOM 328 N ILE A 24 1.705 -6.234 5.385 1.00 0.00 N ATOM 329 CA ILE A 24 3.059 -6.253 5.923 1.00 0.00 C ATOM 330 C ILE A 24 3.238 -5.188 7.000 1.00 0.00 C ATOM 331 O ILE A 24 2.475 -4.224 7.067 1.00 0.00 O ATOM 332 CB ILE A 24 4.107 -6.030 4.817 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.975 -4.621 4.235 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.954 -7.076 3.723 1.00 0.00 C ATOM 335 CD1 ILE A 24 5.123 -4.230 3.331 1.00 0.00 C ATOM 0 H ILE A 24 1.432 -5.348 4.960 1.00 0.00 H new ATOM 0 HA ILE A 24 3.210 -7.239 6.362 1.00 0.00 H new ATOM 0 HB ILE A 24 5.101 -6.131 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.043 -4.554 3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.907 -3.904 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.702 -6.905 2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.093 -8.070 4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.958 -7.004 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.962 -3.220 2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.056 -4.264 3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.179 -4.924 2.493 1.00 0.00 H new ATOM 347 N CYS A 25 4.252 -5.368 7.839 1.00 0.00 N ATOM 348 CA CYS A 25 4.533 -4.422 8.913 1.00 0.00 C ATOM 349 C CYS A 25 5.349 -3.241 8.397 1.00 0.00 C ATOM 350 O CYS A 25 6.273 -3.411 7.602 1.00 0.00 O ATOM 351 CB CYS A 25 5.283 -5.118 10.050 1.00 0.00 C ATOM 352 SG CYS A 25 4.509 -6.652 10.614 1.00 0.00 S ATOM 0 H CYS A 25 4.893 -6.160 7.796 1.00 0.00 H new ATOM 0 HA CYS A 25 3.582 -4.046 9.291 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.299 -5.336 9.721 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.361 -4.432 10.893 1.00 0.00 H new ATOM 0 HG CYS A 25 5.217 -7.168 11.575 1.00 0.00 H new ATOM 358 N VAL A 26 5.000 -2.043 8.855 1.00 0.00 N ATOM 359 CA VAL A 26 5.700 -0.833 8.440 1.00 0.00 C ATOM 360 C VAL A 26 6.045 0.041 9.640 1.00 0.00 C ATOM 361 O VAL A 26 5.446 -0.088 10.708 1.00 0.00 O ATOM 362 CB VAL A 26 4.858 -0.011 7.446 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.786 -0.714 6.099 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.465 0.235 8.004 1.00 0.00 C ATOM 0 H VAL A 26 4.237 -1.884 9.513 1.00 0.00 H new ATOM 0 HA VAL A 26 6.620 -1.152 7.950 1.00 0.00 H new ATOM 0 HB VAL A 26 5.341 0.955 7.299 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.187 -0.119 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.792 -0.833 5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.327 -1.695 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.884 0.817 7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.970 -0.720 8.182 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.541 0.784 8.942 1.00 0.00 H new ATOM 374 N SER A 27 7.015 0.932 9.457 1.00 0.00 N ATOM 375 CA SER A 27 7.443 1.826 10.527 1.00 0.00 C ATOM 376 C SER A 27 7.453 3.276 10.051 1.00 0.00 C ATOM 377 O SER A 27 7.821 3.563 8.912 1.00 0.00 O ATOM 378 CB SER A 27 8.834 1.431 11.025 1.00 0.00 C ATOM 379 OG SER A 27 8.778 0.259 11.819 1.00 0.00 O ATOM 0 H SER A 27 7.519 1.054 8.579 1.00 0.00 H new ATOM 0 HA SER A 27 6.732 1.736 11.349 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.495 1.266 10.174 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.261 2.248 11.607 1.00 0.00 H new ATOM 0 HG SER A 27 9.663 -0.162 11.844 1.00 0.00 H new ATOM 385 N GLN A 28 7.046 4.184 10.932 1.00 0.00 N ATOM 386 CA GLN A 28 7.008 5.604 10.602 1.00 0.00 C ATOM 387 C GLN A 28 8.314 6.047 9.951 1.00 0.00 C ATOM 388 O GLN A 28 9.357 6.098 10.601 1.00 0.00 O ATOM 389 CB GLN A 28 6.743 6.434 11.859 1.00 0.00 C ATOM 390 CG GLN A 28 7.052 7.913 11.688 1.00 0.00 C ATOM 391 CD GLN A 28 7.102 8.655 13.008 1.00 0.00 C ATOM 392 OE1 GLN A 28 6.652 8.149 14.036 1.00 0.00 O ATOM 393 NE2 GLN A 28 7.653 9.863 12.988 1.00 0.00 N ATOM 0 H GLN A 28 6.738 3.962 11.879 1.00 0.00 H new ATOM 0 HA GLN A 28 6.197 5.765 9.892 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.697 6.321 12.145 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.343 6.038 12.679 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.008 8.024 11.177 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.295 8.367 11.049 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.014 10.245 12.114 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.716 10.409 13.847 1.00 0.00 H new ATOM 402 N GLY A 29 8.248 6.367 8.662 1.00 0.00 N ATOM 403 CA GLY A 29 9.432 6.801 7.944 1.00 0.00 C ATOM 404 C GLY A 29 9.640 6.037 6.652 1.00 0.00 C ATOM 405 O GLY A 29 10.086 6.603 5.654 1.00 0.00 O ATOM 0 H GLY A 29 7.396 6.333 8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.350 7.865 7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.307 6.674 8.582 1.00 0.00 H new ATOM 409 N GLU A 30 9.317 4.748 6.670 1.00 0.00 N ATOM 410 CA GLU A 30 9.473 3.906 5.490 1.00 0.00 C ATOM 411 C GLU A 30 8.844 4.563 4.265 1.00 0.00 C ATOM 412 O GLU A 30 7.987 5.438 4.387 1.00 0.00 O ATOM 413 CB GLU A 30 8.839 2.533 5.728 1.00 0.00 C ATOM 414 CG GLU A 30 9.676 1.621 6.610 1.00 0.00 C ATOM 415 CD GLU A 30 9.447 0.152 6.313 1.00 0.00 C ATOM 416 OE1 GLU A 30 10.140 -0.389 5.426 1.00 0.00 O ATOM 417 OE2 GLU A 30 8.574 -0.457 6.967 1.00 0.00 O ATOM 0 H GLU A 30 8.946 4.264 7.488 1.00 0.00 H new ATOM 0 HA GLU A 30 10.540 3.779 