USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 640 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 2 HIS : no HE2:sc= 1.03 K(o=2.3,f=-6.7!) USER MOD Set 1.2: A 4 ASN : amide:sc= 1.3 K(o=2.3,f=1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 147:sc= 0.865 USER MOD Single : A 14 THR OG1 : rot 94:sc= 1.24 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0319 USER MOD Single : A 18 MET CE :methyl 174:sc= 0 (180deg=-0.0767) USER MOD Single : A 19 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.13) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 166:sc= -0.155 (180deg=-0.492) USER MOD Single : A 46 SER OG : rot 160:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.101 USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.0591 (180deg=-0.284) USER MOD Single : A 58 TYR OH : rot -88:sc= 0.208 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 173:sc= 1.34 USER MOD Single : A 74 THR OG1 : rot -6:sc= -0.44 USER MOD Single : A 76 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.02) USER MOD Single : A 86 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.15) USER MOD Single : A 88 SER OG : rot 170:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0175 X(o=-0.017,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.0062) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.870 15.931 -10.293 1.00 64.54 N ATOM 2 CA GLY A 1 -18.713 15.720 -9.109 1.00 10.33 C ATOM 3 C GLY A 1 -17.940 15.637 -7.803 1.00 23.13 C ATOM 4 O GLY A 1 -18.566 15.789 -6.751 1.00 64.41 O ATOM 0 H1 GLY A 1 -18.469 15.976 -11.142 1.00 64.54 H new ATOM 0 H2 GLY A 1 -17.345 16.823 -10.191 1.00 64.54 H new ATOM 0 H3 GLY A 1 -17.198 15.143 -10.385 1.00 64.54 H new ATOM 0 HA2 GLY A 1 -19.435 16.534 -9.040 1.00 10.33 H new ATOM 0 HA3 GLY A 1 -19.282 14.800 -9.241 1.00 10.33 H new ATOM 8 N HIS A 2 -16.627 15.382 -7.827 1.00 13.44 N ATOM 9 CA HIS A 2 -15.729 15.559 -6.700 1.00 42.41 C ATOM 10 C HIS A 2 -14.341 15.703 -7.320 1.00 43.11 C ATOM 11 O HIS A 2 -13.804 14.734 -7.857 1.00 3.32 O ATOM 12 CB HIS A 2 -15.832 14.387 -5.708 1.00 70.35 C ATOM 13 CG HIS A 2 -16.423 14.782 -4.381 1.00 44.45 C ATOM 14 ND1 HIS A 2 -16.071 15.878 -3.625 1.00 50.43 N ATOM 15 CD2 HIS A 2 -17.416 14.123 -3.716 1.00 33.50 C ATOM 16 CE1 HIS A 2 -16.866 15.914 -2.549 1.00 14.13 C ATOM 17 NE2 HIS A 2 -17.670 14.834 -2.535 1.00 42.31 N ATOM 0 H HIS A 2 -16.154 15.036 -8.662 1.00 13.44 H new ATOM 0 HA HIS A 2 -15.977 16.436 -6.102 1.00 42.41 H new ATOM 0 HB2 HIS A 2 -16.442 13.599 -6.149 1.00 70.35 H new ATOM 0 HB3 HIS A 2 -14.839 13.969 -5.546 1.00 70.35 H new ATOM 0 HD1 HIS A 2 -15.333 16.546 -3.847 1.00 50.43 H new ATOM 0 HD2 HIS A 2 -17.914 13.221 -4.040 1.00 33.50 H new ATOM 0 HE1 HIS A 2 -16.863 16.694 -1.802 1.00 14.13 H new ATOM 24 N MET A 3 -13.847 16.939 -7.352 1.00 53.15 N ATOM 25 CA MET A 3 -12.605 17.358 -7.984 1.00 2.11 C ATOM 26 C MET A 3 -11.993 18.393 -7.041 1.00 61.34 C ATOM 27 O MET A 3 -12.163 19.599 -7.236 1.00 23.53 O ATOM 28 CB MET A 3 -12.923 17.869 -9.408 1.00 31.34 C ATOM 29 CG MET A 3 -11.781 18.620 -10.104 1.00 63.51 C ATOM 30 SD MET A 3 -11.831 18.578 -11.918 1.00 1.33 S ATOM 31 CE MET A 3 -13.277 19.621 -12.242 1.00 51.22 C ATOM 0 H MET A 3 -14.335 17.718 -6.910 1.00 53.15 H new ATOM 0 HA MET A 3 -11.876 16.561 -8.128 1.00 2.11 H new ATOM 0 HB2 MET A 3 -13.207 17.018 -10.027 1.00 31.34 H new ATOM 0 HB3 MET A 3 -13.790 18.528 -9.355 1.00 31.34 H new ATOM 0 HG2 MET A 3 -11.799 19.660 -9.779 1.00 63.51 H new ATOM 0 HG3 MET A 3 -10.833 18.198 -9.771 1.00 63.51 H new ATOM 0 HE1 MET A 3 -13.440 19.693 -13.317 1.00 51.22 H new ATOM 0 HE2 MET A 3 -14.156 19.181 -11.771 1.00 51.22 H new ATOM 0 HE3 MET A 3 -13.106 20.617 -11.833 1.00 51.22 H new ATOM 39 N ASN A 4 -11.382 17.928 -5.948 1.00 14.41 N ATOM 40 CA ASN A 4 -10.911 18.782 -4.857 1.00 71.21 C ATOM 41 C ASN A 4 -9.685 18.202 -4.133 1.00 43.31 C ATOM 42 O ASN A 4 -9.597 18.291 -2.903 1.00 11.24 O ATOM 43 CB ASN A 4 -12.067 19.119 -3.893 1.00 50.35 C ATOM 44 CG ASN A 4 -12.835 17.905 -3.401 1.00 70.44 C ATOM 45 OD1 ASN A 4 -13.972 17.704 -3.821 1.00 51.45 O ATOM 46 ND2 ASN A 4 -12.255 17.074 -2.556 1.00 53.01 N ATOM 0 H ASN A 4 -11.199 16.936 -5.795 1.00 14.41 H new ATOM 0 HA ASN A 4 -10.566 19.717 -5.298 1.00 71.21 H new ATOM 0 HB2 ASN A 4 -11.665 19.655 -3.033 1.00 50.35 H new ATOM 0 HB3 ASN A 4 -12.759 19.795 -4.395 1.00 50.35 H new ATOM 0 HD21 ASN A 4 -12.752 16.242 -2.237 1.00 53.01 H new ATOM 0 HD22 ASN A 4 -11.310 17.263 -2.222 1.00 53.01 H new ATOM 52 N LEU A 5 -8.742 17.609 -4.873 1.00 4.41 N ATOM 53 CA LEU A 5 -7.524 17.000 -4.329 1.00 34.11 C ATOM 54 C LEU A 5 -6.726 17.994 -3.461 1.00 43.43 C ATOM 55 O LEU A 5 -6.558 19.159 -3.853 1.00 35.22 O ATOM 56 CB LEU A 5 -6.652 16.458 -5.475 1.00 4.04 C ATOM 57 CG LEU A 5 -5.673 15.355 -5.034 1.00 53.05 C ATOM 58 CD1 LEU A 5 -6.372 13.997 -4.928 1.00 23.22 C ATOM 59 CD2 LEU A 5 -4.509 15.246 -6.027 1.00 75.51 C ATOM 0 H LEU A 5 -8.806 17.538 -5.888 1.00 4.41 H new ATOM 0 HA LEU A 5 -7.820 16.173 -3.683 1.00 34.11 H new ATOM 0 HB2 LEU A 5 -7.300 16.066 -6.259 1.00 4.04 H new ATOM 0 HB3 LEU A 5 -6.086 17.281 -5.911 1.00 4.04 H new ATOM 0 HG LEU A 5 -5.293 15.630 -4.050 1.00 53.05 H new ATOM 0 HD11 LEU A 5 -5.652 13.241 -4.615 1.00 23.22 H new ATOM 0 HD12 LEU A 5 -7.177 14.058 -4.195 1.00 23.22 H new ATOM 0 HD13 LEU A 5 -6.786 13.724 -5.899 1.00 23.22 H new ATOM 0 HD21 LEU A 5 -3.825 14.462 -5.702 1.00 75.51 H new ATOM 0 HD22 LEU A 5 -4.896 15.002 -7.016 1.00 75.51 H new ATOM 0 HD23 LEU A 5 -3.977 16.196 -6.070 1.00 75.51 H new ATOM 70 N THR A 6 -6.199 17.567 -2.311 1.00 54.32 N ATOM 71 CA THR A 6 -5.260 18.397 -1.544 1.00 24.52 C ATOM 72 C THR A 6 -3.866 18.250 -2.192 1.00 64.45 C ATOM 73 O THR A 6 -3.623 17.261 -2.891 1.00 52.32 O ATOM 74 CB THR A 6 -5.343 18.098 -0.019 1.00 33.41 C ATOM 75 OG1 THR A 6 -4.172 18.521 0.629 1.00 71.35 O ATOM 76 CG2 THR A 6 -5.542 16.641 0.390 1.00 53.44 C ATOM 0 H THR A 6 -6.403 16.660 -1.891 1.00 54.32 H new ATOM 0 HA THR A 6 -5.521 19.454 -1.592 1.00 24.52 H new ATOM 0 HB THR A 6 -6.239 18.644 0.277 1.00 33.41 H new ATOM 0 HG1 THR A 6 -4.391 18.829 1.533 1.00 71.35 H new ATOM 0 HG21 THR A 6 -5.583 16.571 1.477 1.00 53.44 H new ATOM 0 HG22 THR A 6 -6.475 16.268 -0.033 1.00 53.44 H new ATOM 0 HG23 THR A 6 -4.711 16.042 0.019 1.00 53.44 H new ATOM 84 N PRO A 7 -2.921 19.195 -2.007 1.00 71.14 N ATOM 85 CA PRO A 7 -1.532 18.950 -2.377 1.00 13.34 C ATOM 86 C PRO A 7 -0.931 17.811 -1.544 1.00 62.32 C ATOM 87 O PRO A 7 -0.060 17.104 -2.048 1.00 1.21 O ATOM 88 CB PRO A 7 -0.796 20.271 -2.153 1.00 20.42 C ATOM 89 CG PRO A 7 -1.627 20.966 -1.079 1.00 63.31 C ATOM 90 CD PRO A 7 -3.054 20.509 -1.389 1.00 63.54 C ATOM 0 HA PRO A 7 -1.445 18.631 -3.416 1.00 13.34 H new ATOM 0 HB2 PRO A 7 0.230 20.108 -1.823 1.00 20.42 H new ATOM 0 HB3 PRO A 7 -0.746 20.863 -3.067 1.00 20.42 H new ATOM 0 HG2 PRO A 7 -1.318 20.669 -0.077 1.00 63.31 H new ATOM 0 HG3 PRO A 7 -1.531 22.050 -1.134 1.00 63.31 H new ATOM 0 HD2 PRO A 7 -3.654 20.456 -0.481 1.00 63.54 H new ATOM 0 HD3 PRO A 7 -3.552 21.209 -2.060 1.00 63.54 H new ATOM 95 N GLU A 8 -1.431 17.596 -0.321 1.00 64.32 N ATOM 96 CA GLU A 8 -0.955 16.571 0.597 1.00 12.23 C ATOM 97 C GLU A 8 -1.072 15.209 -0.073 1.00 4.03 C ATOM 98 O GLU A 8 -0.098 14.475 -0.120 1.00 