USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 660 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 MET CE :methyl 137:sc= -1.43 (180deg=-2.54!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 2.2: A 74 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.27) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 14 THR OG1 : rot 104:sc= -3.96! USER MOD Single : A 15 ASN : amide:sc= -2.2 K(o=-2.2,f=-0.2) USER MOD Single : A 19 GLN : amide:sc= -0.067 X(o=-0.067,f=-0.22) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 25 LYS NZ :NH3+ -134:sc= -2.15! (180deg=-5.86!) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0484 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -110:sc= -1.51 USER MOD Single : A 29 THR OG1 : rot 178:sc= 0.523 USER MOD Single : A 34 GLN : amide:sc= 0.558 K(o=0.56,f=-1.1) USER MOD Single : A 36 SER OG : rot -150:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.889 K(o=-0.89,f=-0.15) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.9! C(o=-4.9!,f=-10!) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.412 USER MOD Single : A 52 TYR OH : rot 180:sc= -1.53 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0588 X(o=-0.059,f=0) USER MOD Single : A 66 MET CE :methyl -150:sc= -1.12 (180deg=-4!) USER MOD Single : A 68 LYS NZ :NH3+ -136:sc= 0.441 (180deg=-0.17!) USER MOD Single : A 75 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-3) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 7 11.312 10.677 -4.610 1.00 0.00 N ATOM 24 CA GLU A 7 9.957 10.346 -4.192 1.00 0.00 C ATOM 25 C GLU A 7 9.855 10.219 -2.677 1.00 0.00 C ATOM 26 O GLU A 7 10.770 10.590 -1.942 1.00 0.00 O ATOM 27 CB GLU A 7 9.469 9.055 -4.868 1.00 0.00 C ATOM 28 CG GLU A 7 10.547 8.272 -5.602 1.00 0.00 C ATOM 29 CD GLU A 7 11.054 8.987 -6.840 1.00 0.00 C ATOM 30 OE1 GLU A 7 10.650 10.147 -7.065 1.00 0.00 O ATOM 31 OE2 GLU A 7 11.857 8.386 -7.586 1.00 0.00 O ATOM 0 HA GLU A 7 9.313 11.167 -4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.024 8.410 -4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.679 9.308 -5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.382 8.091 -4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.151 7.298 -5.888 1.00 0.00 H new ATOM 38 N LYS A 8 8.731 9.686 -2.223 1.00 0.00 N ATOM 39 CA LYS A 8 8.493 9.498 -0.799 1.00 0.00 C ATOM 40 C LYS A 8 8.813 8.065 -0.392 1.00 0.00 C ATOM 41 O LYS A 8 8.672 7.138 -1.188 1.00 0.00 O ATOM 42 CB LYS A 8 7.042 9.837 -0.442 1.00 0.00 C ATOM 43 CG LYS A 8 6.025 8.852 -0.995 1.00 0.00 C ATOM 44 CD LYS A 8 4.881 9.565 -1.697 1.00 0.00 C ATOM 45 CE LYS A 8 3.558 8.851 -1.473 1.00 0.00 C ATOM 46 NZ LYS A 8 2.462 9.444 -2.289 1.00 0.00 N ATOM 0 H LYS A 8 7.966 9.375 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 8 9.150 10.174 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.944 9.874 0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.809 10.834 -0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.516 8.175 -1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.630 8.241 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.810 10.589 -1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.088 9.623 -2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.668 7.796 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.292 8.901 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.570 8.951 -2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.362 10.453 -2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.688 9.343 -3.299 1.00 0.00 H new ATOM 60 N LYS A 9 9.247 7.890 0.848 1.00 0.00 N ATOM 61 CA LYS A 9 9.591 6.570 1.355 1.00 0.00 C ATOM 62 C LYS A 9 8.605 6.130 2.428 1.00 0.00 C ATOM 63 O LYS A 9 8.298 6.882 3.353 1.00 0.00 O ATOM 64 CB LYS A 9 11.014 6.565 1.917 1.00 0.00 C ATOM 65 CG LYS A 9 11.398 5.258 2.597 1.00 0.00 C ATOM 66 CD LYS A 9 11.439 5.402 4.112 1.00 0.00 C ATOM 67 CE LYS A 9 12.745 4.879 4.690 1.00 0.00 C ATOM 68 NZ LYS A 9 12.525 4.072 5.922 1.00 0.00 N ATOM 0 H LYS A 9 9.369 8.646 1.522 1.00 0.00 H new ATOM 0 HA LYS A 9 9.538 5.865 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.716 6.763 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.115 7.381 2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.683 4.482 2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.374 4.933 2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.316 6.451 4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.603 4.859 4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.254 4.270 3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.402 5.718 4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.440 3.735 6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.063 4.660 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.919 3.257 5.699 1.00 0.00 H new ATOM 82 N ILE A 10 8.108 4.908 2.294 1.00 0.00 N ATOM 83 CA ILE A 10 7.151 4.367 3.249 1.00 0.00 C ATOM 84 C ILE A 10 7.520 2.942 3.644 1.00 0.00 C ATOM 85 O ILE A 10 8.310 2.286 2.965 1.00 0.00 O ATOM 86 CB ILE A 10 5.709 4.385 2.689 1.00 0.00 C ATOM 87 CG1 ILE A 10 5.622 5.244 1.424 1.00 0.00 C ATOM 88 CG2 ILE A 10 4.744 4.906 3.741 1.00 0.00 C ATOM 89 CD1 ILE A 10 5.814 6.723 1.684 1.00 0.00 C ATOM 0 H ILE A 10 8.351 4.273 1.534 1.00 0.00 H new ATOM 0 HA ILE A 10 7.189 5.008 4.130 1.00 0.00 H new ATOM 0 HB ILE A 10 5.434 3.363 2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.377 4.907 0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.650 5.089 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.733 4.914 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.778 4.259 4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.028 5.919 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.740 7.270 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.044 7.075 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.797 6.890 2.125 1.00 0.00 H new ATOM 101 N ARG A 11 6.946 2.468 4.744 1.00 0.00 N ATOM 102 CA ARG A 11 7.220 1.120 5.228 1.00 0.00 C ATOM 103 C ARG A 11 6.126 0.154 4.790 1.00 0.00 C ATOM 104 O ARG A 11 4.990 0.559 4.545 1.00 0.00 O ATOM 105 CB ARG A 11 7.341 1.117 6.753 1.00 0.00 C ATOM 106 CG ARG A 11 7.663 -0.249 7.335 1.00 0.00 C ATOM 107 CD ARG A 11 7.702 -0.211 8.855 1.00 0.00 C ATOM 108 NE ARG A 11 8.938 0.386 9.355 1.00 0.00 N ATOM 109 CZ ARG A 11 9.385 0.231 10.599 1.00 0.00 C ATOM 110 NH1 ARG A 11 8.702 -0.503 11.470 1.00 0.00 N ATOM 111 NH2 ARG A 11 10.518 0.809 10.974 1.00 0.00 N ATOM 0 H ARG A 11 6.288 2.997 5.317 1.00 0.00 H new ATOM 0 HA ARG A 11 8.165 0.790 4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.119 1.821 7.049 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.406 1.475 7.184 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.915 -0.971 7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.625 -0.591 6.954 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.849 0.357 9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.604 -1.224 9.246 1.00 0.00 H new ATOM 0 HE ARG A 11 9.491 0.955 8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.831 -0.951 11.187 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.049 -0.619 12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.047 1.373 10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.860 0.690 11.928 1.00 0.00 H new ATOM 125 N ILE A 12 6.474 -1.126 4.699 1.00 0.00 N ATOM 126 CA ILE A 12 5.518 -2.148 4.296 1.00 0.00 C ATOM 127 C ILE A 12 5.653 -3.391 5.166 1.00 0.00 C ATOM 128 O ILE A 12 6.749 -3.741 5.603 1.00 0.00 O ATOM 129 CB ILE A 12 5.705 -2.564 2.824 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.620 -1.347 1.899 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.661 -3.603 2.445 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.303 -1.557 0.561 1.00 0.00 C ATOM 0 H ILE A 12 7.410 -1.478 4.899 1.00 0.00 H new ATOM 0 HA ILE A 12 4.528 -1.709 4.419 1.00 0.00 H new ATOM 0 HB ILE A 12 6.696 -3.002 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.572 -1.102 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.071 -0.489 2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.798 -3.893 1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.771 -4.479 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.664 -3.182 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.204 -0.655 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.359 -1.772 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.837 -2.395 0.042 1.00 0.00 H new ATOM 144 N THR A 13 4.532 -4.061 5.405 1.00 0.00 N ATOM 145 CA THR A 13 4.533 -5.271 6.213 1.00 0.00 C ATOM 146 C THR A 13 3.410 -6.215 5.803 1.00 0.00 C ATOM 147 O THR A 13 2.233 -5.893 5.952 1.00 0.00 O ATOM 148 CB THR A 13 4.403 -4.923 7.689 1.00 0.00 C ATOM 149 OG1 THR A 13 4.993 -3.665 7.966 1.00 0.00 O ATOM 150 CG2 THR A 13 5.057 -5.946 8.581 1.00 0.00 C ATOM 0 H THR A 13 3.615 -3.787 5.052 1.00 0.00 H new ATOM 0 HA THR A 13 5.483 -5.779 6.045 1.00 0.00 H new ATOM 0 HB THR A 13 3.333 -4.900 7.897 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.896 -3.461 8.920 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.936 -5.651 9.623 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.590 -6.918 8.423 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.119 -6.010 8.343 1.00 0.00 H new ATOM 158 N THR A 14 3.778 -7.384 5.289 1.00 0.00 N ATOM 159 CA THR A 14 2.789 -8.365 4.860 1.00 0.00 C ATOM 160 C THR A 14 2.357 -9.261 6.009 1.00 0.00 C ATOM 161 O THR A 14 3.166 -9.642 6.864 1.00 0.00 O ATOM 162 CB THR A 14 3.321 -9.216 3.709 1.00 0.00 C ATOM 163 OG1 THR A 14 3.914 -10.407 4.189 1.00 0.00 O ATOM 164 CG2 THR A 14 4.342 -8.496 2.860 1.00 0.00 C ATOM 0 H THR A 14 4.747 -7.674 5.160 1.00 0.00 H new ATOM 0 HA THR A 14 1.918 -7.809 4.512 1.00 0.00 H new ATOM 0 HB THR A 14 2.452 -9.439 3.091 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.306 -11.160 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.680 -9.155 2.060 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.891 -7.603 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.193 -8.210 3.478 1.00 0.00 