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.859 2.669 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.676 2.046 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.731 1.856 6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.441 1.817 7.656 1.00 0.00 H new ATOM 424 N VAL A 31 9.276 4.134 3.083 1.00 0.00 N ATOM 425 CA VAL A 31 8.756 4.680 1.835 1.00 0.00 C ATOM 426 C VAL A 31 8.382 3.567 0.863 1.00 0.00 C ATOM 427 O VAL A 31 9.251 2.908 0.292 1.00 0.00 O ATOM 428 CB VAL A 31 9.779 5.613 1.161 1.00 0.00 C ATOM 429 CG1 VAL A 31 9.191 6.229 -0.100 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.233 6.694 2.130 1.00 0.00 C ATOM 0 H VAL A 31 9.985 3.410 2.964 1.00 0.00 H new ATOM 0 HA VAL A 31 7.864 5.254 2.087 1.00 0.00 H new ATOM 0 HB VAL A 31 10.650 5.023 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.928 6.885 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.920 5.438 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.303 6.806 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.956 7.344 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.372 7.283 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.697 6.231 3.001 1.00 0.00 H new ATOM 440 N VAL A 32 7.081 3.363 0.677 1.00 0.00 N ATOM 441 CA VAL A 32 6.591 2.330 -0.228 1.00 0.00 C ATOM 442 C VAL A 32 5.964 2.945 -1.474 1.00 0.00 C ATOM 443 O VAL A 32 5.963 4.164 -1.644 1.00 0.00 O ATOM 444 CB VAL A 32 5.553 1.425 0.463 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.174 0.713 1.654 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.339 2.237 0.889 1.00 0.00 C ATOM 0 H VAL A 32 6.348 3.899 1.141 1.00 0.00 H new ATOM 0 HA VAL A 32 7.452 1.727 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 32 5.224 0.669 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.426 0.079 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.009 0.099 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.533 1.450 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.616 1.582 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.649 3.016 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.882 2.695 0.012 1.00 0.00 H new ATOM 456 N GLN A 33 5.431 2.092 -2.344 1.00 0.00 N ATOM 457 CA GLN A 33 4.801 2.552 -3.575 1.00 0.00 C ATOM 458 C GLN A 33 3.424 1.919 -3.752 1.00 0.00 C ATOM 459 O GLN A 33 3.301 0.700 -3.871 1.00 0.00 O ATOM 460 CB GLN A 33 5.685 2.222 -4.779 1.00 0.00 C ATOM 461 CG GLN A 33 6.709 3.300 -5.096 1.00 0.00 C ATOM 462 CD GLN A 33 7.624 2.917 -6.242 1.00 0.00 C ATOM 463 OE1 GLN A 33 8.250 1.857 -6.224 1.00 0.00 O ATOM 464 NE2 GLN A 33 7.708 3.780 -7.247 1.00 0.00 N ATOM 0 H GLN A 33 5.423 1.080 -2.219 1.00 0.00 H new ATOM 0 HA GLN A 33 4.678 3.633 -3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.205 1.283 -4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.052 2.066 -5.652 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.191 4.226 -5.344 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.309 3.498 -4.208 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.171 4.647 -7.221 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.309 3.576 -8.045 1.00 0.00 H new ATOM 473 N VAL A 34 2.391 2.756 -3.767 1.00 0.00 N ATOM 474 CA VAL A 34 1.023 2.278 -3.929 1.00 0.00 C ATOM 475 C VAL A 34 0.857 1.522 -5.242 1.00 0.00 C ATOM 476 O VAL A 34 1.450 1.884 -6.259 1.00 0.00 O ATOM 477 CB VAL A 34 0.014 3.442 -3.889 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.396 2.935 -4.148 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.092 4.168 -2.554 1.00 0.00 C ATOM 0 H VAL A 34 2.476 3.768 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 34 0.823 1.603 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 34 0.270 4.150 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.095 3.771 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.439 2.464 -5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.667 2.206 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.627 4.987 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.138 3.472 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.097 4.566 -2.414 1.00 0.00 H new ATOM 489 N LEU A 35 0.048 0.469 -5.213 1.00 0.00 N ATOM 490 CA LEU A 35 -0.197 -0.341 -6.402 1.00 0.00 C ATOM 491 C LEU A 35 -1.682 -0.360 -6.750 1.00 0.00 C ATOM 492 O LEU A 35 -2.056 -0.292 -7.921 1.00 0.00 O ATOM 493 CB LEU A 35 0.306 -1.769 -6.184 1.00 0.00 C ATOM 494 CG LEU A 35 1.769 -1.908 -5.760 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.164 -3.374 -5.680 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.677 -1.161 -6.727 1.00 0.00 C ATOM 0 H LEU A 35 -0.450 0.156 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 35 0.347 0.105 -7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.318 -2.241 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.162 -2.329 -7.108 1.00 0.00 H new ATOM 0 HG LEU A 35 1.884 -1.467 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.208 -3.454 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.534 -3.881 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.033 -3.840 -6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.714 -1.270 -6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.558 -1.573 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.410 -0.104 -6.735 1.00 0.00 H new ATOM 