3.21 O ATOM 99 CB GLU A 8 -1.779 16.577 1.891 1.00 14.01 C ATOM 100 CG GLU A 8 -1.713 17.894 2.674 1.00 13.04 C ATOM 101 CD GLU A 8 -2.929 17.990 3.587 1.00 62.44 C ATOM 102 OE1 GLU A 8 -2.934 17.357 4.670 1.00 33.12 O ATOM 103 OE2 GLU A 8 -3.920 18.656 3.210 1.00 64.44 O ATOM 0 H GLU A 8 -2.198 18.149 0.061 1.00 64.32 H new ATOM 0 HA GLU A 8 0.085 16.778 0.848 1.00 12.23 H new ATOM 0 HB2 GLU A 8 -2.820 16.365 1.646 1.00 14.01 H new ATOM 0 HB3 GLU A 8 -1.431 15.768 2.533 1.00 14.01 H new ATOM 0 HG2 GLU A 8 -0.796 17.937 3.262 1.00 13.04 H new ATOM 0 HG3 GLU A 8 -1.690 18.740 1.987 1.00 13.04 H new ATOM 108 N GLU A 9 -2.237 14.901 -0.652 1.00 63.34 N ATOM 109 CA GLU A 9 -2.518 13.660 -1.368 1.00 21.51 C ATOM 110 C GLU A 9 -1.431 13.382 -2.415 1.00 34.24 C ATOM 111 O GLU A 9 -0.979 12.240 -2.562 1.00 61.51 O ATOM 112 CB GLU A 9 -3.910 13.792 -2.023 1.00 64.45 C ATOM 113 CG GLU A 9 -5.089 13.467 -1.091 1.00 14.30 C ATOM 114 CD GLU A 9 -5.973 12.329 -1.603 1.00 35.34 C ATOM 115 OE1 GLU A 9 -5.446 11.235 -1.893 1.00 32.41 O ATOM 116 OE2 GLU A 9 -7.219 12.484 -1.637 1.00 71.13 O ATOM 0 H GLU A 9 -3.037 15.534 -0.632 1.00 63.34 H new ATOM 0 HA GLU A 9 -2.517 12.816 -0.679 1.00 21.51 H new ATOM 0 HB2 GLU A 9 -4.027 14.810 -2.394 1.00 64.45 H new ATOM 0 HB3 GLU A 9 -3.954 13.130 -2.888 1.00 64.45 H new ATOM 0 HG2 GLU A 9 -4.702 13.202 -0.107 1.00 14.30 H new ATOM 0 HG3 GLU A 9 -5.699 14.361 -0.963 1.00 14.30 H new ATOM 121 N ARG A 10 -1.017 14.427 -3.140 1.00 20.41 N ATOM 122 CA ARG A 10 -0.063 14.324 -4.238 1.00 24.34 C ATOM 123 C ARG A 10 1.392 14.212 -3.774 1.00 24.23 C ATOM 124 O ARG A 10 2.208 13.728 -4.561 1.00 15.20 O ATOM 125 CB ARG A 10 -0.295 15.489 -5.211 1.00 75.35 C ATOM 126 CG ARG A 10 0.541 15.347 -6.494 1.00 62.22 C ATOM 127 CD ARG A 10 0.056 16.308 -7.581 1.00 13.22 C ATOM 128 NE ARG A 10 -0.677 15.628 -8.671 1.00 15.02 N ATOM 129 CZ ARG A 10 -1.509 16.206 -9.546 1.00 60.11 C ATOM 130 NH1 ARG A 10 -1.795 17.497 -9.460 1.00 24.41 N ATOM 131 NH2 ARG A 10 -2.057 15.483 -10.511 1.00 53.14 N ATOM 0 H ARG A 10 -1.343 15.379 -2.974 1.00 20.41 H new ATOM 0 HA ARG A 10 -0.243 13.385 -4.762 1.00 24.34 H new ATOM 0 HB2 ARG A 10 -1.352 15.538 -5.471 1.00 75.35 H new ATOM 0 HB3 ARG A 10 -0.044 16.428 -4.718 1.00 75.35 H new ATOM 0 HG2 ARG A 10 1.589 15.545 -6.271 1.00 62.22 H new ATOM 0 HG3 ARG A 10 0.481 14.322 -6.859 1.00 62.22 H new ATOM 0 HD2 ARG A 10 -0.591 17.060 -7.130 1.00 13.22 H new ATOM 0 HD3 ARG A 10 0.913 16.835 -8.001 1.00 13.22 H new ATOM 0 HE ARG A 10 -0.535 14.622 -8.765 1.00 15.02 H new ATOM 0 HH11 ARG A 10 -1.379 18.063 -8.720 1.00 24.41 H new ATOM 0 HH12 ARG A 10 -2.431 17.925 -10.134 1.00 24.41 H new ATOM 0 HH21 ARG A 10 -1.845 14.488 -10.586 1.00 53.14 H new ATOM 0 HH22 ARG A 10 -2.691 15.921 -11.179 1.00 53.14 H new ATOM 142 N ASP A 11 1.716 14.626 -2.551 1.00 3.20 N ATOM 143 CA ASP A 11 3.012 14.373 -1.901 1.00 43.13 C ATOM 144 C ASP A 11 2.990 13.024 -1.155 1.00 73.15 C ATOM 145 O ASP A 11 4.024 12.392 -0.939 1.00 73.53 O ATOM 146 CB ASP A 11 3.327 15.524 -0.929 1.00 54.35 C ATOM 147 CG ASP A 11 4.832 15.743 -0.706 1.00 42.12 C ATOM 148 OD1 ASP A 11 5.481 14.952 0.010 1.00 15.42 O ATOM 149 OD2 ASP A 11 5.401 16.758 -1.188 1.00 3.00 O ATOM 0 H ASP A 11 1.073 15.160 -1.966 1.00 3.20 H new ATOM 0 HA ASP A 11 3.791 14.323 -2.662 1.00 43.13 H new ATOM 0 HB2 ASP A 11 2.887 16.444 -1.313 1.00 54.35 H new ATOM 0 HB3 ASP A 11 2.851 15.319 0.030 1.00 54.35 H new ATOM 153 N ALA A 12 1.804 12.569 -0.747 1.00 11.14 N ATOM 154 CA ALA A 12 1.587 11.395 0.091 1.00 40.34 C ATOM 155 C ALA A 12 1.735 10.085 -0.702 1.00 63.34 C ATOM 156 O ALA A 12 2.454 9.198 -0.242 1.00 31.21 O ATOM 157 CB ALA A 12 0.236 11.514 0.806 1.00 15.21 C ATOM 0 H ALA A 12 0.932 13.031 -1.005 1.00 11.14 H new ATOM 0 HA ALA A 12 2.365 11.357 0.854 1.00 40.34 H new ATOM 0 HB1 ALA A 12 0.077 10.636 1.431 1.00 15.21 H new ATOM 0 HB2 ALA A 12 0.232 12.408 1.429 1.00 15.21 H new ATOM 0 HB3 ALA A 12 -0.562 11.583 0.067 1.00 15.21 H new ATOM 163 N ARG A 13 1.094 9.968 -1.878 1.00 21.14 N ATOM 164 CA ARG A 13 1.316 8.986 -2.969 1.00 11.20 C ATOM 165 C ARG A 13 1.268 7.489 -2.636 1.00 34.21 C ATOM 166 O ARG A 13 1.531 6.668 -3.520 1.00 1.03 O ATOM 167 CB ARG A 13 2.643 9.317 -3.686 1.00 24.34 C ATOM 168 CG ARG A 13 2.475 10.502 -4.629 1.00 61.31 C ATOM 169 CD ARG A 13 3.779 10.799 -5.371 1.00 53.05 C ATOM 170 NE ARG A 13 3.576 11.821 -6.404 1.00 15.10 N ATOM 171 CZ ARG A 13 4.452 12.146 -7.362 1.00 34.31 C ATOM 172 NH1 ARG A 13 5.707 11.715 -7.329 1.00 75.03 N ATOM 173 NH2 ARG A 13 4.062 12.902 -8.381 1.00 31.13 N ATOM 0 H ARG A 13 0.340 10.612 -2.116 1.00 21.14 H new ATOM 0 HA ARG A 13 0.437 9.115 -3.601 1.00 11.20 H new ATOM 0 HB2 ARG A 13 3.413 9.542 -2.948 1.00 24.34 H new ATOM 0 HB3 ARG A 13 2.984 8.447 -4.247 1.00 24.34 H new ATOM 0 HG2 ARG A 13 1.683 10.290 -5.348 1.00 61.31 H new ATOM 0 HG3 ARG A 13 2.166 11.381 -4.063 1.00 61.31 H new ATOM 0 HD2 ARG A 13 4.535 11.138 -4.663 1.00 53.05 H new ATOM 0 HD3 ARG A 13 4.157 9.885 -5.828 1.00 53.05 H new ATOM 0 HE ARG A 13 2.691 12.327 -6.391 1.00 15.10 H new ATOM 0 HH11 ARG A 13 6.023 11.122 -6.561 1.00 75.03 H new ATOM 0 HH12 ARG A 13 6.356 11.977 -8.071 1.00 75.03 H new ATOM 0 HH21 ARG A 13 3.098 13.233 -8.431 1.00 31.13 H new ATOM 0 HH22 ARG A 13 4.726 13.152 -9.114 1.00 31.13 H new ATOM 184 N THR A 14 0.949 7.094 -1.418 1.00 22.31 N ATOM 185 CA THR A 14 1.283 5.761 -0.921 1.00 54.14 C ATOM 186 C THR A 14 -0.004 4.976 -0.659 1.00 2.33 C ATOM 187 O THR A 14 -1.081 5.551 -0.501 1.00 23.14 O ATOM 188 CB THR A 14 2.197 5.968 0.296 1.00 1.24 C ATOM 189 OG1 THR A 14 3.353 6.673 -0.118 1.00 52.04 O ATOM 190 CG2 THR A 14 2.688 4.739 1.056 1.00 42.43 C ATOM 0 H THR A 14 0.454 7.679 -0.745 1.00 22.31 H new ATOM 0 HA THR A 14 1.829 5.147 -1.638 1.00 54.14 H new ATOM 0 HB THR A 14 1.549 6.495 0.996 1.00 1.24 H new ATOM 0 HG1 THR A 14 3.220 7.633 0.027 1.00 52.04 H new ATOM 0 HG21 THR A 14 3.321 5.053 1.886 1.00 42.43 H new ATOM 0 HG22 THR A 14 1.833 4.184 1.442 1.00 42.43 H new ATOM 0 HG23 THR A 14 3.261 4.100 0.384 1.00 42.43 H new ATOM 198 N VAL A 15 0.099 3.651 -0.604 1.00 75.22 N ATOM 199 CA VAL A 15 -0.994 2.725 -0.347 1.00 64.41 C ATOM 200 C VAL A 15 -0.522 1.788 0.777 1.00 2.22 C ATOM 201 O VAL A 15 0.651 1.842 1.160 1.00 51.04 O ATOM 202 CB VAL A 15 -1.453 2.066 -1.675 1.00 13.43 C ATOM 203 CG1 VAL A 15 -2.166 3.106 -2.552 1.00 71.32 C ATOM 204 CG2 VAL A 15 -0.320 1.464 -2.528 1.00 35.34 C ATOM 0 H VAL A 15 0.990 3.174 -0.744 1.00 75.22 H new ATOM 0 HA VAL A 15 -1.906 3.201 0.013 1.00 64.41 H new ATOM 0 HB VAL A 15 -2.105 1.249 -1.366 1.00 13.43 H new ATOM 0 HG11 VAL A 15 -2.486 2.639 -3.483 1.00 71.32 H new ATOM 0 HG12 VAL A 15 -3.036 3.493 -2.022 1.00 71.32 H new ATOM 0 HG13 VAL A 15 -1.482 3.925 -2.774 1.00 71.32 H new ATOM 0 HG21 VAL A 15 -0.740 1.027 -3.434 1.00 35.34 H new ATOM 0 HG22 VAL A 15 0.389 2.247 -2.797 1.00 35.34 H new ATOM 0 HG23 VAL A 15 0.194 0.691 -1.957 1.00 35.34 H new ATOM 214 N PHE A 16 -1.423 1.014 1.389 1.00 1.13 N ATOM 215 CA PHE A 16 -1.185 0.303 2.638 1.00 12.32 C ATOM 216 C PHE A 16 -1.775 -1.107 2.579 1.00 1.14 C ATOM 217 O PHE A 16 -2.991 -1.307 2.601 1.00 62.41 O ATOM 218 CB PHE A 16 -1.745 1.104 3.822 1.00 41.31 C ATOM 219 CG PHE A 16 -1.606 0.444 5.184 1.00 75.34 C ATOM 