H new ATOM 172 N ASN A 15 1.069 -9.591 6.002 1.00 0.00 N ATOM 173 CA ASN A 15 0.464 -10.438 7.023 1.00 0.00 C ATOM 174 C ASN A 15 1.243 -11.736 7.211 1.00 0.00 C ATOM 175 O ASN A 15 1.208 -12.339 8.284 1.00 0.00 O ATOM 176 CB ASN A 15 -1.001 -10.728 6.655 1.00 0.00 C ATOM 177 CG ASN A 15 -1.204 -12.072 5.978 1.00 0.00 C ATOM 178 OD1 ASN A 15 -1.725 -13.011 6.579 1.00 0.00 O ATOM 179 ND2 ASN A 15 -0.789 -12.167 4.725 1.00 0.00 N ATOM 0 H ASN A 15 0.414 -9.277 5.286 1.00 0.00 H new ATOM 0 HA ASN A 15 0.495 -9.904 7.973 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.608 -10.691 7.560 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.364 -9.940 5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.896 -13.045 4.218 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -0.363 -11.362 4.267 1.00 0.00 H new ATOM 186 N ASP A 16 1.946 -12.166 6.169 1.00 0.00 N ATOM 187 CA ASP A 16 2.727 -13.394 6.248 1.00 0.00 C ATOM 188 C ASP A 16 3.798 -13.287 7.330 1.00 0.00 C ATOM 189 O ASP A 16 4.317 -14.296 7.804 1.00 0.00 O ATOM 190 CB ASP A 16 3.366 -13.714 4.895 1.00 0.00 C ATOM 191 CG ASP A 16 3.076 -15.133 4.446 1.00 0.00 C ATOM 192 OD1 ASP A 16 2.806 -15.987 5.316 1.00 0.00 O ATOM 193 OD2 ASP A 16 3.119 -15.389 3.224 1.00 0.00 O ATOM 0 H ASP A 16 1.991 -11.688 5.269 1.00 0.00 H new ATOM 0 HA ASP A 16 2.052 -14.208 6.513 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.995 -13.015 4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.444 -13.569 4.961 1.00 0.00 H new ATOM 198 N GLY A 17 4.120 -12.055 7.723 1.00 0.00 N ATOM 199 CA GLY A 17 5.119 -11.842 8.751 1.00 0.00 C ATOM 200 C GLY A 17 6.396 -11.235 8.209 1.00 0.00 C ATOM 201 O GLY A 17 7.477 -11.469 8.751 1.00 0.00 O ATOM 0 H GLY A 17 3.705 -11.203 7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.709 -11.188 9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.349 -12.793 9.231 1.00 0.00 H new ATOM 205 N ARG A 18 6.281 -10.452 7.140 1.00 0.00 N ATOM 206 CA ARG A 18 7.454 -9.816 6.543 1.00 0.00 C ATOM 207 C ARG A 18 7.220 -8.325 6.327 1.00 0.00 C ATOM 208 O ARG A 18 6.081 -7.864 6.307 1.00 0.00 O ATOM 209 CB ARG A 18 7.816 -10.497 5.220 1.00 0.00 C ATOM 210 CG ARG A 18 6.929 -10.092 4.057 1.00 0.00 C ATOM 211 CD ARG A 18 7.206 -10.939 2.828 1.00 0.00 C ATOM 212 NE ARG A 18 6.981 -12.359 3.082 1.00 0.00 N ATOM 213 CZ ARG A 18 5.830 -12.986 2.844 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.769 -12.311 2.416 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.735 -14.291 3.054 1.00 0.00 N ATOM 0 H ARG A 18 5.399 -10.243 6.673 1.00 0.00 H new ATOM 0 HA ARG A 18 8.288 -9.930 7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.851 -10.262 4.973 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.756 -11.578 5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.882 -10.194 4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.094 -9.041 3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.565 -10.611 2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.236 -10.787 2.507 1.00 0.00 H new ATOM 0 HE ARG A 18 7.753 -12.905 3.465 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.831 -11.304 2.267 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.892 -12.800 2.236 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.542 -14.812 3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.855 -14.774 2.873 1.00 0.00 H new ATOM 229 N GLN A 19 8.307 -7.573 6.167 1.00 0.00 N ATOM 230 CA GLN A 19 8.211 -6.131 5.956 1.00 0.00 C ATOM 231 C GLN A 19 9.342 -5.621 5.069 1.00 0.00 C ATOM 232 O GLN A 19 10.375 -6.273 4.917 1.00 0.00 O ATOM 233 CB GLN A 19 8.230 -5.385 7.294 1.00 0.00 C ATOM 234 CG GLN A 19 9.003 -6.103 8.389 1.00 0.00 C ATOM 235 CD GLN A 19 10.499 -6.103 8.143 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.094 -5.062 7.862 1.00 0.00 O ATOM 237 NE2 GLN A 19 11.115 -7.275 8.245 1.00 0.00 N ATOM 0 H GLN A 19 9.260 -7.936 6.179 1.00 0.00 H new ATOM 0 HA GLN A 19 7.264 -5.939 5.452 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.667 -4.398 7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.204 -5.232 7.628 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.796 -5.626 9.347 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.651 -7.132 8.462 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.582 -8.112 8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.121 -7.338 8.088 1.00 0.00 H new ATOM 246 N SER A 20 9.134 -4.442 4.492 1.00 0.00 N ATOM 247 CA SER A 20 10.125 -3.821 3.623 1.00 0.00 C ATOM 248 C SER A 20 9.816 -2.339 3.437 1.00 0.00 C ATOM 249 O SER A 20 8.841 -1.827 3.987 1.00 0.00 O ATOM 250 CB SER A 20 10.164 -4.525 2.264 1.00 0.00 C ATOM 251 OG SER A 20 11.492 -4.851 1.898 1.00 0.00 O ATOM 0 H SER A 20 8.282 -3.895 4.612 1.00 0.00 H new ATOM 0 HA SER A 20 11.103 -3.919 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.561 -5.432 2.303 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.722 -3.881 1.504 1.00 0.00 H new ATOM 0 HG SER A 20 11.490 -5.301 1.028 1.00 0.00 H new ATOM 257 N MET A 21 10.647 -1.654 2.662 1.00 0.00 N ATOM 258 CA MET A 21 10.453 -0.230 2.411 1.00 0.00 C ATOM 259 C MET A 21 10.473 0.070 0.921 1.00 0.00 C ATOM 260 O MET A 21 11.066 -0.663 0.131 1.00 0.00 O ATOM 261 CB MET A 21 11.521 0.594 3.135 1.00 0.00 C ATOM 262 CG MET A 21 12.903 0.510 2.504 1.00 0.00 C ATOM 263 SD MET A 21 13.757 -1.027 2.903 1.00 0.00 S ATOM 264 CE MET A 21 13.700 -1.862 1.321 1.00 0.00 C ATOM 0 H MET A 21 11.460 -2.059 2.197 1.00 0.00 H new ATOM 0 HA MET A 21 9.474 0.049 2.800 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.206 1.637 3.158 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.585 0.258 4.170 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.810 0.599 1.422 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.504 1.354 2.842 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.666 -2.323 1.118 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.928 -2.631 1.343 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.471 -1.140 0.537 1.00 0.00 H new ATOM 274 N VAL A 22 9.810 1.155 0.549 1.00 0.00 N ATOM 275 CA VAL A 22 9.735 1.561 -0.843 1.00 0.00 C ATOM 276 C VAL A 22 9.873 3.069 -0.984 1.00 0.00 C ATOM 277 O VAL A 22 9.881 3.798 0.007 1.00 0.00 O ATOM 278 CB VAL A 22 8.402 1.131 -1.471 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.373 -0.370 -1.693 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.240 1.578 -0.601 1.00 0.00 C ATOM 0 H VAL A 22 9.316 1.770 1.195 1.00 0.00 H new ATOM 0 HA VAL A 22 10.559 1.071 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 22 8.304 1.614 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.420 -0.654 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.185 -0.655 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.493 -0.881 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.301 1.266 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.330 1.126 0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.254 2.664 -0.505 1.00 0.00 H new ATOM 290 N THR A 23 9.976 3.526 -2.224 1.00 0.00 N ATOM 291 CA THR A 23 10.105 4.949 -2.506 1.00 0.00 C ATOM 292 C THR A 23 8.887 5.456 -3.276 1.00 0.00 C ATOM 293 O THR A 23 9.022 6.178 -4.264 1.00 0.00 O ATOM 294 CB THR A 23 11.387 5.217 -3.301 1.00 0.00 C ATOM 295 OG1 THR A 23 11.764 6.579 -3.198 1.00 0.00 O ATOM 296 CG2 THR A 23 11.260 4.886 -4.774 1.00 0.00 C ATOM 0 H THR A 23 9.973 2.931 -3.052 1.00 0.00 H new ATOM 0 HA THR A 23 10.161 5.486 -1.559 1.00 0.00 H new ATOM 0 HB THR A 23 12.141 4.563 -2.863 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.585 6.731 -3.711 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.203 5.099 -5.277 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.017 3.830 -4.890 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.468 5.491 -5.216 1.00 0.00 H new ATOM 304 N LEU A 24 7.699 5.064 -2.813 1.00 0.00 N ATOM 305 CA LEU A 24 6.436 5.461 -3.446 1.00 0.00 C ATOM 306 C LEU A 24 6.574 6.793 -4.181 1.00 0.00 C ATOM 307 O LEU A 24 7.073 7.769 -3.627 1.00 0.00 O ATOM 308 CB LEU A 24 5.328 5.555 -2.395 1.00 0.00 C ATOM 309 CG LEU A 24 3.992 4.935 -2.810 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.188 3.494 -3.255 1.00 0.00 C ATOM 311 CD2 LEU A 24 2.991 5.010 -1.667 1.00 0.00 C ATOM 0 H LEU A 24 7.583 4.466 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 24 6.175 4.698 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.671 5.067 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.165 6.605 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 24 3.596 5.503 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.227 3.069 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.870 3.465 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.607 2.913 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.047 4.564 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.381 4.467 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.827 6.053 -1.394 1.00 0.00 H new ATOM 323 N LYS A 25 6.143 6.824 -5.436 1.00 0.00 N ATOM 324 CA LYS A 25 6.242 8.035 -6.236 1.00 0.00 C ATOM 325 C LYS A 25 5.373 9.134 -5.655 1.00 0.00 C ATOM 326 O LYS A 25 4.527 8.882 -4.797 1.00 0.00 O ATOM 327 CB LYS A 25 5.851 7.762 -7.691 1.00 0.00 C ATOM 328 CG LYS A 25 7.047 7.527 -8.597 1.00 0.00 C ATOM 329 CD LYS A 25 7.559 6.108 -8.471 1.00 0.00 C ATOM 330 CE LYS A 25 8.192 5.876 -7.112 1.00 0.00 C ATOM 331 NZ LYS A 25 9.433 5.060 -7.212 1.00 0.00 N ATOM 0 H LYS A 25 5.724 6.029 -5.918 1.00 0.00 H new ATOM 0 HA LYS A 25 7.280 8.366 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.198 6.890 -7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.276 8.607 -8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.767 7.725 -9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.842 8.227 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.737 5.407 -8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.290 5.911 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.424 6.836 -6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.478 5.373 -6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.420 4.318 -6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.484 4.620 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.263 5.671 -7.070 1.00 0.00 H new ATOM 345 N SER A 26 5.596 10.354 -6.114 1.00 0.00 N ATOM 346 CA SER A 26 4.839 11.489 -5.623 1.00 0.00 C ATOM 347 C SER A 26 3.363 11.365 -5.988 1.00 0.00 C ATOM 348 O SER A 26 2.492 11.844 -5.263 1.00 0.00 O ATOM 349 CB SER A 26 5.411 12.796 -6.174 1.00 0.00 C ATOM 350 OG SER A 26 5.959 12.606 -7.468 1.00 0.00 O ATOM 0 H SER A 26 6.293 10.582 -6.823 1.00 0.00 H new ATOM 0 HA SER A 26 4.922 11.500 -4.536 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.626 13.552 -6.215 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.181 13.172 -5.501 1.00 0.00 H new ATOM 0 HG SER A 26 6.317 13.456 -7.800 1.00 0.00 H new ATOM 356 N SER A 27 3.090 10.717 -7.116 1.00 0.00 N ATOM 357 CA SER A 27 1.719 10.529 -7.577 1.00 0.00 C ATOM 358 C SER A 27 1.387 9.044 -7.691 1.00 0.00 C ATOM 359 O SER A 27 0.920 8.578 -8.731 1.00 0.00 O ATOM 360 CB SER A 27 1.512 11.218 -8.927 1.00 0.00 C ATOM 361 OG SER A 27 1.467 12.626 -8.781 1.00 0.00 O ATOM 0 H SER A 27 3.800 10.313 -7.727 1.00 0.00 H new ATOM 0 HA SER A 27 1.049 10.979 -6.845 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.321 10.946 -9.605 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.585 10.867 -9.379 1.00 0.00 H new ATOM 0 HG SER A 27 1.336 13.042 -9.659 1.00 0.00 H new ATOM 367 N THR A 28 1.637 8.302 -6.617 1.00 0.00 N ATOM 368 CA THR A 28 1.373 6.869 -6.596 1.00 0.00 C ATOM 369 C THR A 28 -0.044 6.573 -6.120 1.00 0.00 C ATOM 370 O THR A 28 -0.323 6.609 -4.923 1.00 0.00 O ATOM 371 CB THR A 28 2.378 6.163 -5.684 1.00 0.00 C ATOM 372 OG1 THR A 28 3.682 6.241 -6.223 1.00 0.00 O ATOM 373 CG2 THR A 28 2.063 4.698 -5.452 1.00 0.00 C ATOM 0 H THR A 28 2.023 8.671 -5.748 1.00 0.00 H new ATOM 0 HA THR A 28 1.478 6.496 -7.615 1.00 0.00 H new ATOM 0 HB THR A 28 2.311 6.684 -4.729 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.963 5.353 -6.528 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.817 4.263 -4.797 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.082 4.606 -4.987 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.063 4.170 -6.406 1.00 0.00 H new ATOM 381 N THR A 29 -0.928 6.254 -7.057 1.00 0.00 N ATOM 382 CA THR A 29 -2.304 5.926 -6.715 1.00 0.00 C ATOM 383 C THR A 29 -2.379 4.494 -6.196 1.00 0.00 C ATOM 384 O THR A 29 -1.388 3.765 -6.234 1.00 0.00 O ATOM 385 CB THR A 29 -3.220 6.102 -7.930 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.544 5.697 -7.623 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.769 5.319 -9.145 1.00 0.00 C ATOM 0 H THR A 29 -0.717 6.216 -8.054 1.00 0.00 H new ATOM 0 HA THR A 29 -2.643 6.606 -5.934 1.00 0.00 H new ATOM 0 HB THR A 29 -3.176 7.164 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.123 5.855 -8.398 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.464 5.491 -9.967 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.771 5.646 -9.439 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.747 4.256 -8.905 1.00 0.00 H new ATOM 395 N PHE A 30 -3.548 4.094 -5.705 1.00 0.00 N ATOM 396 CA PHE A 30 -3.730 2.743 -5.174 1.00 0.00 C ATOM 397 C PHE A 30 -3.141 1.700 -6.121 1.00 0.00 C ATOM 398 O PHE A 30 -2.663 0.652 -5.685 1.00 0.00 O ATOM 399 CB PHE A 30 -5.213 2.455 -4.935 1.00 0.00 C ATOM 400 CG PHE A 30 -5.479 1.066 -4.425 1.00 0.00 C ATOM 401 CD1 PHE A 30 -5.114 0.705 -3.138 1.00 0.00 C ATOM 402 CD2 PHE A 30 -6.092 0.124 -5.234 1.00 0.00 C ATOM 403 CE1 PHE A 30 -5.355 -0.572 -2.667 1.00 0.00 C ATOM 404 CE2 PHE A 30 -6.337 -1.154 -4.769 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.968 -1.502 -3.484 1.00 0.00 C ATOM 0 H PHE A 30 -4.381 4.681 -5.663 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.201 2.683 -4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.605 3.178 -4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.758 2.602 -5.867 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.636 1.430 -2.496 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.382 0.391 -6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.065 -0.842 -1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.816 -1.880 -5.409 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.159 -2.500 -3.119 1.00 0.00 H new ATOM 415 N PHE A 31 -3.170 1.998 -7.415 1.00 0.00 N ATOM 416 CA PHE A 31 -2.631 1.091 -8.419 1.00 0.00 C ATOM 417 C PHE A 31 -1.107 1.128 -8.410 1.00 0.00 C ATOM 418 O PHE A 31 -0.449 0.089 -8.371 1.00 0.00 O ATOM 419 CB PHE A 31 -3.153 1.461 -9.807 1.00 0.00 C ATOM 420 CG PHE A 31 -4.647 1.606 -9.867 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.462 0.487 -9.938 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.237 2.860 -9.852 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.837 0.616 -9.993 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.611 2.995 -9.908 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.412 1.872 -9.978 1.00 0.00 C ATOM 0 H PHE A 31 -3.561 2.861 -7.793 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.959 0.080 -8.177 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.692 2.397 -10.122 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.841 0.697 -10.519 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.017 -0.497 -9.950 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.616 3.742 -9.796 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.461 -0.264 -10.048 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.058 3.978 -9.897 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.486 1.976 -10.021 1.00 0.00 H new ATOM 435 N GLU A 32 -0.551 2.338 -8.442 1.00 0.00 N ATOM 436 CA GLU A 32 0.896 2.515 -8.431 1.00 0.00 C ATOM 437 C GLU A 32 1.502 1.887 -7.181 1.00 0.00 C ATOM 438 O GLU A 32 2.612 1.357 -7.215 1.00 0.00 O ATOM 439 CB GLU A 32 1.251 4.002 -8.494 1.00 0.00 C ATOM 440 CG GLU A 32 1.277 4.562 -9.906 1.00 0.00 C ATOM 441 CD GLU A 32 2.687 4.735 -10.437 1.00 0.00 C ATOM 442 OE1 GLU A 32 3.517 3.826 -10.226 1.00 0.00 O ATOM 443 OE2 GLU A 32 2.960 5.779 -11.065 1.00 0.00 O ATOM 0 H GLU A 32 -1.082 3.208 -8.476 1.00 0.00 H new ATOM 0 HA GLU A 32 1.309 2.016 -9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.529 4.565 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.227 4.154 -8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.722 3.896 -10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.766 5.525 -9.921 1.00 0.00 H new ATOM 450 N LEU A 33 0.758 1.945 -6.082 1.00 0.00 N ATOM 451 CA LEU A 33 1.213 1.377 -4.820 1.00 0.00 C ATOM 452 C LEU A 33 1.241 -0.145 -4.900 1.00 0.00 C ATOM 453 O LEU A 33 2.220 -0.780 -4.510 1.00 0.00 O ATOM 454 CB LEU A 33 0.302 1.830 -3.675 1.00 0.00 C ATOM 455 CG LEU A 33 0.521 1.115 -2.339 1.00 0.00 C ATOM 456 CD1 LEU A 33 1.998 1.084 -1.979 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.281 1.790 -1.237 1.00 0.00 C ATOM 0 H LEU A 33 -0.164 2.380 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 33 2.225 1.733 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.443 2.900 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.735 1.686 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 33 0.173 0.087 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.130 0.571 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.551 0.555 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.374 2.104 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.114 1.269 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.037 2.828 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.342 1.757 -1.487 1.00 0.00 H new ATOM 469 N GLN A 34 0.159 -0.724 -5.414 1.00 0.00 N ATOM 470 CA GLN A 34 0.060 -2.174 -5.550 1.00 0.00 C ATOM 471 C GLN A 34 1.218 -2.725 -6.378 1.00 0.00 C ATOM 472 O GLN A 34 1.625 -3.874 -6.207 1.00 0.00 O ATOM 473 CB GLN A 34 -1.272 -2.556 -6.198 1.00 0.00 C ATOM 474 CG GLN A 34 -2.486 -2.172 -5.369 1.00 0.00 C ATOM 475 CD GLN A 34 -3.094 -3.354 -4.640 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.288 -3.624 -4.760 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.270 -4.067 -3.881 1.00 0.00 N ATOM 0 H GLN A 34 -0.660 -0.212 -5.743 1.00 0.00 H new ATOM 0 HA GLN A 34 0.111 -2.611 -4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.342 -2.075 -7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.287 -3.632 -6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.199 -1.411 -4.643 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.238 -1.725 -6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.286 -3.806 -3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.621 -4.876 -3.368 1.00 0.00 H new ATOM 486 N GLU A 35 1.745 -1.896 -7.274 1.00 0.00 N ATOM 487 CA GLU A 35 2.857 -2.297 -8.128 1.00 0.00 C ATOM 488 C GLU A 35 4.187 -2.178 -7.388 1.00 0.00 C ATOM 489 O GLU A 35 5.151 -2.870 -7.712 1.00 0.00 O ATOM 490 CB GLU A 35 2.888 -1.442 -9.395 1.00 0.00 C ATOM 491 CG GLU A 35 3.976 -1.846 -10.376 1.00 0.00 C ATOM 492 CD GLU A 35 3.460 -1.990 -11.795 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.637 -1.150 -12.216 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.878 -2.942 -12.485 1.00 0.00 O ATOM 0 H GLU A 35 1.419 -0.942 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 35 2.709 -3.341 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.920 -1.508 -9.892 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.032 -0.398 -9.115 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.772 -1.101 -10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.416 -2.791 -10.056 1.00 0.00 H new ATOM 501 N SER A 36 4.231 -1.298 -6.392 1.00 0.00 N ATOM 502 CA SER A 36 5.443 -1.092 -5.607 1.00 0.00 C ATOM 503 C SER A 36 5.696 -2.280 -4.688 1.00 0.00 C ATOM 504 O SER A 36 6.776 -2.869 -4.702 1.00 0.00 O ATOM 505 CB SER A 36 5.332 0.193 -4.784 1.00 0.00 C ATOM 506 OG SER A 36 5.879 1.297 -5.484 1.00 0.00 O ATOM 0 H SER A 36 3.442 -0.717 -6.110 1.00 0.00 H new ATOM 0 HA SER A 36 6.284 -0.999 -6.295 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.286 0.389 -4.550 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.853 0.066 -3.835 1.00 0.00 H new ATOM 0 HG SER A 36 6.235 1.947 -4.843 1.00 0.00 H new ATOM 512 N ILE A 37 4.690 -2.629 -3.893 1.00 0.00 N ATOM 513 CA ILE A 37 4.801 -3.753 -2.971 1.00 0.00 C ATOM 514 C ILE A 37 5.139 -5.033 -3.722 1.00 0.00 C ATOM 515 O ILE A 37 5.925 -5.854 -3.252 1.00 0.00 O ATOM 516 CB ILE A 37 3.495 -3.960 -2.178 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.078 -2.658 -1.490 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.660 -5.079 -1.158 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.627 -2.295 -1.718 1.00 0.00 C ATOM 0 H ILE A 37 3.790 -2.150 -3.869 1.00 0.00 H new ATOM 0 HA ILE A 37 5.603 -3.519 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 37 2.708 -4.248 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.258 -2.748 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.709 -1.846 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.728 -5.210 -0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.911 -6.006 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.459 -4.822 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.400 -1.362 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.446 -2.173 -2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.988 -3.089 -1.330 1.00 0.00 H new ATOM 531 N ALA A 38 4.544 -5.192 -4.899 1.00 0.00 N ATOM 532 CA ALA A 38 4.788 -6.369 -5.721 1.00 0.00 C ATOM 533 C ALA A 38 6.273 -6.512 -6.046 1.00 0.00 C ATOM 534 O ALA A 38 6.735 -7.593 -6.409 1.00 0.00 O ATOM 535 CB ALA A 38 3.964 -6.300 -6.998 1.00 0.00 C ATOM 0 H ALA A 38 3.891 -4.521 -5.304 1.00 0.00 H new ATOM 0 HA ALA A 38 4.483 -7.250 -5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.156 -7.186 -7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.905 -6.256 -6.745 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.240 -5.409 -7.562 1.00 0.00 H new ATOM 541 N ARG A 39 7.019 -5.416 -5.905 1.00 0.00 N ATOM 542 CA ARG A 39 8.450 -5.430 -6.177 1.00 0.00 C ATOM 543 C ARG A 39 9.233 -5.754 -4.910 1.00 0.00 C ATOM 544 O ARG A 39 10.065 -6.662 -4.893 1.00 0.00 O ATOM 545 CB ARG A 39 8.905 -4.079 -6.735 1.00 0.00 C ATOM 546 CG ARG A 39 7.903 -3.441 -7.682 1.00 0.00 C ATOM 547 CD ARG A 39 8.597 -2.693 -8.809 1.00 0.00 C ATOM 548 NE ARG A 39 7.946 -2.917 -10.098 1.00 0.00 N ATOM 549 CZ ARG A 39 8.534 -2.706 -11.273 1.00 0.00 C ATOM 550 NH1 ARG A 39 9.786 -2.268 -11.329 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.868 -2.935 -12.397 1.00 0.00 N ATOM 0 H ARG A 39 6.654 -4.512 -5.605 1.00 0.00 H new ATOM 0 HA ARG A 39 8.645 -6.203 -6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.092 -3.398 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.852 -4.212 -7.258 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.255 -4.211 -8.100 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.264 -2.754 -7.128 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.602 -1.626 -8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.638 -3.012 -8.868 1.00 0.00 H new ATOM 0 HE ARG A 39 6.984 -3.255 -10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.303 -2.091 -10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.231 -2.108 -12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.906 -3.272 -12.360 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.318 -2.774 -13.298 1.00 0.00 H new ATOM 565 N GLU A 40 8.958 -5.001 -3.851 1.00 0.00 N ATOM 566 CA GLU A 40 9.629 -5.198 -2.572 1.00 0.00 C ATOM 567 C GLU A 40 9.342 -6.586 -2.006 1.00 0.00 C ATOM 568 O GLU A 40 10.129 -7.122 -1.227 1.00 0.00 O ATOM 569 CB GLU A 40 9.188 -4.123 -1.574 1.00 0.00 C ATOM 570 CG GLU A 40 10.257 -3.079 -1.288 1.00 0.00 C ATOM 571 CD GLU A 40 10.867 -2.503 -2.553 1.00 0.00 C ATOM 572 OE1 GLU A 40 10.117 -2.286 -3.528 1.00 0.00 O ATOM 573 OE2 GLU A 40 12.093 -2.270 -2.567 1.00 0.00 O ATOM 0 H GLU A 40 8.272 -4.246 -3.854 1.00 0.00 H new ATOM 0 HA GLU A 40 10.703 -5.115 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.299 -3.624 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.902 -4.604 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.822 -2.272 -0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.044 -3.527 -0.682 1.00 0.00 H new ATOM 580 N PHE A 41 8.209 -7.161 -2.398 1.00 0.00 N ATOM 581 CA PHE A 41 7.822 -8.484 -1.923 1.00 0.00 C ATOM 582 C PHE A 41 7.541 -9.425 -3.092 1.00 0.00 C ATOM 583 O PHE A 41 7.834 -9.102 -4.242 1.00 0.00 O ATOM 584 CB PHE A 41 6.594 -8.376 -1.018 1.00 0.00 C ATOM 585 CG PHE A 41 6.773 -7.393 0.103 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.528 -6.043 -0.095 1.00 0.00 C ATOM 587 CD2 PHE A 41 7.191 -7.816 1.354 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.697 -5.136 0.932 1.00 0.00 C ATOM 589 CE2 PHE A 41 7.361 -6.913 2.385 1.00 0.00 C ATOM 590 CZ PHE A 41 7.113 -5.572 2.175 1.00 0.00 C ATOM 0 H PHE A 41 7.544 -6.732 -3.042 1.00 0.00 H new ATOM 0 HA PHE A 41 8.651 -8.899 -1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.733 -8.081 -1.618 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.370 -9.358 -0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.201 -5.697 -1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.386 -8.864 1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.504 -4.087 0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.688 -7.256 3.355 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.244 -4.865 2.981 1.00 0.00 H new ATOM 600 N ASN A 42 6.982 -10.593 -2.788 1.00 0.00 N ATOM 601 CA ASN A 42 6.678 -11.582 -3.817 1.00 0.00 C ATOM 602 C ASN A 42 5.173 -11.819 -3.936 1.00 0.00 C ATOM 603 O ASN A 42 4.713 -12.961 -3.925 1.00 0.00 O ATOM 604 CB ASN A 42 7.391 -12.900 -3.509 1.00 0.00 C ATOM 605 CG ASN A 42 8.878 -12.711 -3.282 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.699 -13.095 -4.116 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.232 -12.118 -2.148 1.00 0.00 N ATOM 0 H ASN A 42 6.731 -10.877 -1.841 1.00 0.00 H new ATOM 0 HA ASN A 42 7.035 -11.192 -4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.945 -13.353 -2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.237 -13.595 -4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.219 -11.964 -1.939 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.517 -11.816 -1.486 1.00 0.00 H new ATOM 614 N ILE A 43 4.412 -10.737 -4.059 1.00 0.00 N ATOM 615 CA ILE A 43 2.965 -10.837 -4.192 1.00 0.00 C ATOM 616 C ILE A 43 2.448 -9.872 -5.257 1.00 0.00 C ATOM 617 O ILE A 43 2.855 -8.712 -5.305 1.00 0.00 O ATOM 618 CB ILE A 43 2.250 -10.549 -2.858 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.844 -11.408 -1.742 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.755 -10.806 -2.991 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.782 -10.649 -0.833 1.00 0.00 C ATOM 0 H ILE A 43 4.773 -9.783 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 43 2.745 -11.861 -4.492 1.00 0.00 H new ATOM 0 HB ILE A 43 2.398 -9.500 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.033 -11.827 -1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.380 -12.247 -2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.264 -10.598 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.341 -10.157 -3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.588 -11.848 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.166 -11.320 -0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.613 -10.252 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.245 -9.826 -0.361 1.00 0.00 H new ATOM 633 N PRO A 44 1.542 -10.341 -6.129 1.00 0.00 N ATOM 634 CA PRO A 44 0.974 -9.517 -7.199 1.00 0.00 C ATOM 635 C PRO A 44 0.028 -8.444 -6.666 1.00 0.00 C ATOM 636 O PRO A 44 -0.391 -8.493 -5.510 1.00 0.00 O ATOM 637 CB PRO A 44 0.216 -10.524 -8.065 1.00 0.00 C ATOM 638 CG PRO A 44 -0.113 -11.650 -7.145 1.00 0.00 C ATOM 639 CD PRO A 44 1.005 -11.713 -6.140 1.00 0.00 C ATOM 0 HA PRO A 44 1.744 -8.969 -7.742 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.687 -10.082 -8.487 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.826 -10.863 -8.902 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.070 -11.482 -6.652 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.197 -12.588 -7.693 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.642 -12.009 -5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.765 -12.438 -6.431 1.00 0.00 H new ATOM 647 N PRO A 45 -0.318 -7.454 -7.506 1.00 0.00 N ATOM 648 CA PRO A 45 -1.216 -6.360 -7.114 1.00 0.00 C ATOM 649 C PRO A 45 -2.637 -6.836 -6.827 1.00 0.00 C ATOM 650 O PRO A 45 -3.393 -6.164 -6.126 1.00 0.00 O ATOM 651 CB PRO A 45 -1.201 -5.427 -8.328 1.00 0.00 C ATOM 652 CG PRO A 45 -0.801 -6.294 -9.472 1.00 0.00 C ATOM 653 CD PRO A 45 0.139 -7.318 -8.901 1.00 0.00 C ATOM 0 HA PRO A 45 -0.887 -5.885 -6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.181 -4.980 -8.495 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.496 -4.607 -8.188 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.671 -6.771 -9.924 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.315 -5.710 -10.254 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.078 -8.264 -9.439 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.176 -6.987 -8.955 1.00 0.00 H new ATOM 661 N TYR A 46 -2.998 -7.995 -7.372 1.00 0.00 N ATOM 662 CA TYR A 46 -4.336 -8.544 -7.167 1.00 0.00 C ATOM 663 C TYR A 46 -4.376 -9.493 -5.967 1.00 0.00 C ATOM 664 O TYR A 46 -5.373 -10.177 -5.742 1.00 0.00 O ATOM 665 CB TYR A 46 -4.815 -9.270 -8.428 1.00 0.00 C ATOM 666 CG TYR A 46 -4.038 -10.528 -8.745 1.00 0.00 C ATOM 667 CD1 TYR A 46 -2.876 -10.478 -9.503 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.470 -11.767 -8.287 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.165 -11.625 -9.797 1.00 0.00 C ATOM 670 CE2 TYR A 46 -3.764 -12.920 -8.577 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.612 -12.843 -9.330 1.00 0.00 C ATOM 672 OH TYR A 46 -1.906 -13.989 -9.620 1.00 0.00 O ATOM 0 H TYR A 46 -2.388 -8.569 -7.955 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.006 -7.710 -6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.868 -9.525 -8.310 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.745 -8.589 -9.276 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.522 -9.526 -9.869 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.371 -11.830 -7.695 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.264 -11.568 -10.389 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.113 -13.876 -8.215 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.355 -14.761 -9.216 1.00 0.00 H new ATOM 682 N LEU A 47 -3.290 -9.528 -5.197 1.00 0.00 N ATOM 683 CA LEU A 47 -3.214 -10.391 -4.021 1.00 0.00 C ATOM 684 C LEU A 47 -2.647 -9.645 -2.814 1.00 0.00 C ATOM 685 O LEU A 47 -2.442 -10.237 -1.755 1.00 0.00 O ATOM 686 CB LEU A 47 -2.347 -11.615 -4.316 1.00 0.00 C ATOM 687 CG LEU A 47 -2.956 -12.625 -5.288 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.992 -13.775 -5.535 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.283 -13.143 -4.754 1.00 0.00 C ATOM 0 H LEU A 47 -2.453 -8.970 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.229 -10.710 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.393 -11.276 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.132 -12.123 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.140 -12.123 -6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.442 -14.484 -6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.066 -13.388 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.776 -14.278 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.703 -13.861 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.123 -13.629 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.975 -12.310 -4.629 1.00 0.00 H new ATOM 701 N GLN A 48 -2.386 -8.350 -2.974 1.00 0.00 N ATOM 702 CA GLN A 48 -1.835 -7.550 -1.888 1.00 0.00 C ATOM 703 C GLN A 48 -2.864 -6.568 -1.338 1.00 0.00 C ATOM 704 O GLN A 48 -3.239 -5.606 -2.008 1.00 0.00 O ATOM 705 CB GLN A 48 -0.600 -6.786 -2.369 1.00 0.00 C ATOM 706 CG GLN A 48 0.578 -7.685 -2.706 1.00 0.00 C ATOM 707 CD GLN A 48 1.723 -6.929 -3.351 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.870 -7.026 -2.914 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.418 -6.174 -4.400 1.00 0.00 N ATOM 0 H GLN A 48 -2.547 -7.836 -3.840 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.553 -8.232 -1.086 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.865 -6.202 -3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.297 -6.078 -1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.934 -8.168 -1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.246 -8.476 -3.378 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.454 -6.123 -4.728 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.148 -5.645 -4.877 1.00 0.00 H new ATOM 718 N CYS A 49 -3.294 -6.806 -0.106 1.00 0.00 N ATOM 719 CA CYS A 49 -4.256 -5.931 0.550 1.00 0.00 C ATOM 720 C CYS A 49 -3.524 -5.007 1.516 1.00 0.00 C ATOM 721 O CYS A 49 -3.005 -5.454 2.539 1.00 0.00 O ATOM 722 CB CYS A 49 -5.316 -6.752 1.288 1.00 0.00 C ATOM 723 SG CYS A 49 -6.491 -5.762 2.242 1.00 0.00 S ATOM 0 H CYS A 49 -2.991 -7.599 0.460 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.764 -5.330 -0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.867 -7.349 0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.816 -7.449 1.960 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.346 -6.547 2.826 1.00 0.00 H new ATOM 729 N ILE A 50 -3.460 -3.726 1.164 1.00 0.00 N ATOM 730 CA ILE A 50 -2.762 -2.732 1.975 1.00 0.00 C ATOM 731 C ILE A 50 -3.610 -2.231 3.140 1.00 0.00 C ATOM 732 O ILE A 50 -4.838 -2.196 3.069 1.00 0.00 O ATOM 733 CB ILE A 50 -2.330 -1.522 1.121 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.560 -1.990 -0.116 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.485 -0.562 1.944 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.853 -1.174 -1.356 1.00 0.00 C ATOM 0 H ILE A 50 -3.886 -3.350 0.317 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.883 -3.236 2.377 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.225 -0.994 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.491 -1.946 0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.804 -3.034 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.190 0.285 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.065 -0.205 2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.594 -1.077 2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.273 -1.562 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.915 -1.238 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.582 -0.133 -1.179 1.00 0.00 H new ATOM 748 N ARG A 51 -2.925 -1.829 4.206 1.00 0.00 N ATOM 749 CA ARG A 51 -3.573 -1.306 5.399 1.00 0.00 C ATOM 750 C ARG A 51 -2.739 -0.175 5.988 1.00 0.00 C ATOM 751 O ARG A 51 -1.513 -0.188 5.891 1.00 0.00 O ATOM 752 CB ARG A 51 -3.748 -2.412 6.439 1.00 0.00 C ATOM 753 CG ARG A 51 -4.389 -3.674 5.892 1.00 0.00 C ATOM 754 CD ARG A 51 -4.852 -4.577 7.019 1.00 0.00 C ATOM 755 NE ARG A 51 -4.845 -5.988 6.644 1.00 0.00 N ATOM 756 CZ ARG A 51 -4.837 -6.985 7.526 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.840 -6.731 8.829 1.00 0.00 N ATOM 758 NH2 ARG A 51 -4.825 -8.241 7.106 1.00 0.00 N ATOM 0 H ARG A 51 -1.907 -1.857 4.265 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.556 -0.924 5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.773 -2.663 6.856 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.357 -2.033 7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.237 -3.411 5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.675 -4.207 5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.207 -4.431 7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.859 -4.289 7.320 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.846 -6.223 5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.849 -5.766 9.161 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.834 -7.500 9.499 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.822 -8.445 6.107 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.819 -9.005 7.782 1.00 0.00 H new ATOM 772 N TYR A 52 -3.400 0.802 6.596 1.00 0.00 N ATOM 773 CA TYR A 52 -2.693 1.931 7.188 1.00 0.00 C ATOM 774 C TYR A 52 -3.352 2.376 8.490 1.00 0.00 C ATOM 775 O TYR A 52 -4.577 2.380 8.611 1.00 0.00 O ATOM 776 CB TYR A 52 -2.634 3.095 6.198 1.00 0.00 C ATOM 777 CG TYR A 52 -3.980 3.724 5.913 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.455 4.774 6.688 1.00 0.00 C ATOM 779 CD2 TYR A 52 -4.774 3.268 4.868 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.684 5.352 6.430 1.00 0.00 C ATOM 781 CE2 TYR A 52 -6.003 3.841 4.604 1.00 0.00 C ATOM 782 CZ TYR A 52 -6.454 4.882 5.387 1.00 0.00 C ATOM 783 OH TYR A 52 -7.677 5.455 5.128 1.00 0.00 O ATOM 0 H TYR A 52 -4.415 0.836 6.692 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.678 1.609 7.419 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.962 3.859 6.590 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.203 2.741 5.261 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.855 5.145 7.505 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.425 2.452 4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.039 6.168 7.042 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.608 3.475 3.788 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.091 5.009 4.360 1.00 0.00 H new ATOM 793 N GLY A 53 -2.526 2.750 9.463 1.00 0.00 N ATOM 794 CA GLY A 53 -3.039 3.192 10.746 1.00 0.00 C ATOM 795 C GLY A 53 -3.280 2.040 11.702 1.00 0.00 C ATOM 796 O GLY A 53 -3.246 0.876 11.303 1.00 0.00 O ATOM 0 H GLY A 53 -1.509 2.754 9.385 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.333 3.891 11.195 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.972 3.735 10.593 1.00 0.00 H new ATOM 800 N PHE A 54 -3.527 2.364 12.967 1.00 0.00 N ATOM 801 CA PHE A 54 -3.780 1.347 13.982 1.00 0.00 C ATOM 802 C PHE A 54 -5.087 1.640 14.723 1.00 0.00 C ATOM 803 O PHE A 54 -5.220 2.687 15.355 1.00 0.00 O ATOM 804 CB PHE A 54 -2.615 1.283 14.972 1.00 0.00 C ATOM 805 CG PHE A 54 -1.734 0.084 14.772 1.00 0.00 C ATOM 806 CD1 PHE A 54 -1.111 -0.139 13.555 1.00 0.00 C ATOM 807 CD2 PHE A 54 -1.533 -0.825 15.800 1.00 0.00 C ATOM 808 CE1 PHE A 54 -0.304 -1.245 13.365 1.00 0.00 C ATOM 809 CE2 PHE A 54 -0.726 -1.932 15.616 1.00 0.00 C ATOM 810 CZ PHE A 54 -0.112 -2.142 14.397 1.00 0.00 C ATOM 0 H PHE A 54 -3.557 3.323 13.314 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.872 0.381 13.485 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.014 2.187 14.875 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.010 1.270 15.988 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.258 0.560 12.745 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.012 -0.666 16.755 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.176 -1.407 12.411 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.576 -2.632 16.425 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.518 -3.007 14.251 1.00 0.00 H new ATOM 820 N PRO A 55 -6.079 0.725 14.659 1.00 0.00 N ATOM 821 CA PRO A 55 -5.978 -0.543 13.918 1.00 0.00 C ATOM 822 C PRO A 55 -5.754 -0.332 12.423 1.00 0.00 C ATOM 823 O PRO A 55 -5.939 0.770 11.908 1.00 0.00 O ATOM 824 CB PRO A 55 -7.330 -1.222 14.165 1.00 0.00 C ATOM 825 CG PRO A 55 -8.244 -0.122 14.582 1.00 0.00 C ATOM 826 CD PRO A 55 -7.387 0.867 15.317 1.00 0.00 C ATOM 0 HA PRO A 55 -5.125 -1.134 14.252 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.693 -1.717 13.264 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.253 -1.985 14.939 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.720 0.340 13.717 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.042 -0.499 15.221 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.775 1.882 15.228 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.330 0.639 16.381 1.00 0.00 H new ATOM 834 N PRO A 56 -5.343 -1.393 11.706 1.00 0.00 N ATOM 835 CA PRO A 56 -5.085 -1.324 10.271 1.00 0.00 C ATOM 836 C PRO A 56 -6.359 -1.153 9.459 1.00 0.00 C ATOM 837 O