508 N ALA A 36 -2.524 -0.451 -5.726 1.00 0.00 N ATOM 509 CA ALA A 36 -3.968 -0.475 -5.924 1.00 0.00 C ATOM 510 C ALA A 36 -4.705 -0.448 -4.590 1.00 0.00 C ATOM 511 O ALA A 36 -4.086 -0.369 -3.528 1.00 0.00 O ATOM 512 CB ALA A 36 -4.370 -1.703 -6.727 1.00 0.00 C ATOM 0 H ALA A 36 -2.231 -0.509 -4.751 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.249 0.418 -6.482 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.451 -1.708 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.878 -1.679 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.070 -2.603 -6.190 1.00 0.00 H new ATOM 518 N VAL A 37 -6.031 -0.515 -4.650 1.00 0.00 N ATOM 519 CA VAL A 37 -6.853 -0.498 -3.446 1.00 0.00 C ATOM 520 C VAL A 37 -7.852 -1.650 -3.447 1.00 0.00 C ATOM 521 O VAL A 37 -8.488 -1.933 -4.462 1.00 0.00 O ATOM 522 CB VAL A 37 -7.619 0.831 -3.307 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.578 0.774 -2.128 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.647 1.992 -3.159 1.00 0.00 C ATOM 0 H VAL A 37 -6.559 -0.582 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.176 -0.608 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.204 0.990 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.110 1.722 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.295 -0.033 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.017 0.592 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.205 2.923 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.034 1.842 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.005 2.043 -4.038 1.00 0.00 H new ATOM 534 N ASN A 38 -7.986 -2.311 -2.302 1.00 0.00 N ATOM 535 CA ASN A 38 -8.909 -3.433 -2.170 1.00 0.00 C ATOM 536 C ASN A 38 -10.244 -2.974 -1.592 1.00 0.00 C ATOM 537 O ASN A 38 -10.386 -1.828 -1.167 1.00 0.00 O ATOM 538 CB ASN A 38 -8.301 -4.518 -1.280 1.00 0.00 C ATOM 539 CG ASN A 38 -8.108 -4.052 0.151 1.00 0.00 C ATOM 540 OD1 ASN A 38 -8.628 -3.010 0.551 1.00 0.00 O ATOM 541 ND2 ASN A 38 -7.358 -4.824 0.928 1.00 0.00 N ATOM 0 H ASN A 38 -7.467 -2.089 -1.452 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.086 -3.845 -3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.947 -5.396 -1.289 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.340 -4.825 -1.692 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.193 -4.562 1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.947 -5.679 0.553 1.00 0.00 H new ATOM 548 N GLN A 39 -11.219 -3.878 -1.579 1.00 0.00 N ATOM 549 CA GLN A 39 -12.543 -3.565 -1.053 1.00 0.00 C ATOM 550 C GLN A 39 -12.475 -3.245 0.437 1.00 0.00 C ATOM 551 O GLN A 39 -13.441 -2.755 1.020 1.00 0.00 O ATOM 552 CB GLN A 39 -13.499 -4.735 -1.292 1.00 0.00 C ATOM 553 CG GLN A 39 -14.958 -4.387 -1.048 1.00 0.00 C ATOM 554 CD GLN A 39 -15.903 -5.482 -1.504 1.00 0.00 C ATOM 555 OE1 GLN A 39 -15.472 -6.570 -1.887 1.00 0.00 O ATOM 556 NE2 GLN A 39 -17.200 -5.199 -1.465 1.00 0.00 N ATOM 0 H GLN A 39 -11.117 -4.832 -1.926 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.917 -2.686 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.384 -5.084 -2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.217 -5.562 -0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.110 -4.200 0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.200 -3.462 -1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -17.513 -4.284 -1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -17.883 -5.897 -1.760 1.00 0.00 H new ATOM 565 N GLN A 40 -11.327 -3.526 1.046 1.00 0.00 N ATOM 566 CA GLN A 40 -11.135 -3.269 2.468 1.00 0.00 C ATOM 567 C GLN A 40 -10.608 -1.856 2.699 1.00 0.00 C ATOM 568 O GLN A 40 -10.127 -1.532 3.784 1.00 0.00 O ATOM 569 CB GLN A 40 -10.166 -4.290 3.066 1.00 0.00 C ATOM 570 CG GLN A 40 -10.847 -5.556 3.563 1.00 0.00 C ATOM 571 CD GLN A 40 -9.865 -6.678 3.835 1.00 0.00 C ATOM 572 OE1 GLN A 40 -9.050 -6.596 4.754 1.00 0.00 O ATOM 573 NE2 GLN A 40 -9.939 -7.737 3.036 1.00 0.00 N ATOM 0 H GLN A 40 -10.517 -3.931 0.577 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.102 -3.363 2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.424 -4.558 2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.629 -3.827 3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.399 -5.333 4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.575 -5.887 2.823 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.630 -7.763 2.286 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.305 -8.524 3.172 1.00 0.00 H new ATOM 582 N ASN A 41 -10.704 -1.019 1.671 1.00 0.00 N ATOM 583 CA ASN A 41 -10.236 0.360 1.762 1.00 0.00 C ATOM 584 C ASN A 41 -8.744 0.409 2.074 1.00 0.00 C ATOM 585 O ASN A 41 -8.269 1.325 2.744 1.00 0.00 O ATOM 586 CB ASN A 41 -11.018 1.115 2.839 1.00 0.00 C ATOM 587 CG ASN A 41 -10.705 2.599 2.847 1.00 0.00 C ATOM 588 OD1 ASN A 41 -10.014 3.104 1.962 1.00 0.00 O ATOM 589 ND2 ASN A 41 -11.214 3.306 3.849 1.00 0.00 N ATOM 0 H ASN A 41 -11.101 -1.271 0.766 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.403 0.839 0.797 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.086 0.973 2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.786 0.692 3.816 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.038 4.309 3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.781 2.846 4.561 1.00 0.00 H new ATOM 596 N MET