220 CD1 PHE A 16 -0.529 -0.421 5.458 1.00 62.42 C ATOM 221 CD2 PHE A 16 -2.581 0.665 6.177 1.00 71.11 C ATOM 222 CE1 PHE A 16 -0.476 -1.124 6.666 1.00 42.02 C ATOM 223 CE2 PHE A 16 -2.521 -0.033 7.399 1.00 15.00 C ATOM 224 CZ PHE A 16 -1.481 -0.954 7.627 1.00 40.03 C ATOM 0 H PHE A 16 -2.360 0.864 1.016 1.00 1.13 H new ATOM 0 HA PHE A 16 -0.110 0.199 2.785 1.00 12.32 H new ATOM 0 HB2 PHE A 16 -1.243 2.071 3.854 1.00 41.31 H new ATOM 0 HB3 PHE A 16 -2.802 1.299 3.639 1.00 41.31 H new ATOM 0 HD1 PHE A 16 0.261 -0.542 4.731 1.00 62.42 H new ATOM 0 HD2 PHE A 16 -3.378 1.373 6.000 1.00 71.11 H new ATOM 0 HE1 PHE A 16 0.343 -1.801 6.859 1.00 42.02 H new ATOM 0 HE2 PHE A 16 -3.270 0.138 8.158 1.00 15.00 H new ATOM 0 HZ PHE A 16 -1.458 -1.529 8.541 1.00 40.03 H new ATOM 233 N CYS A 17 -0.899 -2.098 2.498 1.00 4.00 N ATOM 234 CA CYS A 17 -1.201 -3.503 2.633 1.00 15.31 C ATOM 235 C CYS A 17 -1.320 -3.818 4.121 1.00 4.34 C ATOM 236 O CYS A 17 -0.356 -3.598 4.856 1.00 24.23 O ATOM 237 CB CYS A 17 -0.043 -4.331 2.050 1.00 14.02 C ATOM 238 SG CYS A 17 0.442 -3.854 0.370 1.00 43.15 S ATOM 0 H CYS A 17 0.092 -1.927 2.327 1.00 4.00 H new ATOM 0 HA CYS A 17 -2.125 -3.742 2.107 1.00 15.31 H new ATOM 0 HB2 CYS A 17 0.822 -4.237 2.706 1.00 14.02 H new ATOM 0 HB3 CYS A 17 -0.329 -5.383 2.048 1.00 14.02 H new ATOM 0 HG CYS A 17 1.424 -4.607 -0.029 1.00 43.15 H new ATOM 243 N MET A 18 -2.443 -4.401 4.559 1.00 34.13 N ATOM 244 CA MET A 18 -2.624 -4.810 5.957 1.00 11.13 C ATOM 245 C MET A 18 -3.289 -6.191 6.086 1.00 11.14 C ATOM 246 O MET A 18 -3.973 -6.484 7.063 1.00 12.14 O ATOM 247 CB MET A 18 -3.422 -3.697 6.671 1.00 23.33 C ATOM 248 CG MET A 18 -3.547 -3.816 8.203 1.00 33.23 C ATOM 249 SD MET A 18 -5.235 -4.083 8.837 1.00 51.05 S ATOM 250 CE MET A 18 -5.985 -2.471 8.474 1.00 11.43 C ATOM 0 H MET A 18 -3.245 -4.601 3.961 1.00 34.13 H new ATOM 0 HA MET A 18 -1.652 -4.929 6.435 1.00 11.13 H new ATOM 0 HB2 MET A 18 -2.954 -2.740 6.440 1.00 23.33 H new ATOM 0 HB3 MET A 18 -4.426 -3.672 6.248 1.00 23.33 H new ATOM 0 HG2 MET A 18 -2.918 -4.641 8.538 1.00 33.23 H new ATOM 0 HG3 MET A 18 -3.148 -2.907 8.654 1.00 33.23 H new ATOM 0 HE1 MET A 18 -7.050 -2.505 8.704 1.00 11.43 H new ATOM 0 HE2 MET A 18 -5.507 -1.702 9.081 1.00 11.43 H new ATOM 0 HE3 MET A 18 -5.849 -2.236 7.418 1.00 11.43 H new ATOM 258 N GLN A 19 -3.113 -7.063 5.094 1.00 11.21 N ATOM 259 CA GLN A 19 -3.724 -8.393 5.080 1.00 3.14 C ATOM 260 C GLN A 19 -2.743 -9.419 4.488 1.00 4.24 C ATOM 261 O GLN A 19 -3.072 -10.186 3.587 1.00 41.13 O ATOM 262 CB GLN A 19 -5.104 -8.270 4.398 1.00 34.24 C ATOM 263 CG GLN A 19 -6.055 -9.412 4.778 1.00 11.33 C ATOM 264 CD GLN A 19 -7.500 -9.216 4.302 1.00 65.21 C ATOM 265 OE1 GLN A 19 -8.445 -9.535 5.022 1.00 24.24 O ATOM 266 NE2 GLN A 19 -7.731 -8.661 3.123 1.00 70.45 N ATOM 0 H GLN A 19 -2.540 -6.867 4.273 1.00 11.21 H new ATOM 0 HA GLN A 19 -3.921 -8.785 6.078 1.00 3.14 H new ATOM 0 HB2 GLN A 19 -5.558 -7.318 4.674 1.00 34.24 H new ATOM 0 HB3 GLN A 19 -4.971 -8.258 3.316 1.00 34.24 H new ATOM 0 HG2 GLN A 19 -5.671 -10.343 4.361 1.00 11.33 H new ATOM 0 HG3 GLN A 19 -6.054 -9.524 5.862 1.00 11.33 H new ATOM 0 HE21 GLN A 19 -6.950 -8.395 2.523 1.00 70.45 H new ATOM 0 HE22 GLN A 19 -8.690 -8.499 2.815 1.00 70.45 H new ATOM 273 N LEU A 20 -1.488 -9.371 4.947 1.00 23.30 N ATOM 274 CA LEU A 20 -0.351 -10.055 4.351 1.00 12.03 C ATOM 275 C LEU A 20 -0.139 -11.451 4.921 1.00 62.31 C ATOM 276 O LEU A 20 -0.947 -11.960 5.698 1.00 13.03 O ATOM 277 CB LEU A 20 0.925 -9.189 4.420 1.00 52.24 C ATOM 278 CG LEU A 20 0.727 -7.785 3.822 1.00 13.41 C ATOM 279 CD1 LEU A 20 0.174 -6.809 4.814 1.00 31.44 C ATOM 280 CD2 LEU A 20 2.023 -7.231 3.249 1.00 2.30 C ATOM 0 H LEU A 20 -1.234 -8.833 5.775 1.00 23.30 H new ATOM 0 HA LEU A 20 -0.585 -10.201 3.296 1.00 12.03 H new ATOM 0 HB2 LEU A 20 1.239 -9.095 5.460 1.00 52.24 H new ATOM 0 HB3 LEU A 20 1.731 -9.695 3.888 1.00 52.24 H new ATOM 0 HG LEU A 20 -0.000 -7.908 3.019 1.00 13.41 H new ATOM 0 HD11 LEU A 20 0.055 -5.835 4.339 1.00 31.44 H new ATOM 0 HD12 LEU A 20 -0.795 -7.161 5.169 1.00 31.44 H new ATOM 0 HD13 LEU A 20 0.859 -6.720 5.657 1.00 31.44 H new ATOM 0 HD21 LEU A 20 1.843 -6.238 2.836 1.00 2.30 H new ATOM 0 HD22 LEU A 20 2.771 -7.165 4.039 1.00 2.30 H new ATOM 0 HD23 LEU A 20 2.384 -7.892 2.461 1.00 2.30 H new ATOM 291 N ALA A 21 0.962 -12.067 4.501 1.00 43.14 N ATOM 292 CA ALA A 21 1.389 -13.418 4.828 1.00 54.44 C ATOM 293 C ALA A 21 2.744 -13.373 5.533 1.00 42.42 C ATOM 294 O ALA A 21 3.481 -12.390 5.419 1.00 2.43 O ATOM 295 CB ALA A 21 1.485 -14.241 3.536 1.00 61.11 C ATOM 0 H ALA A 21 1.623 -11.600 3.880 1.00 43.14 H new ATOM 0 HA ALA A 21 0.665 -13.884 5.496 1.00 54.44 H new ATOM 0 HB1 ALA A 21 1.805 -15.256 3.774 1.00 61.11 H new ATOM 0 HB2 ALA A 21 0.509 -14.272 3.051 1.00 61.11 H new ATOM 0 HB3 ALA A 21 2.209 -13.780 2.864 1.00 61.11 H new ATOM 301 N ALA A 22 3.111 -14.464 6.211 1.00 64.12 N ATOM 302 CA ALA A 22 4.373 -14.547 6.945 1.00 4.42 C ATOM 303 C ALA A 22 5.587 -14.811 6.042 1.00 21.04 C ATOM 304 O ALA A 22 6.717 -14.737 6.526 1.00 31.14 O ATOM 305 CB ALA A 22 4.283 -15.614 8.039 1.00 14.43 C ATOM 0 H ALA A 22 2.544 -15.310 6.266 1.00 64.12 H new ATOM 0 HA ALA A 22 4.531 -13.568 7.397 1.00 4.42 H new ATOM 0 HB1 ALA A 22 5.230 -15.664 8.577 1.00 14.43 H new ATOM 0 HB2 ALA A 22 3.484 -15.356 8.734 1.00 14.43 H new ATOM 0 HB3 ALA A 22 4.071 -16.583 7.586 1.00 14.43 H new ATOM 311 N ARG A 23 5.392 -15.139 4.758 1.00 61.34 N ATOM 312 CA ARG A 23 6.469 -15.465 3.814 1.00 32.33 C ATOM 313 C ARG A 23 6.267 -14.757 2.474 1.00 14.44 C ATOM 314 O ARG A 23 6.205 -15.389 1.418 1.00 54.53 O ATOM 315 CB ARG A 23 6.758 -16.975 3.739 1.00 75.10 C ATOM 316 CG ARG A 23 5.518 -17.832 3.504 1.00 0.22 C ATOM 317 CD ARG A 23 4.996 -18.460 4.808 1.00 21.01 C ATOM 318 NE ARG A 23 3.909 -19.430 4.579 1.00 31.44 N ATOM 319 CZ ARG A 23 3.820 -20.681 5.056 1.00 70.14 C ATOM 320 NH1 ARG A 23 4.860 -21.265 5.639 1.00 54.21 N ATOM 321 NH2 ARG A 23 2.676 -21.348 4.961 1.00 44.32 N ATOM 0 H ARG A 23 4.464 -15.186 4.338 1.00 61.34 H new ATOM 0 HA ARG A 23 7.402 -15.057 4.203 1.00 32.33 H new ATOM 0 HB2 ARG A 23 7.472 -17.159 2.936 1.00 75.10 H new ATOM 0 HB3 ARG A 23 7.235 -17.290 4.667 1.00 75.10 H new ATOM 0 HG2 ARG A 23 4.734 -17.221 3.057 1.00 0.22 H new ATOM 0 HG3 ARG A 23 5.753 -18.621 2.790 1.00 0.22 H new ATOM 0 HD2 ARG A 23 5.819 -18.958 5.321 1.00 21.01 H new ATOM 0 HD3 ARG A 23 4.639 -17.670 5.469 1.00 21.01 H new ATOM 0 HE ARG A 23 3.137 -19.114 3.991 1.00 31.44 H new ATOM 0 HH11 ARG A 23 5.743 -20.762 5.729 1.00 54.21 H new ATOM 0 HH12 ARG A 23 4.776 -22.217 5.997 1.00 54.21 H new ATOM 0 HH21 ARG A 23 1.865 -20.909 4.525 1.00 44.32 H new ATOM 0 HH22 ARG A 23 2.608 -22.299 5.324 1.00 44.32 H new ATOM 332 N ILE A 24 6.169 -13.429 2.525 1.00 13.31 N ATOM 333 CA ILE A 24 6.088 -12.563 1.358 1.00 54.22 C ATOM 334 C ILE A 24 7.363 -11.718 1.275 1.00 73.14 C ATOM 335 O ILE A 24 7.796 -11.160 2.285 1.00 60.40 O ATOM 336 CB ILE A 24 4.778 -11.747 1.418 1.00 75.23 C ATOM 337 CG1 ILE A 24 4.633 -10.947 0.119 1.00 62.11 C ATOM 338 CG2 ILE A 24 4.692 -10.802 2.625 1.00 63.14 C ATOM 339 CD1 ILE A 24 3.223 -10.488 -0.235 1.00 2.44 C ATOM 0 H ILE A 24 6.143 -12.915 3.406 1.00 13.31 H new ATOM 0 HA ILE A 24 6.041 -13.135 0.431 1.00 54.22 H new