PRO A 56 -7.409 -1.704 9.791 1.00 0.00 O ATOM 838 CB PRO A 56 -4.426 -2.665 9.955 1.00 0.00 C ATOM 839 CG PRO A 56 -4.916 -3.585 11.015 1.00 0.00 C ATOM 840 CD PRO A 56 -5.095 -2.740 12.245 1.00 0.00 C ATOM 0 HA PRO A 56 -4.467 -0.463 10.015 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.705 -3.019 8.963 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.339 -2.586 9.971 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.856 -4.052 10.722 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.202 -4.389 11.194 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.930 -3.089 12.853 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.208 -2.761 12.879 1.00 0.00 H new ATOM 848 N LYS A 57 -6.244 -0.384 8.393 1.00 0.00 N ATOM 849 CA LYS A 57 -7.367 -0.114 7.503 1.00 0.00 C ATOM 850 C LYS A 57 -7.284 -0.980 6.251 1.00 0.00 C ATOM 851 O LYS A 57 -6.323 -1.720 6.061 1.00 0.00 O ATOM 852 CB LYS A 57 -7.384 1.363 7.107 1.00 0.00 C ATOM 853 CG LYS A 57 -7.690 2.299 8.265 1.00 0.00 C ATOM 854 CD LYS A 57 -9.057 2.946 8.113 1.00 0.00 C ATOM 855 CE LYS A 57 -9.028 4.077 7.098 1.00 0.00 C ATOM 856 NZ LYS A 57 -10.389 4.617 6.828 1.00 0.00 N ATOM 0 H LYS A 57 -5.374 0.072 8.117 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.288 -0.355 8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.416 1.628 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.127 1.512 6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.651 1.744 9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.924 3.073 8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.784 2.195 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.388 3.330 9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.386 4.878 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.589 3.718 6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.325 5.386 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.995 3.859 6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.799 4.983 7.711 1.00 0.00 H new ATOM 870 N GLU A 58 -8.294 -0.877 5.397 1.00 0.00 N ATOM 871 CA GLU A 58 -8.332 -1.642 4.157 1.00 0.00 C ATOM 872 C GLU A 58 -8.363 -0.706 2.954 1.00 0.00 C ATOM 873 O GLU A 58 -9.399 -0.541 2.311 1.00 0.00 O ATOM 874 CB GLU A 58 -9.550 -2.567 4.135 1.00 0.00 C ATOM 875 CG GLU A 58 -9.401 -3.743 3.181 1.00 0.00 C ATOM 876 CD GLU A 58 -10.606 -4.663 3.199 1.00 0.00 C ATOM 877 OE1 GLU A 58 -11.334 -4.668 4.212 1.00 0.00 O ATOM 878 OE2 GLU A 58 -10.820 -5.378 2.197 1.00 0.00 O ATOM 0 H GLU A 58 -9.100 -0.269 5.541 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.430 -2.251 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.727 -2.946 5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.430 -1.989 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.249 -3.368 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.510 -4.312 3.447 1.00 0.00 H new ATOM 885 N LEU A 59 -7.216 -0.091 2.664 1.00 0.00 N ATOM 886 CA LEU A 59 -7.087 0.841 1.546 1.00 0.00 C ATOM 887 C LEU A 59 -7.722 0.286 0.275 1.00 0.00 C ATOM 888 O LEU A 59 -7.055 -0.344 -0.544 1.00 0.00 O ATOM 889 CB LEU A 59 -5.610 1.159 1.294 1.00 0.00 C ATOM 890 CG LEU A 59 -5.347 2.362 0.383 1.00 0.00 C ATOM 891 CD1 LEU A 59 -6.163 3.564 0.832 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.864 2.700 0.366 1.00 0.00 C ATOM 0 H LEU A 59 -6.355 -0.224 3.195 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.616 1.755 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.125 1.337 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.136 0.281 0.855 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.654 2.100 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.962 4.408 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.224 3.318 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.889 3.829 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.694 3.557 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.534 2.941 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.300 1.844 -0.005 1.00 0.00 H new ATOM 904 N MET A 60 -9.016 0.531 0.125 1.00 0.00 N ATOM 905 CA MET A 60 -9.757 0.065 -1.041 1.00 0.00 C ATOM 906 C MET A 60 -9.320 0.822 -2.297 1.00 0.00 C ATOM 907 O MET A 60 -8.660 1.857 -2.203 1.00 0.00 O ATOM 908 CB MET A 60 -11.263 0.237 -0.809 1.00 0.00 C ATOM 909 CG MET A 60 -11.741 1.679 -0.909 1.00 0.00 C ATOM 910 SD MET A 60 -12.894 1.939 -2.272 1.00 0.00 S ATOM 911 CE MET A 60 -14.336 2.530 -1.390 1.00 0.00 C ATOM 0 H MET A 60 -9.577 1.052 0.799 1.00 0.00 H new ATOM 0 HA MET A 60 -9.542 -0.993 -1.190 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.804 -0.366 -1.538 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.516 -0.152 0.177 1.00 0.00 H new ATOM 0 HG2 MET A 60 -12.222 1.964 0.027 1.00 0.00 H new ATOM 0 HG3 MET A 60 -10.880 2.335 -1.037 1.00 0.00 H new ATOM 0 HE1 MET A 60 -15.138 2.735 -2.099 1.00 0.00 H new ATOM 0 HE2 MET A 60 -14.665 1.771 -0.680 1.00 0.00 H new ATOM 0 HE3 MET A 60 -14.084 3.444 -0.852 1.00 0.00 H new ATOM 921 N PRO A 61 -9.675 0.315 -3.490 1.00 0.00 N ATOM 922 CA PRO A 61 -9.307 0.953 -4.755 1.00 0.00 C ATOM 923 C PRO A 61 -10.165 2.175 -5.063 1.00 0.00 C ATOM 924 O PRO A 61 -11.353 2.208 -4.742 1.00 0.00 O ATOM 925 CB PRO A 61 -9.546 -0.148 -5.785 1.00 0.00 C ATOM 926 CG PRO A 61 -10.623 -0.994 -5.197 1.00 0.00 C ATOM 927 CD PRO A 61 -10.459 -0.918 -3.701 1.00 0.00 C ATOM 0 HA PRO A 61 -8.284 1.328 -4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.850 0.268 -6.745 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.640 -0.728 -5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.607 -0.634 -5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.540 -2.024 -5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.424 -0.869 -3.196 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.939 -1.793 -3.311 1.00 0.00 H new ATOM 935 N PRO A 62 -9.569 3.204 -5.691 1.00 0.00 N ATOM 936 CA PRO A 62 -10.281 4.436 -6.039 1.00 0.00 C ATOM 937 C PRO A 62 -11.307 4.224 -7.145 1.00 0.00 C ATOM 938 O PRO A 62 -11.593 3.093 -7.536 1.00 0.00 O ATOM 939 CB PRO A 62 -9.167 5.367 -6.522 1.00 0.00 C ATOM 940 CG PRO A 62 -8.085 4.459 -6.990 1.00 0.00 C ATOM 941 CD PRO A 62 -8.153 3.246 -6.105 1.00 0.00 C ATOM 0 HA PRO A 62 -10.849 4.826 -5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.515 6.015 -7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.818 6.016 -5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.228 4.188 -8.036 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.111 4.942 -6.916 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.864 2.341 -6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.486 3.336 -5.248 1.00 0.00 H new ATOM 949 N GLN A 63 -11.859 5.325 -7.645 1.00 0.00 N ATOM 950 CA GLN A 63 -12.855 5.269 -8.707 1.00 0.00 C ATOM 951 C GLN A 63 -12.627 6.383 -9.725 1.00 0.00 C ATOM 952 O GLN A 63 -11.589 7.047 -9.710 1.00 0.00 O ATOM 953 CB GLN A 63 -14.264 5.372 -8.118 1.00 0.00 C ATOM 954 CG GLN A 63 -15.067 4.086 -8.235 1.00 0.00 C ATOM 955 CD GLN A 63 -15.654 3.641 -6.910 1.00 0.00 C ATOM 956 OE1 GLN A 63 -16.870 3.515 -6.767 1.00 0.00 O ATOM 957 NE2 GLN A 63 -14.789 3.400 -5.930 1.00 0.00 N ATOM 0 H GLN A 63 -11.632 6.268 -7.330 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.755 4.312 -9.219 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.190 5.650 -7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.802 6.174 -8.623 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.873 4.230 -8.955 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.426 3.297 -8.627 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.789 3.517 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.125 3.098 -5.016 1.00 0.00 H new ATOM 966 N ALA A 64 -13.601 6.584 -10.608 1.00 0.00 N ATOM 967 CA ALA A 64 -13.505 7.619 -11.631 1.00 0.00 C ATOM 968 C ALA A 64 -13.263 8.991 -11.010 1.00 0.00 C ATOM 969 O ALA A 64 -14.204 9.686 -10.627 1.00 0.00 O ATOM 970 CB ALA A 64 -14.768 7.639 -12.479 1.00 0.00 C ATOM 0 H ALA A 64 -14.466 6.043 -10.635 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.652 7.384 -12.268 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.684 8.416 -13.239 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.897 6.671 -12.963 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.630 7.845 -11.844 1.00 0.00 H new ATOM 976 N GLY A 65 -11.993 9.373 -10.912 1.00 0.00 N ATOM 977 CA GLY A 65 -11.647 10.660 -10.337 1.00 0.00 C ATOM 978 C GLY A 65 -10.561 10.551 -9.285 1.00 0.00 C ATOM 979 O GLY A 65 -9.802 11.495 -9.066 1.00 0.00 O ATOM 0 H GLY A 65 -11.198 8.814 -11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.315 11.331 -11.129 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.536 11.107 -9.892 1.00 0.00 H new ATOM 983 N MET A 66 -10.487 9.396 -8.631 1.00 0.00 N ATOM 984 CA MET A 66 -9.486 9.166 -7.596 1.00 0.00 C ATOM 985 C MET A 66 -8.370 8.256 -8.103 1.00 0.00 C ATOM 986 O MET A 66 -7.268 8.248 -7.555 1.00 0.00 O ATOM 987 CB MET A 66 -10.138 8.552 -6.355 1.00 0.00 C ATOM 988 CG MET A 66 -10.542 9.580 -5.310 1.00 0.00 C ATOM 989 SD MET A 66 -10.221 9.024 -3.625 1.00 0.00 S ATOM 990 CE MET A 66 -8.566 9.659 -3.369 1.00 0.00 C ATOM 0 H MET A 66 -11.108 8.605 -8.800 1.00 0.00 H new ATOM 0 HA MET A 66 -9.049 10.129 -7.331 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.020 7.989 -6.659 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.445 7.841 -5.905 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.000 10.508 -5.491 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.603 9.804 -5.418 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.030 9.009 -2.677 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.037 9.690 -4.321 1.00 0.00 H new ATOM 0 HE3 MET A 66 -8.623 10.665 -2.953 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.660 7.490 -9.153 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.677 6.578 -9.730 1.00 0.00 C ATOM 1002 C GLU A 67 -6.392 7.317 -10.092 1.00 0.00 C ATOM 1003 O GLU A 67 -5.305 6.741 -10.069 1.00 0.00 O ATOM 1004 CB GLU A 67 -8.254 5.897 -10.973 