A 42 -8.010 -0.584 1.582 1.00 0.00 N ATOM 597 CA MET A 42 -6.570 -0.654 1.806 1.00 0.00 C ATOM 598 C MET A 42 -5.805 -0.194 0.570 1.00 0.00 C ATOM 599 O MET A 42 -6.403 0.147 -0.451 1.00 0.00 O ATOM 600 CB MET A 42 -6.158 -2.080 2.175 1.00 0.00 C ATOM 601 CG MET A 42 -6.756 -2.566 3.485 1.00 0.00 C ATOM 602 SD MET A 42 -5.991 -1.797 4.925 1.00 0.00 S ATOM 603 CE MET A 42 -4.559 -2.849 5.150 1.00 0.00 C ATOM 0 H MET A 42 -8.388 -1.351 1.026 1.00 0.00 H new ATOM 0 HA MET A 42 -6.323 0.012 2.633 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.460 -2.755 1.375 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.071 -2.130 2.241 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.826 -2.357 3.491 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.643 -3.648 3.552 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.187 -2.744 6.169 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.839 -3.887 4.971 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.779 -2.557 4.447 1.00 0.00 H new ATOM 613 N CYS A 43 -4.480 -0.186 0.668 1.00 0.00 N ATOM 614 CA CYS A 43 -3.633 0.233 -0.443 1.00 0.00 C ATOM 615 C CYS A 43 -2.458 -0.723 -0.621 1.00 0.00 C ATOM 616 O CYS A 43 -1.541 -0.757 0.201 1.00 0.00 O ATOM 617 CB CYS A 43 -3.119 1.655 -0.211 1.00 0.00 C ATOM 618 SG CYS A 43 -4.423 2.903 -0.110 1.00 0.00 S ATOM 0 H CYS A 43 -3.969 -0.465 1.506 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.233 0.215 -1.353 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.540 1.675 0.712 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.438 1.921 -1.020 1.00 0.00 H new ATOM 0 HG CYS A 43 -3.890 4.072 0.089 1.00 0.00 H new ATOM 624 N LEU A 44 -2.491 -1.499 -1.699 1.00 0.00 N ATOM 625 CA LEU A 44 -1.430 -2.457 -1.985 1.00 0.00 C ATOM 626 C LEU A 44 -0.122 -1.741 -2.306 1.00 0.00 C ATOM 627 O LEU A 44 0.088 -1.283 -3.430 1.00 0.00 O ATOM 628 CB LEU A 44 -1.831 -3.359 -3.153 1.00 0.00 C ATOM 629 CG LEU A 44 -0.814 -4.427 -3.557 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.504 -5.341 -2.383 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.327 -5.232 -4.742 1.00 0.00 C ATOM 0 H LEU A 44 -3.242 -1.483 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.279 -3.070 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.767 -3.856 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.030 -2.729 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 44 0.108 -3.928 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.221 -6.094 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.092 -4.753 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.419 -5.832 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.590 -5.987 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.264 -5.720 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.495 -4.566 -5.589 1.00 0.00 H new ATOM 643 N VAL A 45 0.757 -1.650 -1.313 1.00 0.00 N ATOM 644 CA VAL A 45 2.046 -0.992 -1.491 1.00 0.00 C ATOM 645 C VAL A 45 3.179 -2.011 -1.549 1.00 0.00 C ATOM 646 O VAL A 45 3.102 -3.076 -0.934 1.00 0.00 O ATOM 647 CB VAL A 45 2.328 0.008 -0.354 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.231 1.060 -0.285 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.464 -0.720 0.974 1.00 0.00 C ATOM 0 H VAL A 45 0.600 -2.024 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 45 1.998 -0.451 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 45 3.271 0.513 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.447 1.758 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.187 1.602 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.273 0.575 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.663 0.002 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.539 -1.253 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.288 -1.431 0.916 1.00 0.00 H new ATOM 659 N TYR A 46 4.229 -1.678 -2.290 1.00 0.00 N ATOM 660 CA TYR A 46 5.378 -2.565 -2.430 1.00 0.00 C ATOM 661 C TYR A 46 6.508 -2.144 -1.495 1.00 0.00 C ATOM 662 O TYR A 46 7.132 -1.101 -1.689 1.00 0.00 O ATOM 663 CB TYR A 46 5.873 -2.568 -3.877 1.00 0.00 C ATOM 664 CG TYR A 46 7.076 -3.456 -4.104 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.352 -3.035 -3.753 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.935 -4.718 -4.668 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.453 -3.843 -3.959 1.00 0.00 C ATOM 668 CE2 TYR A 46 8.030 -5.534 -4.877 1.00 0.00 C ATOM 669 CZ TYR A 46 9.287 -5.091 -4.521 1.00 0.00 C ATOM 670 OH TYR A 46 10.381 -5.900 -4.727 1.00 0.00 O ATOM 0 H TYR A 46 4.309 -0.800 -2.803 1.00 0.00 H new ATOM 0 HA TYR A 46 5.062 -3.572 -2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.063 -2.895 -4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.125 -1.548 -4.168 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.486 -2.059 -3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.952 -5.067 -4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.438 -3.499 -3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.903 -6.512 -5.316 1.00 0.00 H new ATOM 0 HH TYR A 46 10.092 -6.745 -5.130 1.00 0.00 H new ATOM 680 N GLN A 47 6.765 -2.964 -0.481 1.00 0.00 N ATOM 681 CA GLN A 47 7.820 -2.677 0.484 1.00 0.00 C ATOM 682 C GLN A 47 9.133 -3.329 0.065 1.00 0.00 C ATOM 683 O GLN A 47 9.291 -4.550 0.111 1.00 