ATOM 0 HB ILE A 24 3.962 -12.460 1.535 1.00 75.23 H new ATOM 0 HG12 ILE A 24 5.273 -10.067 0.185 1.00 62.11 H new ATOM 0 HG13 ILE A 24 5.011 -11.556 -0.702 1.00 62.11 H new ATOM 0 HG21 ILE A 24 3.745 -10.264 2.599 1.00 63.14 H new ATOM 0 HG22 ILE A 24 4.755 -11.382 3.546 1.00 63.14 H new ATOM 0 HG23 ILE A 24 5.516 -10.089 2.588 1.00 63.14 H new ATOM 0 HD11 ILE A 24 3.246 -9.933 -1.173 1.00 2.44 H new ATOM 0 HD12 ILE A 24 2.574 -11.357 -0.343 1.00 2.44 H new ATOM 0 HD13 ILE A 24 2.840 -9.846 0.558 1.00 2.44 H new ATOM 350 N ARG A 25 7.980 -11.627 0.097 1.00 42.13 N ATOM 351 CA ARG A 25 9.149 -10.765 -0.125 1.00 64.01 C ATOM 352 C ARG A 25 8.704 -9.322 -0.373 1.00 13.25 C ATOM 353 O ARG A 25 7.547 -9.107 -0.726 1.00 23.45 O ATOM 354 CB ARG A 25 9.969 -11.315 -1.311 1.00 32.14 C ATOM 355 CG ARG A 25 11.053 -12.256 -0.772 1.00 2.44 C ATOM 356 CD ARG A 25 11.894 -12.914 -1.869 1.00 15.22 C ATOM 357 NE ARG A 25 11.141 -13.905 -2.646 1.00 44.20 N ATOM 358 CZ ARG A 25 10.821 -15.141 -2.258 1.00 21.11 C ATOM 359 NH1 ARG A 25 11.096 -15.565 -1.028 1.00 63.14 N ATOM 360 NH2 ARG A 25 10.205 -15.956 -3.097 1.00 11.24 N ATOM 0 H ARG A 25 7.687 -12.146 -0.731 1.00 42.13 H new ATOM 0 HA ARG A 25 9.781 -10.765 0.763 1.00 64.01 H new ATOM 0 HB2 ARG A 25 9.318 -11.848 -2.004 1.00 32.14 H new ATOM 0 HB3 ARG A 25 10.424 -10.495 -1.867 1.00 32.14 H new ATOM 0 HG2 ARG A 25 11.711 -11.696 -0.108 1.00 2.44 H new ATOM 0 HG3 ARG A 25 10.581 -13.034 -0.172 1.00 2.44 H new ATOM 0 HD2 ARG A 25 12.273 -12.144 -2.541 1.00 15.22 H new ATOM 0 HD3 ARG A 25 12.760 -13.396 -1.416 1.00 15.22 H new ATOM 0 HE ARG A 25 10.831 -13.621 -3.575 1.00 44.20 H new ATOM 0 HH11 ARG A 25 11.558 -14.942 -0.365 1.00 63.14 H new ATOM 0 HH12 ARG A 25 10.845 -16.513 -0.747 1.00 63.14 H new ATOM 0 HH21 ARG A 25 9.975 -15.640 -4.039 1.00 11.24 H new ATOM 0 HH22 ARG A 25 9.960 -16.901 -2.802 1.00 11.24 H new ATOM 371 N PRO A 26 9.601 -8.320 -0.297 1.00 44.43 N ATOM 372 CA PRO A 26 9.263 -6.958 -0.705 1.00 60.32 C ATOM 373 C PRO A 26 8.840 -6.940 -2.179 1.00 2.33 C ATOM 374 O PRO A 26 7.800 -6.376 -2.527 1.00 4.24 O ATOM 375 CB PRO A 26 10.517 -6.114 -0.432 1.00 11.21 C ATOM 376 CG PRO A 26 11.660 -7.128 -0.414 1.00 13.55 C ATOM 377 CD PRO A 26 10.998 -8.399 0.111 1.00 15.45 C ATOM 0 HA PRO A 26 8.416 -6.551 -0.152 1.00 60.32 H new ATOM 0 HB2 PRO A 26 10.666 -5.361 -1.206 1.00 11.21 H new ATOM 0 HB3 PRO A 26 10.441 -5.584 0.518 1.00 11.21 H new ATOM 0 HG2 PRO A 26 12.081 -7.276 -1.408 1.00 13.55 H new ATOM 0 HG3 PRO A 26 12.475 -6.803 0.233 1.00 13.55 H new ATOM 0 HD2 PRO A 26 11.476 -9.287 -0.302 1.00 15.45 H new ATOM 0 HD3 PRO A 26 11.085 -8.465 1.196 1.00 15.45 H new ATOM 382 N ARG A 27 9.613 -7.616 -3.036 1.00 51.24 N ATOM 383 CA ARG A 27 9.372 -7.658 -4.470 1.00 32.43 C ATOM 384 C ARG A 27 8.081 -8.391 -4.848 1.00 35.24 C ATOM 385 O ARG A 27 7.580 -8.164 -5.945 1.00 15.35 O ATOM 386 CB ARG A 27 10.608 -8.239 -5.174 1.00 44.11 C ATOM 387 CG ARG A 27 10.581 -8.063 -6.704 1.00 73.30 C ATOM 388 CD ARG A 27 11.977 -7.987 -7.330 1.00 3.13 C ATOM 389 NE ARG A 27 12.694 -6.749 -6.986 1.00 43.31 N ATOM 390 CZ ARG A 27 13.995 -6.632 -6.688 1.00 4.23 C ATOM 391 NH1 ARG A 27 14.778 -7.707 -6.648 1.00 1.34 N ATOM 392 NH2 ARG A 27 14.508 -5.437 -6.427 1.00 41.14 N ATOM 0 H ARG A 27 10.430 -8.152 -2.744 1.00 51.24 H new ATOM 0 HA ARG A 27 9.215 -6.637 -4.817 1.00 32.43 H new ATOM 0 HB2 ARG A 27 11.502 -7.759 -4.776 1.00 44.11 H new ATOM 0 HB3 ARG A 27 10.685 -9.301 -4.939 1.00 44.11 H new ATOM 0 HG2 ARG A 27 10.036 -8.895 -7.149 1.00 73.30 H new ATOM 0 HG3 ARG A 27 10.031 -7.154 -6.949 1.00 73.30 H new ATOM 0 HD2 ARG A 27 12.564 -8.844 -7.000 1.00 3.13 H new ATOM 0 HD3 ARG A 27 11.888 -8.060 -8.414 1.00 3.13 H new ATOM 0 HE ARG A 27 12.143 -5.891 -6.973 1.00 43.31 H new ATOM 0 HH11 ARG A 27 14.389 -8.629 -6.845 1.00 1.34 H new ATOM 0 HH12 ARG A 27 15.767 -7.609 -6.420 1.00 1.34 H new ATOM 0 HH21 ARG A 27 13.912 -4.609 -6.453 1.00 41.14 H new ATOM 0 HH22 ARG A 27 15.498 -5.346 -6.200 1.00 41.14 H new ATOM 403 N ASP A 28 7.485 -9.195 -3.955 1.00 42.24 N ATOM 404 CA ASP A 28 6.207 -9.841 -4.259 1.00 71.22 C ATOM 405 C ASP A 28 5.129 -8.775 -4.456 1.00 54.14 C ATOM 406 O ASP A 28 4.250 -8.945 -5.302 1.00 35.24 O ATOM 407 CB ASP A 28 5.772 -10.816 -3.151 1.00 32.13 C ATOM 408 CG ASP A 28 6.437 -12.201 -3.168 1.00 61.01 C ATOM 409 OD1 ASP A 28 7.143 -12.545 -4.143 1.00 0.51 O ATOM 410 OD2 ASP A 28 6.252 -12.986 -2.205 1.00 43.12 O ATOM 0 H ASP A 28 7.863 -9.409 -3.032 1.00 42.24 H new ATOM 0 HA ASP A 28 6.338 -10.419 -5.174 1.00 71.22 H new ATOM 0 HB2 ASP A 28 5.974 -10.351 -2.186 1.00 32.13 H new ATOM 0 HB3 ASP A 28 4.693 -10.953 -3.219 1.00 32.13 H new ATOM 414 N LEU A 29 5.211 -7.672 -3.697 1.00 15.44 N ATOM 415 CA LEU A 29 4.226 -6.606 -3.734 1.00 4.22 C ATOM 416 C LEU A 29 4.498 -5.683 -4.908 1.00 55.55 C ATOM 417 O LEU A 29 3.544 -5.234 -5.540 1.00 31.34 O ATOM 418 CB LEU A 29 4.218 -5.761 -2.442 1.00 62.31 C ATOM 419 CG LEU A 29 3.694 -6.426 -1.155 1.00 44.42 C ATOM 420 CD1 LEU A 29 2.342 -7.121 -1.353 1.00 33.34 C ATOM 421 CD2 LEU A 29 4.705 -7.403 -0.557 1.00 53.53 C ATOM 0 H LEU A 29 5.972 -7.503 -3.039 1.00 15.44 H new ATOM 0 HA LEU A 29 3.253 -7.087 -3.836 1.00 4.22 H new ATOM 0 HB2 LEU A 29 5.238 -5.425 -2.255 1.00 62.31 H new ATOM 0 HB3 LEU A 29 3.618 -4.870 -2.628 1.00 62.31 H new ATOM 0 HG LEU A 29 3.546 -5.610 -0.448 1.00 44.42 H new ATOM 0 HD11 LEU A 29 2.023 -7.571 -0.413 1.00 33.34 H new ATOM 0 HD12 LEU A 29 1.601 -6.390 -1.675 1.00 33.34 H new ATOM 0 HD13 LEU A 29 2.440 -7.897 -2.112 1.00 33.34 H new ATOM 0 HD21 LEU A 29 4.291 -7.846 0.348 1.00 53.53 H new ATOM 0 HD22 LEU A 29 4.922 -8.190 -1.280 1.00 53.53 H new ATOM 0 HD23 LEU A 29 5.624 -6.871 -0.312 1.00 53.53 H new ATOM 432 N GLU A 30 5.753 -5.301 -5.176 1.00 63.45 N ATOM 433 CA GLU A 30 6.043 -4.381 -6.273 1.00 62.42 C ATOM 434 C GLU A 30 5.588 -4.992 -7.605 1.00 53.35 C ATOM 435 O GLU A 30 5.031 -4.290 -8.451 1.00 31.30 O ATOM 436 CB GLU A 30 7.507 -3.910 -6.213 1.00 12.31 C ATOM 437 CG GLU A 30 8.503 -4.865 -6.871 1.00 75.03 C ATOM 438 CD GLU A 30 9.971 -4.532 -6.583 1.00 15.50 C ATOM 439 OE1 GLU A 30 10.327 -4.246 -5.420 1.00 54.11 O ATOM 440 OE2 GLU A 30 10.822 -4.606 -7.501 1.00 55.45 O ATOM 0 H GLU A 30 6.572 -5.612 -4.653 1.00 63.45 H new ATOM 0 HA GLU A 30 5.463 -3.463 -6.174 1.00 62.42 H new ATOM 0 HB2 GLU A 30 7.583 -2.936 -6.696 1.00 12.31 H new ATOM 0 HB3 GLU A 30 7.789 -3.772 -5.169 1.00 12.31 H new ATOM 0 HG2 GLU A 30 8.298 -5.879 -6.529 1.00 75.03 H new ATOM 0 HG3 GLU A 30 8.343 -4.853 -7.949 1.00 75.03 H new ATOM 445 N GLU A 31 5.717 -6.315 -7.732 1.00 54.52 N ATOM 446 CA GLU A 31 5.240 -7.093 -8.864 1.00 64.23 C ATOM 447 C GLU A 31 3.725 -7.330 -8.853 1.00 72.32 C ATOM 448 O GLU A 31 3.181 -7.781 -9.862 1.00 41.13 O ATOM 449 CB GLU A 31 5.963 -8.437 -8.885 1.00 13.11 C ATOM 450 CG GLU A 31 7.430 -8.274 -9.271 1.00 13.21 C ATOM 451 CD GLU A 31 8.165 -9.604 -9.427 1.00 60.24 C ATOM 452 OE1 GLU A 31 7.629 -10.683 -9.068 1.00 52.32 O ATOM 453 OE2 GLU A 31 9.314 -9.581 -9.920 1.00 34.44 O ATOM 0 H GLU A 31 6.173 -6.888 -7.022 1.00 54.52 H new ATOM 0 HA GLU A 31 5.456 -6.512 -9.761 1.00 64.23 H new ATOM 0 HB2 GLU A 31 5.893 -8.905 -7.903 1.00 13.11 H new ATOM 0 HB3 GLU A 31 5.471 -9.105 -9.592 1.00 13.11 H