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.672 6.872 -12.061 1.00 0.00 C ATOM 1006 CD GLU A 67 -8.304 6.389 -13.450 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -8.761 5.294 -13.839 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -7.556 7.106 -14.148 1.00 0.00 O ATOM 0 H GLU A 67 -9.567 7.483 -9.620 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.439 5.820 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.512 5.210 -11.378 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.117 5.298 -10.682 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.749 7.029 -12.009 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.200 7.838 -11.879 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.526 8.598 -10.421 1.00 0.00 N ATOM 1016 CA LYS A 68 -5.377 9.420 -10.783 1.00 0.00 C ATOM 1017 C LYS A 68 -4.723 10.023 -9.542 1.00 0.00 C ATOM 1018 O LYS A 68 -3.564 10.438 -9.579 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.798 10.539 -11.739 1.00 0.00 C ATOM 1020 CG LYS A 68 -6.872 10.128 -12.737 1.00 0.00 C ATOM 1021 CD LYS A 68 -8.239 10.675 -12.351 1.00 0.00 C ATOM 1022 CE LYS A 68 -8.224 12.192 -12.232 1.00 0.00 C ATOM 1023 NZ LYS A 68 -8.247 12.637 -10.810 1.00 0.00 N ATOM 0 H LYS A 68 -7.420 9.089 -10.444 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.652 8.777 -11.282 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.163 11.384 -11.155 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.921 10.885 -12.286 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.603 10.488 -13.730 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.918 9.040 -12.794 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.975 10.376 -13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.551 10.238 -11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.333 12.586 -12.722 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.085 12.606 -12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.921 13.421 -10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.538 11.844 -10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.297 12.956 -10.531 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.474 10.070 -8.445 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.968 10.627 -7.196 1.00 0.00 C ATOM 1039 C GLU A 69 -4.020 9.645 -6.508 1.00 0.00 C ATOM 1040 O GLU A 69 -4.177 8.431 -6.628 1.00 0.00 O ATOM 1041 CB GLU A 69 -6.131 10.979 -6.265 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.382 12.473 -6.150 1.00 0.00 C ATOM 1043 CD GLU A 69 -7.301 12.822 -4.994 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -8.282 12.082 -4.771 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.037 13.835 -4.312 1.00 0.00 O ATOM 0 H GLU A 69 -6.434 9.729 -8.397 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.412 11.535 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.037 10.493 -6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.928 10.575 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.430 12.989 -6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.819 12.837 -7.080 1.00 0.00 H new ATOM 1052 N PRO A 70 -3.017 10.164 -5.779 1.00 0.00 N ATOM 1053 CA PRO A 70 -2.038 9.329 -5.077 1.00 0.00 C ATOM 1054 C PRO A 70 -2.615 8.665 -3.832 1.00 0.00 C ATOM 1055 O PRO A 70 -3.721 8.985 -3.396 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.941 10.321 -4.693 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.639 11.631 -4.578 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.754 11.604 -5.590 1.00 0.00 C ATOM 0 HA PRO A 70 -1.692 8.503 -5.698 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.466 10.042 -3.753 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.156 10.356 -5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.031 11.776 -3.571 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.954 12.456 -4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.638 12.129 -5.227 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.460 12.084 -6.524 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.851 7.736 -3.267 1.00 0.00 N ATOM 1067 CA VAL A 71 -2.268 7.012 -2.073 1.00 0.00 C ATOM 1068 C VAL A 71 -2.359 7.943 -0.865 1.00 0.00 C ATOM 1069 O VAL A 71 -1.816 9.047 -0.880 1.00 0.00 O ATOM 1070 CB VAL A 71 -1.298 5.859 -1.747 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.579 4.659 -2.637 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.148 6.312 -1.892 1.00 0.00 C ATOM 0 H VAL A 71 -0.933 7.466 -3.621 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.254 6.599 -2.284 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.456 5.561 -0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.885 3.855 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.601 4.318 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.452 4.943 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.815 5.482 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.325 6.641 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.341 7.138 -1.207 1.00 0.00 H new ATOM 1082 N PRO A 72 -3.049 7.504 0.206 1.00 0.00 N ATOM 1083 CA PRO A 72 -3.207 8.301 1.430 1.00 0.00 C ATOM 1084 C PRO A 72 -1.938 8.338 2.279 1.00 0.00 C ATOM 1085 O PRO A 72 -1.927 8.914 3.367 1.00 0.00 O ATOM 1086 CB PRO A 72 -4.310 7.555 2.179 1.00 0.00 C ATOM 1087 CG PRO A 72 -4.145 6.139 1.754 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.730 6.197 0.310 1.00 0.00 C ATOM 0 HA PRO A 72 -3.431 9.345 1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.202 7.662 3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.297 7.937 1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.392 5.633 2.358 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.075 5.583 1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.064 5.374 0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.589 6.136 -0.358 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.877 7.707 1.787 1.00 0.00 N ATOM 1097 CA LEU A 73 0.386 7.653 2.510 1.00 0.00 C ATOM 1098 C LEU A 73 1.397 8.642 1.937 1.00 0.00 C ATOM 1099 O LEU A 73 1.298 9.049 0.779 1.00 0.00 O ATOM 1100 CB LEU A 73 0.947 6.230 2.461 1.00 0.00 C ATOM 1101 CG LEU A 73 -0.113 5.128 2.351 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.518 3.813 1.931 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.859 4.972 3.667 1.00 0.00 C ATOM 0 H LEU A 73 -0.868 7.225 0.888 1.00 0.00 H new ATOM 0 HA LEU A 73 0.200 7.934 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.624 6.150 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.540 6.057 3.359 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.830 5.419 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.253 3.046 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.000 3.934 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.261 3.513 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.607 4.185 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.154 4.707 4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.351 5.911 3.920 1.00 0.00 H new ATOM 1115 N GLN A 74 2.366 9.030 2.763 1.00 0.00 N ATOM 1116 CA GLN A 74 3.395 9.977 2.350 1.00 0.00 C ATOM 1117 C GLN A 74 4.761 9.578 2.897 1.00 0.00 C ATOM 1118 O GLN A 74 4.897 8.568 3.587 1.00 0.00 O ATOM 1119 CB GLN A 74 3.042 11.385 2.827 1.00 0.00 C ATOM 1120 CG GLN A 74 1.872 12.007 2.082 1.00 0.00 C ATOM 1121 CD GLN A 74 2.187 12.282 0.625 1.00 0.00 C ATOM 1122 OE1 GLN A 74 3.240 12.832 0.299 1.00 0.00 O ATOM 1123 NE2 GLN A 74 1.275 11.901 -0.260 1.00 0.00 N ATOM 0 H GLN A 74 2.459 8.701 3.724 1.00 0.00 H new ATOM 0 HA GLN A 74 3.441 9.965 1.261 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.807 11.350 3.891 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.916 12.027 2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.011 11.341 2.144 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.589 12.939 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.417 11.449 0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.432 12.060 -1.255 1.00 0.00 H new ATOM 1132 N HIS A 75 5.770 10.382 2.582 1.00 0.00 N ATOM 1133 CA HIS A 75 7.132 10.126 3.036 1.00 0.00 C ATOM 1134 C HIS A 75 7.195 10.002 4.554 1.00 0.00 C ATOM 1135 O HIS A 75 7.052 10.990 5.275 1.00 0.00 O ATOM 1136 CB HIS A 75 8.060 11.248 2.567 1.00 0.00 C ATOM 1137 CG HIS A 75 9.508 10.869 2.565 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.034 9.896 3.388 1.00 0.00 N ATOM 1139 CD2 HIS A 75 10.545 11.339 1.833 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.332 9.785 3.164 1.00 0.00 C ATOM 1141 NE2 HIS A 75 11.667 10.649 2.225 1.00 0.00 N ATOM 0 H HIS A 75 5.669 11.221 2.011 1.00 0.00 H new ATOM 0 HA HIS A 75 7.459 9.180 2.604 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.771 11.550 1.560 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.921 12.116 3.212 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.499 12.113 1.081 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.004 9.103 3.664 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.606 10.783 1.851 1.00 0.00 H new ATOM 1150 N GLY A 76 7.417 8.783 5.034 1.00 0.00 N ATOM 1151 CA GLY A 76 7.505 8.552 6.463 1.00 0.00 C ATOM 1152 C GLY A 76 6.300 7.816 7.021 1.00 0.00 C ATOM 1153 O GLY A 76 6.141 7.718 8.237 1.00 0.00 O ATOM 0 H GLY A 76 7.538 7.950 4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.406 7.977 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.608 9.509 6.974 1.00 0.00 H new ATOM 1157 N ASP A 77 5.450 7.297 6.140 1.00 0.00 N ATOM 1158 CA ASP A 77 4.263 6.569 6.573 1.00 0.00 C ATOM 1159 C ASP A 77 4.555 5.076 6.693 1.00 0.00 C ATOM 1160 O ASP A 77 5.674 4.629 6.444 1.00 0.00 O ATOM 1161 CB ASP A 77 3.108 6.802 5.596 1.00 0.00 C ATOM 1162 CG ASP A 77 1.997 7.635 6.204 1.00 0.00 C ATOM 1163 OD1 ASP A 77 2.265 8.792 6.589 1.00 0.00 O ATOM 1164 OD2 ASP A 77 0.859 7.130 6.295 1.00 0.00 O ATOM 0 H ASP A 77 5.560 7.366 5.128 1.00 0.00 H new ATOM 0 HA ASP A 77 3.975 6.944 7.555 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.486 7.301 4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.705 