0.00 O ATOM 684 CB GLN A 47 7.414 -3.167 1.875 1.00 0.00 C ATOM 685 CG GLN A 47 8.572 -3.237 2.857 1.00 0.00 C ATOM 686 CD GLN A 47 8.111 -3.401 4.292 1.00 0.00 C ATOM 687 OE1 GLN A 47 7.819 -4.510 4.740 1.00 0.00 O ATOM 688 NE2 GLN A 47 8.044 -2.294 5.023 1.00 0.00 N ATOM 0 H GLN A 47 6.258 -3.832 -0.306 1.00 0.00 H new ATOM 0 HA GLN A 47 7.966 -1.597 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.648 -2.503 2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.964 -4.156 1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.220 -4.072 2.590 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.170 -2.330 2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.295 -1.395 4.612 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.741 -2.343 5.996 1.00 0.00 H new ATOM 697 N PRO A 48 10.100 -2.499 -0.354 1.00 0.00 N ATOM 698 CA PRO A 48 11.417 -2.973 -0.790 1.00 0.00 C ATOM 699 C PRO A 48 12.249 -3.515 0.368 1.00 0.00 C ATOM 700 O PRO A 48 11.955 -3.251 1.533 1.00 0.00 O ATOM 701 CB PRO A 48 12.069 -1.719 -1.376 1.00 0.00 C ATOM 702 CG PRO A 48 11.393 -0.584 -0.688 1.00 0.00 C ATOM 703 CD PRO A 48 9.981 -1.034 -0.436 1.00 0.00 C ATOM 0 HA PRO A 48 11.340 -3.799 -1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.144 -1.709 -1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.929 -1.668 -2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.897 -0.338 0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.412 0.314 -1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.583 -0.611 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.312 -0.729 -1.241 1.00 0.00 H new ATOM 711 N ALA A 49 13.289 -4.275 0.038 1.00 0.00 N ATOM 712 CA ALA A 49 14.165 -4.851 1.050 1.00 0.00 C ATOM 713 C ALA A 49 14.618 -3.794 2.051 1.00 0.00 C ATOM 714 O ALA A 49 15.379 -2.889 1.711 1.00 0.00 O ATOM 715 CB ALA A 49 15.369 -5.509 0.392 1.00 0.00 C ATOM 0 H ALA A 49 13.545 -4.506 -0.922 1.00 0.00 H new ATOM 0 HA ALA A 49 13.602 -5.610 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.015 -5.935 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.031 -6.300 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.925 -4.764 -0.178 1.00 0.00 H new ATOM 721 N SER A 50 14.144 -3.915 3.287 1.00 0.00 N ATOM 722 CA SER A 50 14.496 -2.967 4.337 1.00 0.00 C ATOM 723 C SER A 50 15.050 -3.691 5.560 1.00 0.00 C ATOM 724 O SER A 50 14.932 -4.911 5.679 1.00 0.00 O ATOM 725 CB SER A 50 13.276 -2.134 4.732 1.00 0.00 C ATOM 726 OG SER A 50 13.096 -1.041 3.848 1.00 0.00 O ATOM 0 H SER A 50 13.515 -4.660 3.586 1.00 0.00 H new ATOM 0 HA SER A 50 15.269 -2.304 3.949 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.385 -2.762 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.398 -1.766 5.751 1.00 0.00 H new ATOM 0 HG SER A 50 12.309 -0.525 4.121 1.00 0.00 H new ATOM 732 N ASP A 51 15.654 -2.931 6.467 1.00 0.00 N ATOM 733 CA ASP A 51 16.225 -3.500 7.683 1.00 0.00 C ATOM 734 C ASP A 51 15.193 -4.344 8.425 1.00 0.00 C ATOM 735 O ASP A 51 15.519 -5.392 8.984 1.00 0.00 O ATOM 736 CB ASP A 51 16.744 -2.388 8.595 1.00 0.00 C ATOM 737 CG ASP A 51 17.558 -2.925 9.756 1.00 0.00 C ATOM 738 OD1 ASP A 51 16.986 -3.648 10.599 1.00 0.00 O ATOM 739 OD2 ASP A 51 18.768 -2.623 9.822 1.00 0.00 O ATOM 0 H ASP A 51 15.761 -1.920 6.384 1.00 0.00 H new ATOM 0 HA ASP A 51 17.057 -4.144 7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 51 17.357 -1.700 8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.901 -1.815 8.980 1.00 0.00 H new ATOM 744 N HIS A 52 13.948 -3.879 8.428 1.00 0.00 N ATOM 745 CA HIS A 52 12.868 -4.591 9.102 1.00 0.00 C ATOM 746 C HIS A 52 12.509 -5.871 8.352 1.00 0.00 C ATOM 747 O HIS A 52 12.700 -6.975 8.861 1.00 0.00 O ATOM 748 CB HIS A 52 11.635 -3.695 9.223 1.00 0.00 C ATOM 749 CG HIS A 52 11.640 -2.834 10.449 1.00 0.00 C ATOM 750 ND1 HIS A 52 11.229 -3.283 11.686 1.00 0.00 N ATOM 751 CD2 HIS A 52 12.010 -1.543 10.622 1.00 0.00 C ATOM 752 CE1 HIS A 52 11.345 -2.306 12.567 1.00 0.00 C ATOM 753 NE2 HIS A 52 11.817 -1.239 11.948 1.00 0.00 N ATOM 0 H HIS A 52 13.662 -3.013 7.972 1.00 0.00 H new ATOM 0 HA HIS A 52 13.212 -4.860 10.101 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.571 -3.057 8.341 1.00 0.00 H new ATOM 0 HB3 HIS A 52 10.741 -4.319 9.231 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.387 -0.877 9.860 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.096 -2.369 13.616 1.00 0.00 H new ATOM 0 HE2 HIS A 52 12.007 -0.336 12.383 1.00 0.00 H new ATOM 762 N SER A 53 11.988 -5.713 7.139 1.00 0.00 N ATOM 763 CA SER A 53 11.598 -6.856 6.320 1.00 0.00 C ATOM 764 C SER A 53 12.123 -6.707 4.896 1.00 0.00 C ATOM 765 O SER A 53 12.261 -5.603 4.369 1.00 0.00 O ATOM 766 CB SER A 53 10.075 -7.001 6.302 1.00 0.00 C ATOM 767 OG SER A 53 9.445 -5.746 6.111 1.00 0.00 O ATOM 0 H SER A 53 11.826 -4.806 6.702 1.00 0.00 H new ATOM 0 HA SER A 53 12.036 -7.753 6.758 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.781 -7.684 5.505 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.737 -7.442 7.240 1.00 0.00 H new ATOM 0 HG SER A 53 8.746 -5.831 5.429 1.00 0.00 H new ATOM 773 N PRO A 54 12.424 -7.847 4.255 1.00 0.00 N ATOM 774 CA PRO A 54 12.938 -7.871 2.882 1.00 0.00 C ATOM 775 C PRO A 54 11.883 -7.461 1.861 1.00 0.00 C ATOM 776 O PRO A 54 10.740 -7.173 2.216 1.00 0.00 O ATOM 777 