new ATOM 0 HG2 GLU A 31 7.493 -7.720 -10.208 1.00 13.21 H new ATOM 0 HG3 GLU A 31 7.934 -7.675 -8.512 1.00 13.21 H new ATOM 458 N PHE A 32 3.023 -7.042 -7.754 1.00 12.44 N ATOM 459 CA PHE A 32 1.565 -7.045 -7.761 1.00 74.44 C ATOM 460 C PHE A 32 1.086 -5.825 -8.532 1.00 0.51 C ATOM 461 O PHE A 32 0.450 -5.967 -9.576 1.00 60.25 O ATOM 462 CB PHE A 32 0.969 -7.081 -6.347 1.00 23.24 C ATOM 463 CG PHE A 32 -0.551 -7.144 -6.332 1.00 42.22 C ATOM 464 CD1 PHE A 32 -1.243 -7.959 -7.253 1.00 42.21 C ATOM 465 CD2 PHE A 32 -1.288 -6.386 -5.400 1.00 70.35 C ATOM 466 CE1 PHE A 32 -2.642 -8.010 -7.247 1.00 13.02 C ATOM 467 CE2 PHE A 32 -2.690 -6.443 -5.392 1.00 1.41 C ATOM 468 CZ PHE A 32 -3.369 -7.257 -6.310 1.00 53.04 C ATOM 0 H PHE A 32 3.441 -6.805 -6.854 1.00 12.44 H new ATOM 0 HA PHE A 32 1.219 -7.956 -8.250 1.00 74.44 H new ATOM 0 HB2 PHE A 32 1.366 -7.946 -5.816 1.00 23.24 H new ATOM 0 HB3 PHE A 32 1.294 -6.195 -5.801 1.00 23.24 H new ATOM 0 HD1 PHE A 32 -0.689 -8.548 -7.968 1.00 42.21 H new ATOM 0 HD2 PHE A 32 -0.771 -5.759 -4.689 1.00 70.35 H new ATOM 0 HE1 PHE A 32 -3.163 -8.629 -7.963 1.00 13.02 H new ATOM 0 HE2 PHE A 32 -3.248 -5.858 -4.676 1.00 1.41 H new ATOM 0 HZ PHE A 32 -4.448 -7.305 -6.297 1.00 53.04 H new ATOM 477 N PHE A 33 1.381 -4.621 -8.037 1.00 63.02 N ATOM 478 CA PHE A 33 0.874 -3.408 -8.672 1.00 60.31 C ATOM 479 C PHE A 33 1.558 -3.130 -10.019 1.00 1.21 C ATOM 480 O PHE A 33 0.973 -2.407 -10.823 1.00 34.22 O ATOM 481 CB PHE A 33 0.940 -2.214 -7.712 1.00 62.23 C ATOM 482 CG PHE A 33 0.179 -2.373 -6.402 1.00 22.34 C ATOM 483 CD1 PHE A 33 -1.174 -2.766 -6.389 1.00 33.30 C ATOM 484 CD2 PHE A 33 0.815 -2.095 -5.179 1.00 44.22 C ATOM 485 CE1 PHE A 33 -1.840 -2.976 -5.168 1.00 1.34 C ATOM 486 CE2 PHE A 33 0.158 -2.312 -3.958 1.00 21.23 C ATOM 487 CZ PHE A 33 -1.166 -2.777 -3.954 1.00 62.41 C ATOM 0 H PHE A 33 1.959 -4.463 -7.212 1.00 63.02 H new ATOM 0 HA PHE A 33 -0.179 -3.570 -8.904 1.00 60.31 H new ATOM 0 HB2 PHE A 33 1.987 -2.016 -7.480 1.00 62.23 H new ATOM 0 HB3 PHE A 33 0.556 -1.335 -8.229 1.00 62.23 H new ATOM 0 HD1 PHE A 33 -1.702 -2.907 -7.321 1.00 33.30 H new ATOM 0 HD2 PHE A 33 1.824 -1.709 -5.179 1.00 44.22 H new ATOM 0 HE1 PHE A 33 -2.873 -3.291 -5.165 1.00 1.34 H new ATOM 0 HE2 PHE A 33 0.669 -2.122 -3.026 1.00 21.23 H new ATOM 0 HZ PHE A 33 -1.665 -2.981 -3.018 1.00 62.41 H new ATOM 496 N SER A 34 2.694 -3.777 -10.324 1.00 11.40 N ATOM 497 CA SER A 34 3.293 -3.870 -11.662 1.00 33.22 C ATOM 498 C SER A 34 2.274 -4.280 -12.740 1.00 42.31 C ATOM 499 O SER A 34 2.455 -3.983 -13.928 1.00 23.32 O ATOM 500 CB SER A 34 4.454 -4.872 -11.598 1.00 54.53 C ATOM 501 OG SER A 34 5.085 -5.086 -12.846 1.00 31.34 O ATOM 0 H SER A 34 3.241 -4.268 -9.617 1.00 11.40 H new ATOM 0 HA SER A 34 3.654 -2.884 -11.953 1.00 33.22 H new ATOM 0 HB2 SER A 34 5.194 -4.513 -10.883 1.00 54.53 H new ATOM 0 HB3 SER A 34 4.081 -5.824 -11.220 1.00 54.53 H new ATOM 0 HG SER A 34 5.815 -5.731 -12.737 1.00 31.34 H new ATOM 506 N THR A 35 1.199 -4.979 -12.368 1.00 11.20 N ATOM 507 CA THR A 35 0.214 -5.428 -13.332 1.00 32.12 C ATOM 508 C THR A 35 -0.576 -4.235 -13.917 1.00 32.54 C ATOM 509 O THR A 35 -1.112 -4.365 -15.015 1.00 5.32 O ATOM 510 CB THR A 35 -0.626 -6.536 -12.669 1.00 54.34 C ATOM 511 OG1 THR A 35 -1.159 -7.389 -13.657 1.00 51.32 O ATOM 512 CG2 THR A 35 -1.761 -6.012 -11.791 1.00 61.33 C ATOM 0 H THR A 35 0.996 -5.242 -11.404 1.00 11.20 H new ATOM 0 HA THR A 35 0.677 -5.873 -14.213 1.00 32.12 H new ATOM 0 HB THR A 35 0.055 -7.077 -12.011 1.00 54.34 H new ATOM 0 HG1 THR A 35 -1.691 -8.092 -13.230 1.00 51.32 H new ATOM 0 HG21 THR A 35 -2.305 -6.852 -11.360 1.00 61.33 H new ATOM 0 HG22 THR A 35 -1.348 -5.398 -10.990 1.00 61.33 H new ATOM 0 HG23 THR A 35 -2.441 -5.411 -12.395 1.00 61.33 H new ATOM 520 N VAL A 36 -0.605 -3.059 -13.265 1.00 51.03 N ATOM 521 CA VAL A 36 -1.359 -1.880 -13.722 1.00 11.12 C ATOM 522 C VAL A 36 -0.586 -0.559 -13.639 1.00 40.03 C ATOM 523 O VAL A 36 -0.911 0.421 -14.317 1.00 21.11 O ATOM 524 CB VAL A 36 -2.703 -1.777 -12.961 1.00 74.11 C ATOM 525 CG1 VAL A 36 -3.727 -2.806 -13.456 1.00 3.21 C ATOM 526 CG2 VAL A 36 -2.548 -1.909 -11.431 1.00 13.24 C ATOM 0 H VAL A 36 -0.098 -2.900 -12.394 1.00 51.03 H new ATOM 0 HA VAL A 36 -1.543 -2.038 -14.785 1.00 11.12 H new ATOM 0 HB VAL A 36 -3.070 -0.774 -13.177 1.00 74.11 H new ATOM 0 HG11 VAL A 36 -4.654 -2.696 -12.893 1.00 3.21 H new ATOM 0 HG12 VAL A 36 -3.924 -2.643 -14.516 1.00 3.21 H new ATOM 0 HG13 VAL A 36 -3.332 -3.811 -13.311 1.00 3.21 H new ATOM 0 HG21 VAL A 36 -3.527 -1.828 -10.958 1.00 13.24 H new ATOM 0 HG22 VAL A 36 -2.108 -2.877 -11.192 1.00 13.24 H new ATOM 0 HG23 VAL A 36 -1.899 -1.115 -11.061 1.00 13.24 H new ATOM 536 N GLY A 37 0.464 -0.513 -12.838 1.00 0.32 N ATOM 537 CA GLY A 37 1.153 0.704 -12.461 1.00 2.14 C ATOM 538 C GLY A 37 2.608 0.435 -12.134 1.00 51.55 C ATOM 539 O GLY A 37 3.083 -0.688 -12.262 1.00 74.04 O ATOM 0 H GLY A 37 0.872 -1.349 -12.420 1.00 0.32 H new ATOM 0 HA2 GLY A 37 1.089 1.427 -13.274 1.00 2.14 H new ATOM 0 HA3 GLY A 37 0.661 1.150 -11.597 1.00 2.14 H new ATOM 543 N LYS A 38 3.325 1.479 -11.725 1.00 11.12 N ATOM 544 CA LYS A 38 4.748 1.411 -11.436 1.00 41.14 C ATOM 545 C LYS A 38 4.995 1.869 -10.007 1.00 2.53 C ATOM 546 O LYS A 38 4.464 2.886 -9.555 1.00 4.24 O ATOM 547 CB LYS A 38 5.546 2.199 -12.479 1.00 15.11 C ATOM 548 CG LYS A 38 5.141 3.679 -12.547 1.00 71.35 C ATOM 549 CD LYS A 38 5.996 4.445 -13.549 1.00 12.52 C ATOM 550 CE LYS A 38 5.546 4.094 -14.973 1.00 75.43 C ATOM 551 NZ LYS A 38 5.955 5.101 -15.971 1.00 42.42 N ATOM 0 H LYS A 38 2.925 2.407 -11.584 1.00 11.12 H new ATOM 0 HA LYS A 38 5.100 0.382 -11.507 1.00 41.14 H new ATOM 0 HB2 LYS A 38 6.608 2.128 -12.246 1.00 15.11 H new ATOM 0 HB3 LYS A 38 5.404 1.743 -13.459 1.00 15.11 H new ATOM 0 HG2 LYS A 38 4.091 3.758 -12.828 1.00 71.35 H new ATOM 0 HG3 LYS A 38 5.242 4.131 -11.560 1.00 71.35 H new ATOM 0 HD2 LYS A 38 5.902 5.518 -13.380 1.00 12.52 H new ATOM 0 HD3 LYS A 38 7.048 4.192 -13.415 1.00 12.52 H new ATOM 0 HE2 LYS A 38 5.961 3.125 -15.251 1.00 75.43 H new ATOM 0 HE3 LYS A 38 4.461 3.993 -14.991 1.00 75.43 H new ATOM 0 HZ1 LYS A 38 5.624 4.811 -16.913 1.00 42.42 H new ATOM 0 HZ2 LYS A 38 5.538 6.022 -15.726 1.00 42.42 H new ATOM 0 HZ3 LYS A 38 6.992 5.181 -15.978 1.00 42.42 H new ATOM 561 N VAL A 39 5.790 1.092 -9.297 1.00 52.55 N ATOM 562 CA VAL A 39 6.025 1.241 -7.874 1.00 31.23 C ATOM 563 C VAL A 39 7.329 2.002 -7.710 1.00 20.34 C ATOM 564 O VAL A 39 8.329 1.690 -8.359 1.00 13.21 O ATOM 565 CB VAL A 39 6.027 -0.153 -7.217 1.00 63.13 C ATOM 566 CG1 VAL A 39 6.623 -0.134 -5.806 1.00 31.41 C ATOM 567 CG2 VAL A 39 4.576 -0.653 -7.140 1.00 74.44 C ATOM 0 H VAL A 39 6.307 0.315 -9.708 1.00 52.55 H new ATOM 0 HA VAL A 39 5.242 1.809 -7.372 1.00 31.23 H new ATOM 0 HB VAL A 39 6.647 -0.812 -7.824 1.00 63.13 H new ATOM 0 HG11 VAL A 39 6.601 -1.140 -5.388 1.00 31.41 H new ATOM 0 HG12 VAL A 39 7.654 0.217 -5.851 1.00 31.41 H new ATOM 0 HG13 VAL A 39 6.039 0.535 -5.173 1.00 31.41 H new ATOM 0 HG21 VAL A 39 4.555 -1.640 -6.677 1.00 74.44 H new ATOM 0 HG22 VAL A 39 3.983 0.040 -6.543 1.00 74.44 H new ATOM 0 HG23 VAL A 39 4.159 -0.715 -8.145 1.00 74.44 H new ATOM 577 N ARG A 40 7.319 3.014 -6.839 1.00 15.10 N ATOM 578 CA ARG A 40 8.531 3.738 -6.508 1.00 31.14 C ATOM 