5.840 5.278 1.00 0.00 H new ATOM 1169 N ARG A 78 3.538 4.310 7.071 1.00 0.00 N ATOM 1170 CA ARG A 78 3.678 2.866 7.219 1.00 0.00 C ATOM 1171 C ARG A 78 2.399 2.160 6.799 1.00 0.00 C ATOM 1172 O ARG A 78 1.303 2.702 6.945 1.00 0.00 O ATOM 1173 CB ARG A 78 4.029 2.507 8.664 1.00 0.00 C ATOM 1174 CG ARG A 78 3.141 3.189 9.693 1.00 0.00 C ATOM 1175 CD ARG A 78 3.860 4.343 10.372 1.00 0.00 C ATOM 1176 NE ARG A 78 3.208 4.735 11.620 1.00 0.00 N ATOM 1177 CZ ARG A 78 3.802 5.450 12.573 1.00 0.00 C ATOM 1178 NH1 ARG A 78 5.058 5.852 12.426 1.00 0.00 N ATOM 1179 NH2 ARG A 78 3.138 5.761 13.678 1.00 0.00 N ATOM 0 H ARG A 78 2.605 4.666 7.281 1.00 0.00 H new ATOM 0 HA ARG A 78 4.488 2.533 6.570 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.954 1.427 8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.067 2.778 8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.237 3.557 9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.827 2.463 10.443 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.892 4.058 10.576 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.893 5.198 9.696 1.00 0.00 H new ATOM 0 HE ARG A 78 2.242 4.444 11.769 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.574 5.613 11.579 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.507 6.400 13.160 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.173 5.452 13.797 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.592 6.309 14.409 1.00 0.00 H new ATOM 1193 N ILE A 79 2.543 0.954 6.266 1.00 0.00 N ATOM 1194 CA ILE A 79 1.394 0.186 5.813 1.00 0.00 C ATOM 1195 C ILE A 79 1.590 -1.305 6.046 1.00 0.00 C ATOM 1196 O ILE A 79 2.695 -1.764 6.335 1.00 0.00 O ATOM 1197 CB ILE A 79 1.121 0.416 4.315 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.434 0.598 3.548 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.212 1.617 4.119 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.251 0.702 2.049 1.00 0.00 C ATOM 0 H ILE A 79 3.442 0.489 6.138 1.00 0.00 H new ATOM 0 HA ILE A 79 0.542 0.533 6.397 1.00 0.00 H new ATOM 0 HB ILE A 79 0.616 -0.464 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.934 1.497 3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.093 -0.242 3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.029 1.765 3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.736 1.443 4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.689 2.506 4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.223 0.829 1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.780 -0.207 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.618 1.559 1.818 1.00 0.00 H new ATOM 1212 N THR A 80 0.506 -2.056 5.901 1.00 0.00 N ATOM 1213 CA THR A 80 0.544 -3.500 6.078 1.00 0.00 C ATOM 1214 C THR A 80 -0.190 -4.192 4.937 1.00 0.00 C ATOM 1215 O THR A 80 -1.327 -3.845 4.615 1.00 0.00 O ATOM 1216 CB THR A 80 -0.077 -3.899 7.414 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.588 -3.258 8.488 1.00 0.00 O ATOM 1218 CG2 THR A 80 -0.032 -5.391 7.669 1.00 0.00 C ATOM 0 H THR A 80 -0.414 -1.686 5.660 1.00 0.00 H new ATOM 0 HA THR A 80 1.587 -3.815 6.073 1.00 0.00 H new ATOM 0 HB THR A 80 -1.120 -3.587 7.355 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.174 -3.525 9.335 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.489 -5.609 8.634 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.579 -5.911 6.883 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.005 -5.728 7.674 1.00 0.00 H new ATOM 1226 N ILE A 81 0.468 -5.166 4.326 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.117 -5.904 3.217 1.00 0.00 C ATOM 1228 C ILE A 81 -0.638 -7.263 3.665 1.00 0.00 C ATOM 1229 O ILE A 81 -0.210 -7.799 4.686 1.00 0.00 O ATOM 1230 CB ILE A 81 0.904 -6.114 2.084 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.623 -4.802 1.766 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.215 -6.666 0.844 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.684 -3.671 1.408 1.00 0.00 C ATOM 0 H ILE A 81 1.410 -5.464 4.580 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.949 -5.304 2.848 1.00 0.00 H new ATOM 0 HB ILE A 81 1.647 -6.840 2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.222 -4.507 2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.313 -4.966 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.950 -6.809 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.252 -7.622 1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.548 -5.963 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.262 -2.772 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.102 -3.946 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.010 -3.479 2.243 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.560 -7.818 2.889 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.131 -9.123 3.200 1.00 0.00 C ATOM 1247 C GLU A 82 -2.293 -9.953 1.930 1.00 0.00 C ATOM 1248 O GLU A 82 -3.038 -9.581 1.024 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.481 -8.969 3.914 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.411 -10.164 3.749 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.721 -9.997 4.493 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -6.489 -9.075 4.144 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -5.980 -10.787 5.424 1.00 0.00 O ATOM 0 H GLU A 82 -1.928 -7.386 2.041 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.446 -9.643 3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.301 -8.806 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.981 -8.078 3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.617 -10.314 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.908 -11.062 4.106 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.593 -11.081 1.874 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.667 -11.965 0.719 1.00 0.00 C ATOM 1262 C ILE A 83 -3.068 -12.549 0.578 1.00 0.00 C ATOM 1263 O ILE A 83 -3.485 -13.392 1.372 1.00 0.00 O ATOM 1264 CB ILE A 83 -0.644 -13.116 0.815 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.782 -12.557 0.865 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -0.805 -14.068 -0.363 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.419 -12.636 2.236 1.00 0.00 C ATOM 0 H ILE A 83 -0.969 -11.403 2.614 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.431 -11.364 -0.159 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.829 -13.672 1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.402 -13.103 0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.766 -11.516 0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.076 -14.875 -0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.812 -14.486 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.642 -13.525 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.426 -12.222 2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.822 -12.066 2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.468 -13.677 2.555 1.00 0.00 H new ATOM 1279 N LEU A 84 -3.789 -12.090 -0.436 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.145 -12.560 -0.683 1.00 0.00 C ATOM 1281 C LEU A 84 -5.140 -13.957 -1.296 1.00 0.00 C ATOM 1282 O LEU A 84 -4.087 -14.483 -1.659 1.00 0.00 O ATOM 1283 CB LEU A 84 -5.880 -11.582 -1.600 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.797 -10.114 -1.173 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.708 -9.254 -2.034 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.154 -9.964 0.301 1.00 0.00 C ATOM 0 H LEU A 84 -3.457 -11.392 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.666 -12.614 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.475 -11.676 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.929 -11.872 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.771 -9.774 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.635 -8.214 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.405 -9.335 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.738 -9.595 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.089 -8.914 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.169 -10.323 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.459 -10.547 0.905 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.322 -14.553 -1.405 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.457 -15.889 -1.971 1.00 0.00 C ATOM 1300 C LYS A 85 -6.768 -15.816 -3.461 1.00 0.00 C ATOM 1301 O LYS A 85 -7.918 -15.630 -3.860 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.559 -16.664 -1.242 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.034 -17.793 -0.370 1.00 0.00 C ATOM 1304 CD LYS A 85 -7.017 -19.117 -1.119 1.00 0.00 C ATOM 1305 CE LYS A 85 -5.598 -19.620 -1.334 1.00 0.00 C ATOM 1306 NZ LYS A 85 -5.235 -20.691 -0.366 1.00 0.00 N ATOM 0 H LYS A 85 -7.202 -14.131 -1.108 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.510 -16.412 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.129 -15.972 -0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.250 -17.076 -1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.026 -17.553 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.656 -17.886 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.586 -19.860 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.511 -18.997 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.498 -20.001 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.900 -18.789 -1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.260 -21.006 -0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.305 -20.321 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.885 -21.495 -0.478 1.00 0.00 H new ATOM 1320 N GLY A 86 -5.733 -15.963 -4.275 1.00 0.00 N ATOM 1321 CA GLY A 86 -5.906 -15.912 -5.715 1.00 0.00 C ATOM 1322 C GLY A 86 -6.437 -17.212 -6.283 1.00 0.00 C ATOM 1323 O GLY A 86 -6.447 -18.222 -5.547 1.00 0.00 O ATOM 1324 OXT GLY A 86 -6.843 -17.221 -7.464 1.00 0.00 O ATOM 0 H GLY A 86 -4.774 -16.117 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.591 -15.103 -5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.950 -15.678 -6.184 1.00 0.00 H new