CB PRO A 54 13.337 -9.335 2.679 1.00 0.00 C ATOM 778 CG PRO A 54 12.481 -10.097 3.631 1.00 0.00 C ATOM 779 CD PRO A 54 12.284 -9.199 4.821 1.00 0.00 C ATOM 0 HA PRO A 54 13.758 -7.167 2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.165 -9.653 1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.396 -9.489 2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.525 -10.356 3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.959 -11.032 3.923 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.304 -9.345 5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.027 -9.389 5.595 1.00 0.00 H new ATOM 787 N ALA A 55 12.273 -7.436 0.591 1.00 0.00 N ATOM 788 CA ALA A 55 11.360 -7.063 -0.482 1.00 0.00 C ATOM 789 C ALA A 55 10.098 -7.918 -0.452 1.00 0.00 C ATOM 790 O ALA A 55 10.164 -9.141 -0.572 1.00 0.00 O ATOM 791 CB ALA A 55 12.053 -7.187 -1.831 1.00 0.00 C ATOM 0 H ALA A 55 13.216 -7.670 0.280 1.00 0.00 H new ATOM 0 HA ALA A 55 11.066 -6.024 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.360 -6.905 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.920 -6.527 -1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.376 -8.217 -1.981 1.00 0.00 H new ATOM 797 N ALA A 56 8.951 -7.267 -0.290 1.00 0.00 N ATOM 798 CA ALA A 56 7.675 -7.969 -0.245 1.00 0.00 C ATOM 799 C ALA A 56 6.511 -7.007 -0.463 1.00 0.00 C ATOM 800 O ALA A 56 6.570 -5.847 -0.058 1.00 0.00 O ATOM 801 CB ALA A 56 7.518 -8.696 1.082 1.00 0.00 C ATOM 0 H ALA A 56 8.880 -6.255 -0.188 1.00 0.00 H new ATOM 0 HA ALA A 56 7.664 -8.702 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.560 -9.216 1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.325 -9.419 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.556 -7.975 1.899 1.00 0.00 H new ATOM 807 N GLU A 57 5.456 -7.497 -1.107 1.00 0.00 N ATOM 808 CA GLU A 57 4.281 -6.679 -1.379 1.00 0.00 C ATOM 809 C GLU A 57 3.205 -6.901 -0.320 1.00 0.00 C ATOM 810 O GLU A 57 2.705 -8.012 -0.150 1.00 0.00 O ATOM 811 CB GLU A 57 3.719 -7.000 -2.766 1.00 0.00 C ATOM 812 CG GLU A 57 2.992 -5.833 -3.413 1.00 0.00 C ATOM 813 CD GLU A 57 2.414 -6.186 -4.770 1.00 0.00 C ATOM 814 OE1 GLU A 57 1.293 -6.735 -4.813 1.00 0.00 O ATOM 815 OE2 GLU A 57 3.082 -5.913 -5.789 1.00 0.00 O ATOM 0 H GLU A 57 5.392 -8.456 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 57 4.585 -5.633 -1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.536 -7.314 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.034 -7.844 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.189 -5.501 -2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.681 -4.996 -3.522 1.00 0.00 H new ATOM 822 N GLY A 58 2.855 -5.834 0.392 1.00 0.00 N ATOM 823 CA GLY A 58 1.842 -5.933 1.427 1.00 0.00 C ATOM 824 C GLY A 58 0.840 -4.798 1.367 1.00 0.00 C ATOM 825 O GLY A 58 1.162 -3.700 0.913 1.00 0.00 O ATOM 0 H GLY A 58 3.255 -4.903 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.317 -6.883 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.325 -5.936 2.404 1.00 0.00 H new ATOM 829 N TRP A 59 -0.379 -5.063 1.824 1.00 0.00 N ATOM 830 CA TRP A 59 -1.433 -4.054 1.818 1.00 0.00 C ATOM 831 C TRP A 59 -1.377 -3.202 3.081 1.00 0.00 C ATOM 832 O TRP A 59 -1.099 -3.705 4.170 1.00 0.00 O ATOM 833 CB TRP A 59 -2.804 -4.721 1.698 1.00 0.00 C ATOM 834 CG TRP A 59 -3.039 -5.361 0.363 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.571 -6.572 -0.059 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.798 -4.821 -0.724 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.993 -6.818 -1.343 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.748 -5.759 -1.773 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.516 -3.637 -0.913 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.388 -5.548 -2.992 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.150 -3.429 -2.123 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.084 -4.380 -3.149 1.00 0.00 C ATOM 0 H TRP A 59 -0.662 -5.967 2.203 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.276 -3.404 0.957 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.902 -5.477 2.477 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.579 -3.976 1.877 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.959 -7.239 0.530 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.779 -7.653 -1.888 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.574 -2.898 -0.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.337 -6.280 -3.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.706 -2.517 -2.280 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.592 -4.188 -4.082 1.00 0.00 H new ATOM 853 N VAL A 60 -1.644 -1.908 2.929 1.00 0.00 N ATOM 854 CA VAL A 60 -1.625 -0.986 4.058 1.00 0.00 C ATOM 855 C VAL A 60 -2.720 0.067 3.926 1.00 0.00 C ATOM 856 O VAL A 60 -3.135 0.432 2.826 1.00 0.00 O ATOM 857 CB VAL A 60 -0.262 -0.281 4.184 1.00 0.00 C ATOM 858 CG1 VAL A 60 0.859 -1.302 4.305 1.00 0.00 C ATOM 859 CG2 VAL A 60 -0.029 0.642 2.998 1.00 0.00 C ATOM 0 H VAL A 60 -1.876 -1.475 2.035 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.802 -1.580 4.955 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.268 0.324 5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.814 -0.785 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.697 -1.917 5.190 