579 C ARG A 40 9.352 2.830 -5.609 1.00 55.45 C ATOM 580 O ARG A 40 10.440 2.400 -5.992 1.00 20.02 O ATOM 581 CB ARG A 40 8.187 5.071 -5.819 1.00 35.04 C ATOM 582 CG ARG A 40 9.399 5.988 -5.715 1.00 62.41 C ATOM 583 CD ARG A 40 9.493 6.862 -6.973 1.00 72.23 C ATOM 584 NE ARG A 40 10.539 7.885 -6.864 1.00 40.33 N ATOM 585 CZ ARG A 40 10.565 9.058 -7.515 1.00 1.20 C ATOM 586 NH1 ARG A 40 9.569 9.434 -8.322 1.00 64.13 N ATOM 587 NH2 ARG A 40 11.595 9.872 -7.351 1.00 35.20 N ATOM 0 H ARG A 40 6.483 3.344 -6.356 1.00 15.10 H new ATOM 0 HA ARG A 40 9.102 3.993 -7.401 1.00 31.14 H new ATOM 0 HB2 ARG A 40 7.398 5.575 -6.377 1.00 35.04 H new ATOM 0 HB3 ARG A 40 7.795 4.873 -4.821 1.00 35.04 H new ATOM 0 HG2 ARG A 40 9.317 6.617 -4.828 1.00 62.41 H new ATOM 0 HG3 ARG A 40 10.307 5.396 -5.603 1.00 62.41 H new ATOM 0 HD2 ARG A 40 9.695 6.230 -7.838 1.00 72.23 H new ATOM 0 HD3 ARG A 40 8.532 7.345 -7.149 1.00 72.23 H new ATOM 0 HE ARG A 40 11.318 7.686 -6.236 1.00 40.33 H new ATOM 0 HH11 ARG A 40 8.763 8.824 -8.456 1.00 64.13 H new ATOM 0 HH12 ARG A 40 9.615 10.331 -8.805 1.00 64.13 H new ATOM 0 HH21 ARG A 40 12.362 9.606 -6.733 1.00 35.20 H new ATOM 0 HH22 ARG A 40 11.622 10.765 -7.842 1.00 35.20 H new ATOM 598 N ASP A 41 8.822 2.539 -4.428 1.00 2.51 N ATOM 599 CA ASP A 41 9.572 2.111 -3.256 1.00 43.34 C ATOM 600 C ASP A 41 8.582 1.348 -2.356 1.00 41.21 C ATOM 601 O ASP A 41 7.366 1.510 -2.501 1.00 0.13 O ATOM 602 CB ASP A 41 10.118 3.361 -2.539 1.00 71.35 C ATOM 603 CG ASP A 41 11.328 4.049 -3.165 1.00 43.32 C ATOM 604 OD1 ASP A 41 12.357 3.386 -3.431 1.00 71.12 O ATOM 605 OD2 ASP A 41 11.264 5.288 -3.347 1.00 4.41 O ATOM 0 H ASP A 41 7.819 2.597 -4.254 1.00 2.51 H new ATOM 0 HA ASP A 41 10.416 1.471 -3.513 1.00 43.34 H new ATOM 0 HB2 ASP A 41 9.312 4.091 -2.471 1.00 71.35 H new ATOM 0 HB3 ASP A 41 10.379 3.079 -1.519 1.00 71.35 H new ATOM 609 N VAL A 42 9.063 0.509 -1.434 1.00 15.52 N ATOM 610 CA VAL A 42 8.260 -0.331 -0.571 1.00 54.45 C ATOM 611 C VAL A 42 8.781 -0.227 0.869 1.00 60.44 C ATOM 612 O VAL A 42 9.998 -0.125 1.073 1.00 52.13 O ATOM 613 CB VAL A 42 8.337 -1.772 -1.108 1.00 0.43 C ATOM 614 CG1 VAL A 42 7.567 -1.952 -2.428 1.00 35.41 C ATOM 615 CG2 VAL A 42 9.761 -2.328 -1.293 1.00 24.13 C ATOM 0 H VAL A 42 10.064 0.400 -1.270 1.00 15.52 H new ATOM 0 HA VAL A 42 7.217 -0.013 -0.564 1.00 54.45 H new ATOM 0 HB VAL A 42 7.864 -2.350 -0.314 1.00 0.43 H new ATOM 0 HG11 VAL A 42 7.654 -2.986 -2.762 1.00 35.41 H new ATOM 0 HG12 VAL A 42 6.516 -1.708 -2.272 1.00 35.41 H new ATOM 0 HG13 VAL A 42 7.985 -1.289 -3.186 1.00 35.41 H new ATOM 0 HG21 VAL A 42 9.707 -3.348 -1.675 1.00 24.13 H new ATOM 0 HG22 VAL A 42 10.306 -1.704 -2.001 1.00 24.13 H new ATOM 0 HG23 VAL A 42 10.280 -2.327 -0.334 1.00 24.13 H new ATOM 625 N ARG A 43 7.876 -0.293 1.854 1.00 21.12 N ATOM 626 CA ARG A 43 8.128 -0.103 3.284 1.00 60.31 C ATOM 627 C ARG A 43 7.454 -1.238 4.053 1.00 15.42 C ATOM 628 O ARG A 43 6.311 -1.558 3.739 1.00 60.03 O ATOM 629 CB ARG A 43 7.517 1.252 3.708 1.00 15.53 C ATOM 630 CG ARG A 43 8.491 2.431 3.590 1.00 62.35 C ATOM 631 CD ARG A 43 7.814 3.813 3.656 1.00 64.41 C ATOM 632 NE ARG A 43 6.939 3.958 4.828 1.00 0.11 N ATOM 633 CZ ARG A 43 6.307 5.055 5.258 1.00 24.43 C ATOM 634 NH1 ARG A 43 6.461 6.245 4.700 1.00 11.13 N ATOM 635 NH2 ARG A 43 5.472 4.941 6.279 1.00 31.11 N ATOM 0 H ARG A 43 6.894 -0.492 1.661 1.00 21.12 H new ATOM 0 HA ARG A 43 9.197 -0.107 3.495 1.00 60.31 H new ATOM 0 HB2 ARG A 43 6.640 1.454 3.093 1.00 15.53 H new ATOM 0 HB3 ARG A 43 7.173 1.178 4.740 1.00 15.53 H new ATOM 0 HG2 ARG A 43 9.229 2.361 4.389 1.00 62.35 H new ATOM 0 HG3 ARG A 43 9.033 2.348 2.648 1.00 62.35 H new ATOM 0 HD2 ARG A 43 8.580 4.588 3.681 1.00 64.41 H new ATOM 0 HD3 ARG A 43 7.230 3.971 2.749 1.00 64.41 H new ATOM 0 HE ARG A 43 6.796 3.115 5.384 1.00 0.11 H new ATOM 0 HH11 ARG A 43 7.086 6.357 3.902 1.00 11.13 H new ATOM 0 HH12 ARG A 43 5.954 7.050 5.068 1.00 11.13 H new ATOM 0 HH21 ARG A 43 5.324 4.032 6.718 1.00 31.11 H new ATOM 0 HH22 ARG A 43 4.977 5.762 6.627 1.00 31.11 H new ATOM 646 N MET A 44 8.106 -1.842 5.050 1.00 14.34 N ATOM 647 CA MET A 44 7.620 -3.011 5.791 1.00 1.30 C ATOM 648 C MET A 44 7.926 -2.834 7.278 1.00 21.02 C ATOM 649 O MET A 44 9.099 -2.730 7.644 1.00 15.21 O ATOM 650 CB MET A 44 8.311 -4.288 5.284 1.00 40.25 C ATOM 651 CG MET A 44 8.119 -4.555 3.786 1.00 31.14 C ATOM 652 SD MET A 44 8.901 -6.072 3.145 1.00 21.43 S ATOM 653 CE MET A 44 8.275 -7.320 4.301 1.00 21.41 C ATOM 0 H MET A 44 9.018 -1.520 5.375 1.00 14.34 H new ATOM 0 HA MET A 44 6.544 -3.101 5.640 1.00 1.30 H new ATOM 0 HB2 MET A 44 9.378 -4.218 5.495 1.00 40.25 H new ATOM 0 HB3 MET A 44 7.930 -5.141 5.845 1.00 40.25 H new ATOM 0 HG2 MET A 44 7.050 -4.604 3.579 1.00 31.14 H new ATOM 0 HG3 MET A 44 8.512 -3.703 3.231 1.00 31.14 H new ATOM 0 HE1 MET A 44 8.460 -8.315 3.897 1.00 21.41 H new ATOM 0 HE2 MET A 44 8.784 -7.216 5.259 1.00 21.41 H new ATOM 0 HE3 MET A 44 7.203 -7.180 4.443 1.00 21.41 H new ATOM 661 N ILE A 45 6.919 -2.837 8.159 1.00 60.35 N ATOM 662 CA ILE A 45 7.092 -2.444 9.569 1.00 31.41 C ATOM 663 C ILE A 45 6.840 -3.631 10.499 1.00 71.41 C ATOM 664 O ILE A 45 6.077 -4.532 10.159 1.00 60.03 O ATOM 665 CB ILE A 45 6.191 -1.249 9.972 1.00 22.32 C ATOM 666 CG1 ILE A 45 5.920 -0.250 8.835 1.00 24.24 C ATOM 667 CG2 ILE A 45 6.829 -0.458 11.132 1.00 51.51 C ATOM 668 CD1 ILE A 45 4.716 -0.650 7.988 1.00 4.20 C ATOM 0 H ILE A 45 5.965 -3.110 7.920 1.00 60.35 H new ATOM 0 HA ILE A 45 8.127 -2.118 9.675 1.00 31.41 H new ATOM 0 HB ILE A 45 5.242 -1.703 10.259 1.00 22.32 H new ATOM 0 HG12 ILE A 45 5.751 0.741 9.257 1.00 24.24 H new ATOM 0 HG13 ILE A 45 6.802 -0.179 8.198 1.00 24.24 H new ATOM 0 HG21 ILE A 45 6.183 0.377 11.402 1.00 51.51 H new ATOM 0 HG22 ILE A 45 6.954 -1.113 11.994 1.00 51.51 H new ATOM 0 HG23 ILE A 45 7.802 -0.078 10.821 1.00 51.51 H new ATOM 0 HD11 ILE A 45 4.566 0.087 7.199 1.00 4.20 H new ATOM 0 HD12 ILE A 45 4.894 -1.629 7.542 1.00 4.20 H new ATOM 0 HD13 ILE A 45 3.827 -0.694 8.617 1.00 4.20 H new ATOM 679 N SER A 46 7.427 -3.613 11.705 1.00 34.02 N ATOM 680 CA SER A 46 7.222 -4.670 12.690 1.00 60.14 C ATOM 681 C SER A 46 7.021 -4.222 14.143 1.00 12.44 C ATOM 682 O SER A 46 7.003 -5.082 15.028 1.00 14.51 O ATOM 683 CB SER A 46 8.350 -5.703 12.573 1.00 71.32 C ATOM 684 OG SER A 46 8.381 -6.347 11.318 1.00 72.24 O ATOM 0 H SER A 46 8.051 -2.869 12.017 1.00 34.02 H new ATOM 0 HA SER A 46 6.259 -5.113 12.436 1.00 60.14 H new ATOM 0 HB2 SER A 46 9.306 -5.209 12.745 1.00 71.32 H new ATOM 0 HB3 SER A 46 8.232 -6.452 13.356 1.00 71.32 H new ATOM 0 HG SER A 46 9.268 -6.738 11.173 1.00 72.24 H new ATOM 689 N ASP A 47 6.843 -2.923 14.407 1.00 40.52 N ATOM 690 CA ASP A 47 6.769 -2.237 15.713 1.00 22.13 C ATOM 691 C ASP A 47 8.165 -2.225 16.312 1.00 51.54 C ATOM 692 O ASP A 47 8.842 -1.196 16.339 1.00 32.13 O ATOM 693 CB ASP A 47 5.709 -2.841 16.659 1.00 63.42 C ATOM 694 CG ASP A 47 5.724 -2.257 18.078 1.00 21.33 C ATOM 695 OD1 ASP A 47 6.679 -2.527 18.849 1.00 62.11 O ATOM 696 OD2 ASP A 47 4.682 -1.704 18.487 1.00 4.41 O ATOM 0 H ASP A 47 6.736 -2.257 13.642 1.00 40.52 H new ATOM 0 HA ASP A 47 6.428 -1.213 15.564 1.00 22.13 H new ATOM 0 HB2 ASP A 47 4.721 -2.686 16.225 1.00 63.42 H new ATOM 0 HB3 ASP A 47 5.865 -3.918 16.720 1.00 63.42 H new