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.870 -1.937 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.939 1.132 3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.043 0.061 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.816 1.396 2.964 1.00 0.00 H new ATOM 869 N PRO A 61 -3.201 0.568 5.074 1.00 0.00 N ATOM 870 CA PRO A 61 -4.253 1.587 5.113 1.00 0.00 C ATOM 871 C PRO A 61 -3.767 2.942 4.611 1.00 0.00 C ATOM 872 O PRO A 61 -2.668 3.382 4.946 1.00 0.00 O ATOM 873 CB PRO A 61 -4.616 1.666 6.598 1.00 0.00 C ATOM 874 CG PRO A 61 -3.391 1.209 7.312 1.00 0.00 C ATOM 875 CD PRO A 61 -2.753 0.178 6.421 1.00 0.00 C ATOM 0 HA PRO A 61 -5.093 1.330 4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.886 2.682 6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.470 1.031 6.831 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.712 2.042 7.494 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.641 0.784 8.284 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.666 0.193 6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.078 -0.831 6.676 1.00 0.00 H new ATOM 883 N GLY A 62 -4.594 3.601 3.804 1.00 0.00 N ATOM 884 CA GLY A 62 -4.230 4.900 3.269 1.00 0.00 C ATOM 885 C GLY A 62 -4.250 5.988 4.325 1.00 0.00 C ATOM 886 O GLY A 62 -4.022 7.159 4.022 1.00 0.00 O ATOM 0 H GLY A 62 -5.509 3.258 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.234 4.843 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.918 5.165 2.466 1.00 0.00 H new ATOM 890 N SER A 63 -4.524 5.601 5.566 1.00 0.00 N ATOM 891 CA SER A 63 -4.578 6.553 6.669 1.00 0.00 C ATOM 892 C SER A 63 -3.175 6.886 7.169 1.00 0.00 C ATOM 893 O SER A 63 -2.869 8.040 7.469 1.00 0.00 O ATOM 894 CB SER A 63 -5.420 5.990 7.816 1.00 0.00 C ATOM 895 OG SER A 63 -5.019 4.671 8.143 1.00 0.00 O ATOM 0 H SER A 63 -4.712 4.635 5.833 1.00 0.00 H new ATOM 0 HA SER A 63 -5.041 7.469 6.303 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.322 6.631 8.692 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.473 5.994 7.534 1.00 0.00 H new ATOM 0 HG SER A 63 -5.571 4.334 8.880 1.00 0.00 H new ATOM 901 N ILE A 64 -2.328 5.866 7.257 1.00 0.00 N ATOM 902 CA ILE A 64 -0.958 6.049 7.719 1.00 0.00 C ATOM 903 C ILE A 64 -0.025 6.374 6.558 1.00 0.00 C ATOM 904 O ILE A 64 1.192 6.210 6.660 1.00 0.00 O ATOM 905 CB ILE A 64 -0.437 4.796 8.447 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.209 3.658 7.450 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.414 4.369 9.532 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.618 2.522 8.008 1.00 0.00 C ATOM 0 H ILE A 64 -2.567 4.904 7.014 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.970 6.886 8.417 1.00 0.00 H new ATOM 0 HB ILE A 64 0.516 5.038 8.918 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.175 3.269 7.128 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.286 4.056 6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.032 3.482 10.037 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.531 5.177 10.255 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.381 4.142 9.082 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.739 1.752 7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.598 2.897 8.304 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.114 2.098 8.877 1.00 0.00 H new ATOM 920 N LEU A 65 -0.602 6.837 5.455 1.00 0.00 N ATOM 921 CA LEU A 65 0.179 7.188 4.273 1.00 0.00 C ATOM 922 C LEU A 65 0.095 8.684 3.989 1.00 0.00 C ATOM 923 O LEU A 65 -0.916 9.324 4.275 1.00 0.00 O ATOM 924 CB LEU A 65 -0.315 6.399 3.059 1.00 0.00 C ATOM 925 CG LEU A 65 -0.057 4.892 3.087 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.488 4.252 1.777 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.413 4.608 3.364 1.00 0.00 C ATOM 0 H LEU A 65 -1.607 6.978 5.354 1.00 0.00 H new ATOM 0 HA LEU A 65 1.221 6.932 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.388 6.562 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.156 6.811 2.167 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.649 4.456 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.297 3.180 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.553 4.425 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.076 4.692 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.579 3.531 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.024 5.057 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.690 5.032 4.329 1.00 0.00 H new ATOM 939 N ALA A 66 1.165 9.234 3.424 1.00 0.00 N ATOM 940 CA ALA A 66 1.211 10.654 3.098 1.00 0.00 C ATOM 941 C ALA A 66 1.949 10.892 1.785 1.00 0.00 C ATOM 942 O ALA A 66 2.823 10.121 1.388 1.00 0.00 O ATOM 943 CB ALA A 66 1.871 11.434 4.226 1.00 0.00 C ATOM 0 H ALA A 66 2.011 8.718 3.183 1.00 0.00 H new ATOM 0 HA ALA A 66 0.187 11.007 2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.898 12.493 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.300 11.298 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.888 11.070 4.374 1.00 0.00 H new ATOM 949 N PRO A 67 1.591 11.984 1.093 1.00 0.00 N ATOM 950 CA PRO A 67 2.207 12.348 -0.186 1.00 0.00 C ATOM 951 C PRO A 67 3.653 12.806 -0.023 1.00 0.00 C ATOM 952 O PRO A 67 3.914 13.928 0.411 1.00 0.00 O ATOM 953 CB PRO A 67 1.334 13.503 -0.685 1.00 0.00 C ATOM 954 CG PRO A 67 0.744 14.092 0.550 1.00 0.00 C ATOM 955 CD PRO A 67 0.557 12.947 1.507 1.00 0.00 C ATOM 0 HA PRO A 67 2.252 11.502 -0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.925 14.238 -1.231 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.559 13.149 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.402 14.851 0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.207 14.579 0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.692 13.262 2.542 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.443 12.520 1.432 1.00 0.00 H new ATOM 963 N PHE A 68 4.589 11.930 -0.374 1.00 0.00 N ATOM 964 CA PHE A 68 6.009 12.245 -0.267 1.00 0.00 C ATOM 965 C PHE A 68 6.407 13.316 -1.278 1.00 0.00 C ATOM 966 O PHE A 68 6.881 13.007 -2.371 1.00 0.00 O ATOM 967 CB PHE A 68 6.849 10.985 -0.484 1.00 0.00 C ATOM 968 CG PHE A 68 8.318 11.196 -0.247 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.770 11.737 0.945 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.245 10.854 -1.218 1.00 0.00 C ATOM 971 CE1 PHE A 68 10.121 11.932 1.166 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.597 11.046 -1.003 1.00 0.00 C ATOM 973 CZ PHE A 68 11.035 11.587 0.190 1.00 0.00 C ATOM 0 H PHE A 68 4.390 10.997 -0.735 1.00 0.00 H new ATOM 0 HA PHE A 68 6.196 12.630 0.735 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.491 10.200 0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.701 10.630 -1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.059 12.010 1.711 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.908 10.433 -2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.461 12.353 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.310 10.773 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.091 11.740 0.359 1.00 0.00 H new ATOM 983 N SER A 69 6.210 14.576 -0.905 1.00 0.00 N ATOM 984 CA SER A 69 6.543 15.694 -1.780 1.00 0.00 C ATOM 985 C SER A 69 7.925 15.505 -2.398 1.00 0.00 C ATOM 986 O SER A 69 8.059 15.343 -3.610 1.00 0.00 O ATOM 987 CB SER A 69 6.495 17.010 -1.002 1.00 0.00 C ATOM 988 OG SER A 69 5.248 17.171 -0.349 1.00 0.00 O ATOM 0 H SER A 69 5.821 14.849 -0.002 1.00 0.00 H new ATOM 0 HA SER A 69 5.806 15.728 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.299 17.031 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.663 17.845 -1.682 1.00 0.00 H new ATOM 0 HG SER A 69 5.243 18.019 0.143 1.00 0.00 H new ATOM 994 N GLY A 70 8.953 15.529 -1.554 1.00 0.00 N ATOM 995 CA GLY A 70 10.312 15.360 -2.035 1.00 0.00 C ATOM 996 C GLY A 70 11.175 16.577 -1.772 1.00 0.00 C ATOM 997 O GLY A 70 11.418 17.396 -2.660 1.00 0.00 O ATOM 0 H GLY A 70 8.869 15.662 -0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.759 14.490 -1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.293 15.157 -3.106 1.00 0.00 H new ATOM 1001 N PRO A 71 11.653 16.711 -0.526 1.00 0.00 N ATOM 1002 CA PRO A 71 12.501 17.836 -0.120 1.00 0.00 C ATOM 1003 C PRO A 71 13.888 17.774 -0.751 1.00 0.00 C ATOM 1004 O PRO A 71 14.412 18.784 -1.221 1.00 0.00 O ATOM 1005 CB PRO A 71 12.597 17.677 1.399 1.00 0.00 C ATOM 1006 CG PRO A 71 12.368 16.225 1.644 1.00 0.00 C ATOM 1007 CD PRO A 71 11.404 15.774 0.582 1.00 0.00 C ATOM 0 HA PRO A 71 12.088 18.793 -0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.573 17.992 1.769 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.851 18.287 1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.303 15.667 1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.958 16.057 2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 71 11.588 14.742 0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.372 15.826 0.928 1.00 0.00 H new ATOM 1015 N SER A 72 14.477 16.583 -0.758 1.00 0.00 N ATOM 1016 CA SER A 72 15.805 16.390 -1.328 1.00 0.00 C ATOM 1017 C SER A 72 15.829 16.795 -2.799 1.00 0.00 C ATOM 1018 O SER A 72 15.183 16.166 -3.638 1.00 0.00 O ATOM 1019 CB SER A 72 16.240 14.930 -1.182 1.00 0.00 C ATOM 1020 OG SER A 72 17.652 14.819 -1.151 1.00 0.00 O ATOM 0 H SER A 72 14.055 15.737 -0.375 1.00 0.00 H new ATOM 0 HA SER A 72 16.503 17.025 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.819 14.512 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.844 14.345 -2.012 1.00 0.00 H new ATOM 0 HG SER A 72 17.904 13.877 -1.055 1.00 0.00 H new ATOM 1026 N SER A 73 16.578 17.849 -3.105 1.00 0.00 N ATOM 1027 CA SER A 73 16.683 18.342 -4.473 1.00 0.00 C ATOM 1028 C SER A 73 18.141 18.397 -4.920 1.00 0.00 C ATOM 1029 O SER A 73 19.055 18.365 -4.097 1.00 0.00 O ATOM 1030 CB SER A 73 16.049 19.729 -4.589 1.00 0.00 C ATOM 1031 OG SER A 73 15.899 20.110 -5.946 1.00 0.00 O ATOM 0 H SER A 73 17.122 18.378 -2.423 1.00 0.00 H new ATOM 0 HA SER A 73 16.147 17.651 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.076 19.729 -4.098 1.00 0.00 H new ATOM 0 HB3 SER A 73 16.668 20.460 -4.069 1.00 0.00 H new ATOM 0 HG SER A 73 15.490 20.999 -5.993 1.00 0.00 H new ATOM 1037 N GLY A 74 18.349 18.481 -6.230 1.00 0.00 N ATOM 1038 CA GLY A 74 19.697 18.540 -6.765 1.00 0.00 C ATOM 1039 C GLY A 74 20.625 19.376 -5.907 1.00 0.00 C ATOM 1040 O GLY A 74 21.492 20.081 -6.423 1.00 0.00 O ATOM 0 H GLY A 74 17.608 18.509 -6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 74 20.096 17.529 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 74 19.667 18.955 -7.773 1.00 0.00 H new TER 1044 GLY A 74