ATOM 700 N ARG A 48 8.631 -3.422 16.645 1.00 61.41 N ATOM 701 CA ARG A 48 10.034 -3.778 16.797 1.00 33.41 C ATOM 702 C ARG A 48 10.192 -5.277 16.666 1.00 13.50 C ATOM 703 O ARG A 48 11.222 -5.708 16.169 1.00 52.15 O ATOM 704 CB ARG A 48 10.551 -3.375 18.179 1.00 22.00 C ATOM 705 CG ARG A 48 11.356 -2.065 18.179 1.00 35.11 C ATOM 706 CD ARG A 48 10.740 -0.999 19.089 1.00 21.13 C ATOM 707 NE ARG A 48 11.637 0.152 19.245 1.00 55.32 N ATOM 708 CZ ARG A 48 11.843 1.150 18.383 1.00 41.34 C ATOM 709 NH1 ARG A 48 11.191 1.219 17.226 1.00 75.14 N ATOM 710 NH2 ARG A 48 12.726 2.079 18.709 1.00 41.24 N ATOM 0 H ARG A 48 8.008 -4.210 16.825 1.00 61.41 H new ATOM 0 HA ARG A 48 10.599 -3.255 16.025 1.00 33.41 H new ATOM 0 HB2 ARG A 48 9.705 -3.271 18.858 1.00 22.00 H new ATOM 0 HB3 ARG A 48 11.177 -4.176 18.571 1.00 22.00 H new ATOM 0 HG2 ARG A 48 12.376 -2.269 18.503 1.00 35.11 H new ATOM 0 HG3 ARG A 48 11.416 -1.679 17.161 1.00 35.11 H new ATOM 0 HD2 ARG A 48 9.789 -0.668 18.672 1.00 21.13 H new ATOM 0 HD3 ARG A 48 10.526 -1.431 20.066 1.00 21.13 H new ATOM 0 HE ARG A 48 12.166 0.194 20.116 1.00 55.32 H new ATOM 0 HH11 ARG A 48 10.514 0.498 16.979 1.00 75.14 H new ATOM 0 HH12 ARG A 48 11.368 1.993 16.586 1.00 75.14 H new ATOM 0 HH21 ARG A 48 13.225 2.019 19.596 1.00 41.24 H new ATOM 0 HH22 ARG A 48 12.908 2.856 18.073 1.00 41.24 H new ATOM 721 N ASN A 49 9.166 -6.043 17.061 1.00 54.32 N ATOM 722 CA ASN A 49 9.177 -7.494 17.249 1.00 71.12 C ATOM 723 C ASN A 49 9.864 -8.253 16.122 1.00 73.14 C ATOM 724 O ASN A 49 10.371 -9.337 16.370 1.00 52.13 O ATOM 725 CB ASN A 49 7.735 -8.030 17.387 1.00 31.13 C ATOM 726 CG ASN A 49 7.459 -8.573 18.781 1.00 54.43 C ATOM 727 OD1 ASN A 49 8.006 -9.589 19.190 1.00 20.13 O ATOM 728 ND2 ASN A 49 6.561 -7.949 19.515 1.00 4.32 N ATOM 0 H ASN A 49 8.253 -5.639 17.269 1.00 54.32 H new ATOM 0 HA ASN A 49 9.750 -7.665 18.160 1.00 71.12 H new ATOM 0 HB2 ASN A 49 7.028 -7.231 17.163 1.00 31.13 H new ATOM 0 HB3 ASN A 49 7.569 -8.818 16.652 1.00 31.13 H new ATOM 0 HD21 ASN A 49 6.314 -8.311 20.436 1.00 4.32 H new ATOM 0 HD22 ASN A 49 6.113 -7.103 19.163 1.00 4.32 H new ATOM 734 N SER A 50 9.820 -7.750 14.881 1.00 53.51 N ATOM 735 CA SER A 50 10.551 -8.269 13.720 1.00 75.02 C ATOM 736 C SER A 50 10.109 -9.683 13.282 1.00 53.11 C ATOM 737 O SER A 50 10.399 -10.128 12.173 1.00 13.41 O ATOM 738 CB SER A 50 12.061 -8.164 14.028 1.00 1.41 C ATOM 739 OG SER A 50 12.719 -7.311 13.113 1.00 21.23 O ATOM 0 H SER A 50 9.250 -6.936 14.650 1.00 53.51 H new ATOM 0 HA SER A 50 10.313 -7.660 12.848 1.00 75.02 H new ATOM 0 HB2 SER A 50 12.201 -7.789 15.042 1.00 1.41 H new ATOM 0 HB3 SER A 50 12.511 -9.156 13.990 1.00 1.41 H new ATOM 0 HG SER A 50 13.672 -7.265 13.336 1.00 21.23 H new ATOM 744 N ARG A 51 9.319 -10.372 14.102 1.00 55.44 N ATOM 745 CA ARG A 51 9.025 -11.794 14.072 1.00 24.44 C ATOM 746 C ARG A 51 7.510 -11.997 14.170 1.00 34.13 C ATOM 747 O ARG A 51 7.034 -12.913 14.839 1.00 53.21 O ATOM 748 CB ARG A 51 9.824 -12.414 15.238 1.00 22.22 C ATOM 749 CG ARG A 51 10.317 -13.824 14.929 1.00 42.11 C ATOM 750 CD ARG A 51 11.072 -14.430 16.117 1.00 52.34 C ATOM 751 NE ARG A 51 10.265 -15.412 16.846 1.00 4.41 N ATOM 752 CZ ARG A 51 9.462 -15.176 17.884 1.00 40.54 C ATOM 753 NH1 ARG A 51 9.404 -13.982 18.453 1.00 23.31 N ATOM 754 NH2 ARG A 51 8.698 -16.156 18.336 1.00 32.32 N ATOM 0 H ARG A 51 8.830 -9.907 14.866 1.00 55.44 H new ATOM 0 HA ARG A 51 9.322 -12.285 13.145 1.00 24.44 H new ATOM 0 HB2 ARG A 51 10.678 -11.777 15.467 1.00 22.22 H new ATOM 0 HB3 ARG A 51 9.197 -12.440 16.129 1.00 22.22 H new ATOM 0 HG2 ARG A 51 9.469 -14.459 14.674 1.00 42.11 H new ATOM 0 HG3 ARG A 51 10.970 -13.799 14.057 1.00 42.11 H new ATOM 0 HD2 ARG A 51 11.985 -14.907 15.760 1.00 52.34 H new ATOM 0 HD3 ARG A 51 11.374 -13.634 16.797 1.00 52.34 H new ATOM 0 HE ARG A 51 10.324 -16.379 16.525 1.00 4.41 H new ATOM 0 HH11 ARG A 51 9.981 -13.219 18.098 1.00 23.31 H new ATOM 0 HH12 ARG A 51 8.782 -13.825 19.246 1.00 23.31 H new ATOM 0 HH21 ARG A 51 8.729 -17.074 17.892 1.00 32.32 H new ATOM 0 HH22 ARG A 51 8.077 -15.994 19.129 1.00 32.32 H new ATOM 765 N ARG A 52 6.745 -11.043 13.631 1.00 33.45 N ATOM 766 CA ARG A 52 5.292 -10.918 13.731 1.00 35.04 C ATOM 767 C ARG A 52 4.761 -10.100 12.561 1.00 15.43 C ATOM 768 O ARG A 52 3.766 -10.475 11.951 1.00 14.15 O ATOM 769 CB ARG A 52 4.879 -10.170 15.019 1.00 64.40 C ATOM 770 CG ARG A 52 5.109 -10.903 16.343 1.00 64.32 C ATOM 771 CD ARG A 52 4.537 -10.053 17.482 1.00 3.34 C ATOM 772 NE ARG A 52 4.594 -10.771 18.767 1.00 12.52 N ATOM 773 CZ ARG A 52 3.591 -10.928 19.639 1.00 62.43 C ATOM 774 NH1 ARG A 52 2.435 -10.293 19.483 1.00 63.11 N ATOM 775 NH2 ARG A 52 3.757 -11.727 20.683 1.00 42.12 N ATOM 0 H ARG A 52 7.153 -10.290 13.078 1.00 33.45 H new ATOM 0 HA ARG A 52 4.883 -11.929 13.735 1.00 35.04 H new ATOM 0 HB2 ARG A 52 5.423 -9.226 15.054 1.00 64.40 H new ATOM 0 HB3 ARG A 52 3.819 -9.925 14.945 1.00 64.40 H new ATOM 0 HG2 ARG A 52 4.627 -11.880 16.322 1.00 64.32 H new ATOM 0 HG3 ARG A 52 6.174 -11.076 16.499 1.00 64.32 H new ATOM 0 HD2 ARG A 52 5.096 -9.121 17.559 1.00 3.34 H new ATOM 0 HD3 ARG A 52 3.504 -9.787 17.257 1.00 3.34 H new ATOM 0 HE ARG A 52 5.489 -11.191 19.018 1.00 12.52 H new ATOM 0 HH11 ARG A 52 2.298 -9.671 18.686 1.00 63.11 H new ATOM 0 HH12 ARG A 52 1.684 -10.427 20.160 1.00 63.11 H new ATOM 0 HH21 ARG A 52 4.643 -12.215 20.816 1.00 42.12 H new ATOM 0 HH22 ARG A 52 2.999 -11.854 21.354 1.00 42.12 H new ATOM 786 N SER A 53 5.337 -8.904 12.408 1.00 22.31 N ATOM 787 CA SER A 53 4.829 -7.678 11.792 1.00 13.53 C ATOM 788 C SER A 53 3.401 -7.231 12.119 1.00 55.33 C ATOM 789 O SER A 53 3.142 -6.052 11.928 1.00 35.30 O ATOM 790 CB SER A 53 5.094 -7.602 10.286 1.00 1.30 C ATOM 791 OG SER A 53 4.695 -8.771 9.598 1.00 31.12 O ATOM 0 H SER A 53 6.285 -8.757 12.756 1.00 22.31 H new ATOM 0 HA SER A 53 5.441 -6.940 12.311 1.00 13.53 H new ATOM 0 HB2 SER A 53 4.565 -6.744 9.872 1.00 1.30 H new ATOM 0 HB3 SER A 53 6.157 -7.432 10.117 1.00 1.30 H new ATOM 0 HG SER A 53 4.885 -8.669 8.642 1.00 31.12 H new ATOM 796 N LYS A 54 2.492 -8.106 12.575 1.00 13.54 N ATOM 797 CA LYS A 54 1.047 -8.037 12.313 1.00 35.11 C ATOM 798 C LYS A 54 0.716 -7.822 10.822 1.00 61.43 C ATOM 799 O LYS A 54 -0.379 -7.366 10.512 1.00 32.52 O ATOM 800 CB LYS A 54 0.193 -7.249 13.329 1.00 43.01 C ATOM 801 CG LYS A 54 0.703 -5.839 13.486 1.00 31.43 C ATOM 802 CD LYS A 54 -0.028 -4.964 14.507 1.00 41.03 C ATOM 803 CE LYS A 54 0.496 -5.138 15.936 1.00 74.52 C ATOM 804 NZ LYS A 54 1.895 -4.680 16.106 1.00 35.43 N ATOM 0 H LYS A 54 2.750 -8.905 13.154 1.00 13.54 H new ATOM 0 HA LYS A 54 0.688 -9.043 12.530 1.00 35.11 H new ATOM 0 HB2 LYS A 54 -0.845 -7.229 12.998 1.00 43.01 H new ATOM 0 HB3 LYS A 54 0.211 -7.755 14.294 1.00 43.01 H new ATOM 0 HG2 LYS A 54 1.755 -5.885 13.766 1.00 31.43 H new ATOM 0 HG3 LYS A 54 0.653 -5.347 12.515 1.00 31.43 H new ATOM 0 HD2 LYS A 54 0.070 -3.918 14.216 1.00 41.03 H new ATOM 0 HD3 LYS A 54 -1.091 -5.203 14.485 1.00 41.03 H new ATOM 0 HE2 LYS A 54 -0.146 -4.585 16.621 1.00 74.52 H new ATOM 0 HE3 LYS A 54 0.429 -6.190 16.215 1.00 74.52 H new ATOM 0 HZ1 LYS A 54 2.092 -4.534 17.117 1.00 35.43 H new ATOM 0 HZ2 LYS A 54 2.544 -5.399 15.727 1.00 35.43 H new ATOM 0 HZ3 LYS A 54 2.032 -3.785 15.594 1.00 35.43 H new ATOM 814 N GLY A 55 1.643 -8.168 9.913 1.00 11.13 N ATOM 815 CA GLY A 55 1.479 -8.100 8.467 1.00 32.42 C ATOM 816 C GLY A 55 1.136 -6.695 8.001 1.00 31.42 C ATOM 817 O GLY A 55 -0.042 -6.371 7.855 1.00 74.33 O ATOM 0 H GLY A 55 2.562 -8.516 10.186 1.00 11.13 H new ATOM 0 HA2 GLY A 55 2.398 -8.429 7.982 1.00 32.42 H new ATOM 0 HA3 GLY A 55 0.691 -8.787 8.158 1.00 32.42 H new ATOM 821 N ILE A 56 2.148 -5.868 7.755 1.00 62.32 N ATOM 822 CA ILE A 56 1.974 -4.472 7.351 1.00 60.04 C ATOM 823 C ILE A 56 3.095 -4.044 6.405 1.00 42.45 C ATOM 824 O ILE A 56 4.277 -4.064 6.761 1.00 43.35 O ATOM 825 CB ILE A 56 1.845 -3.533 8.578 1.00 43.51 C ATOM 826 CG1 ILE A 56 2.965 -3.747 9.617 1.00 60.23 C ATOM 827 CG2 ILE A 56 0.426 -3.674 9.163 1.00 12.12 C ATOM 828 CD1 ILE A 56 2.803 -2.981 10.933 1.00 2.50 C ATOM 0 H ILE A 56 3.125 -6.150 7.831 1.00 62.32 H new ATOM 0 HA ILE A 56 1.035 -4.389 6.804 1.00 60.04 H new ATOM 0 HB ILE A 56 1.983 -2.501 8.255 1.00 43.51 H new ATOM 0 HG12 ILE A 56 3.028 -4.812 9.843 1.00 60.23 H new ATOM 0 HG13 ILE A 56 3.915 -3.460 9.165 1.00 60.23 H new ATOM 0 HG21 ILE A 56 0.322 -3.018 10.027 1.00 12.12 H new ATOM 0 HG22 ILE A 56 -0.308 -3.397 8.407 1.00 12.12 H new ATOM 0 HG23 ILE A 56 0.260 -4.707 9.469 1.00 12.12 H new ATOM 0 HD11 ILE A 56 3.644 -3.204 11.590 1.00 2.50 H new ATOM 0 HD12 ILE A 56 2.775 -1.910 10.730 1.00 2.50 H new ATOM 0 HD13 ILE A 56 1.875 -3.283 11.418 1.00 2.50 H new ATOM 839 N ALA A 57 2.718 -3.601 5.203 1.00 15.41 N ATOM 840 CA ALA A 57 3.629 -2.945 4.279 1.00 12.34 C ATOM 841 C ALA A 57 2.898 -1.795 3.599 1.00 55.23 C ATOM 842 O ALA A 57 1.752 -1.947 3.193 1.00 1.33 O ATOM 843 CB ALA A 57 4.124 -3.933 3.215 1.00 51.34 C ATOM 0 H ALA A 57 1.766 -3.691 4.847 1.00 15.41 H new ATOM 0 HA ALA A 57 4.490 -2.571 4.833 1.00 12.34 H new ATOM 0 HB1 ALA A 57 4.804 -3.423 2.533 1.00 51.34 H new ATOM 0 HB2 ALA A 57 4.647 -4.758 3.699 1.00 51.34 H new ATOM 0 HB3 ALA A 57 3.273 -4.321 2.655 1.00 51.34 H new ATOM 849 N TYR A 58 3.555 -0.658 3.448 1.00 35.00 N ATOM 850 CA TYR A 58 3.094 0.460 2.632 1.00 51.43 C ATOM 851 C TYR A 58 3.906 0.402 1.347 1.00 51.35 C ATOM 852 O TYR A 58 5.025 -0.120 1.317 1.00 61.14 O ATOM 853 CB TYR A 58 3.314 1.791 3.371 1.00 41.32 C ATOM 854 CG TYR A 58 2.435 1.983 4.594 1.00 52.41 C ATOM 855 CD1 TYR A 58 2.627 1.160 5.710 1.00 12.51 C ATOM 856 CD2 TYR A 58 1.424 2.960 4.627 1.00 14.10 C ATOM 857 CE1 TYR A 58 1.815 1.273 6.844 1.00 62.34 C ATOM 858 CE2 TYR A 58 0.592 3.083 5.756 1.00 44.44 C ATOM 859 CZ TYR A 58 0.774 2.225 6.865 1.00 14.11 C ATOM 860 OH TYR A 58 -0.014 2.330 7.968 1.00 43.35 O ATOM 0 H TYR A 58 4.451 -0.479 3.902 1.00 35.00 H new ATOM 0 HA TYR A 58 2.026 0.395 2.422 1.00 51.43 H new ATOM 0 HB2 TYR A 58 4.359 1.855 3.676 1.00 41.32 H new ATOM 0 HB3 TYR A 58 3.134 2.612 2.677 1.00 41.32 H new ATOM 0 HD1 TYR A 58 3.417 0.424 5.695 1.00 12.51 H new ATOM 0 HD2 TYR A 58 1.285 3.619 3.783 1.00 14.10 H new ATOM 0 HE1 TYR A 58 1.984 0.635 7.699 1.00 62.34 H new ATOM 0 HE2 TYR A 58 -0.185 3.833 5.775 1.00 44.44 H new ATOM 0 HH TYR A 58 -0.767 1.707 7.893 1.00 43.35 H new ATOM 869 N VAL A 59 3.337 0.940 0.280 1.00 62.03 N ATOM 870 CA VAL A 59 3.948 0.934 -1.032 1.00 24.03 C ATOM 871 C VAL A 59 3.829 2.356 -1.535 1.00 51.45 C ATOM 872 O VAL A 59 2.729 2.892 -1.690 1.00 61.11 O ATOM 873 CB VAL A 59 3.280 -0.109 -1.935 1.00 22.03 C ATOM 874 CG1 VAL A 59 3.833 0.021 -3.359 1.00 51.45 C ATOM 875 CG2 VAL A 59 3.442 -1.535 -1.366 1.00 72.41 C ATOM 0 H VAL A 59 2.426 1.398 0.305 1.00 62.03 H new ATOM 0 HA VAL A 59 4.997 0.639 -1.015 1.00 24.03 H new ATOM 0 HB VAL A 59 2.207 0.080 -1.969 1.00 22.03 H new ATOM 0 HG11 VAL A 59 3.359 -0.720 -4.002 1.00 51.45 H new ATOM 0 HG12 VAL A 59 3.624 1.020 -3.741 1.00 51.45 H new ATOM 0 HG13 VAL A 59 4.910 -0.145 -3.347 1.00 51.45 H new ATOM 0 HG21 VAL A 59 2.957 -2.249 -2.031 1.00 72.41 H new ATOM 0 HG22 VAL A 59 4.502 -1.776 -1.285 1.00 72.41 H new ATOM 0 HG23 VAL A 59 2.982 -1.587 -0.379 1.00 72.41 H new ATOM 885 N GLU A 60 4.983 2.976 -1.716 1.00 62.33 N ATOM 886 CA GLU A 60 5.134 4.329 -2.186 1.00 2.11 C ATOM 887 C GLU A 60 5.014 4.239 -3.700 1.00 12.33 C ATOM 888 O GLU A 60 5.852 3.635 -4.376 1.00 74.35 O ATOM 889 CB GLU A 60 6.500 4.851 -1.723 1.00 21.44 C ATOM 890 CG GLU A 60 6.561 4.965 -0.191 1.00 60.02 C ATOM 891 CD GLU A 60 7.990 4.887 0.363 1.00 41.31 C ATOM 892 OE1 GLU A 60 8.599 3.796 0.379 1.00 73.12 O ATOM 893 OE2 GLU A 60 8.476 5.915 0.888 1.00 15.44 O ATOM 0 H GLU A 60 5.877 2.522 -1.528 1.00 62.33 H new ATOM 0 HA GLU A 60 4.388 5.023 -1.799 1.00 2.11 H new ATOM 0 HB2 GLU A 60 7.286 4.181 -2.072 1.00 21.44 H new ATOM 0 HB3 GLU A 60 6.690 5.826 -2.171 1.00 21.44 H new ATOM 0 HG2 GLU A 60 6.110 5.909 0.115 1.00 60.02 H new ATOM 0 HG3 GLU A 60 5.963 4.168 0.251 1.00 60.02 H new ATOM 898 N PHE A 61 3.922 4.753 -4.254 1.00 11.41 N ATOM 899 CA PHE A 61 3.732 4.707 -5.694 1.00 42.25 C ATOM 900 C PHE A 61 4.403 5.900 -6.356 1.00 71.44 C ATOM 901 O PHE A 61 4.694 6.908 -5.708 1.00 35.11 O ATOM 902 CB PHE A 61 2.248 4.653 -6.038 1.00 51.14 C ATOM 903 CG PHE A 61 1.957 3.597 -7.069 1.00 42.43 C ATOM 904 CD1 PHE A 61 2.001 2.256 -6.664 1.00 55.44 C ATOM 905 CD2 PHE A 61 1.703 3.923 -8.416 1.00 15.13 C ATOM 906 CE1 PHE A 61 1.755 1.242 -7.593 1.00 22.54 C ATOM 907 CE2 PHE A 61 1.449 2.897 -9.345 1.00 14.24 C ATOM 908 CZ PHE A 61 1.461 1.553 -8.926 1.00 51.41 C ATOM 0 H PHE A 61 3.166 5.200 -3.735 1.00 11.41 H new ATOM 0 HA PHE A 61 4.199 3.800 -6.077 1.00 42.25 H new ATOM 0 HB2 PHE A 61 1.672 4.450 -5.135 1.00 51.14 H new ATOM 0 HB3 PHE A 61 1.925 5.625 -6.410 1.00 51.14 H new ATOM 0 HD1 PHE A 61 2.224 2.007 -5.637 1.00 55.44 H new ATOM 0 HD2 PHE A 61 1.703 4.955 -8.734 1.00 15.13 H new ATOM 0 HE1 PHE A 61 1.792 0.209 -7.280 1.00 22.54 H new ATOM 0 HE2 PHE A 61 1.245 3.140 -10.377 1.00 14.24 H new ATOM 0 HZ PHE A 61 1.244 0.764 -9.631 1.00 51.41 H new ATOM 917 N VAL A 62 4.613 5.815 -7.666 1.00 54.44 N ATOM 918 CA VAL A 62 5.193 6.907 -8.439 1.00 0.23 C ATOM 919 C VAL A 62 4.168 8.035 -8.657 1.00 15.52 C ATOM 920 O VAL A 62 4.556 9.141 -9.036 1.00 2.42 O ATOM 921 CB VAL A 62 5.743 6.328 -9.760 1.00 55.24 C ATOM 922 CG1 VAL A 62 6.303 7.403 -10.701 1.00 72.33 C ATOM 923 CG2 VAL A 62 6.848 5.287 -9.487 1.00 22.12 C ATOM 0 H VAL A 62 4.386 4.989 -8.220 1.00 54.44 H new ATOM 0 HA VAL A 62 6.019 7.364 -7.893 1.00 0.23 H new ATOM 0 HB VAL A 62 4.892 5.858 -10.252 1.00 55.24 H new ATOM 0 HG11 VAL A 62 6.674 6.932 -11.611 1.00 72.33 H new ATOM 0 HG12 VAL A 62 5.514 8.111 -10.954 1.00 72.33 H new ATOM 0 HG13 VAL A 62 7.119 7.930 -10.207 1.00 72.33 H new ATOM 0 HG21 VAL A 62 7.219 4.894 -10.433 1.00 22.12 H new ATOM 0 HG22 VAL A 62 7.667 5.759 -8.944 1.00 22.12 H new ATOM 0 HG23 VAL A 62 6.440 4.471 -8.890 1.00 22.12 H new ATOM 933 N ASP A 63 2.866 7.813 -8.438 1.00 53.31 N ATOM 934 CA ASP A 63 1.866 8.860 -8.640 1.00 34.44 C ATOM 935 C ASP A 63 0.733 8.742 -7.622 1.00 32.24 C ATOM 936 O ASP A 63 0.534 7.672 -7.052 1.00 15.12 O ATOM 937 CB ASP A 63 1.293 8.806 -10.061 1.00 23.54 C ATOM 938 CG ASP A 63 0.802 10.203 -10.419 1.00 3.42 C ATOM 939 OD1 ASP A 63 -0.371 10.521 -10.119 1.00 0.00 O ATOM 940 OD2 ASP A 63 1.640 11.019 -10.863 1.00 41.25 O ATOM 0 H ASP A 63 2.485 6.921 -8.122 1.00 53.31 H new ATOM 0 HA ASP A 63 2.365 9.819 -8.498 1.00 34.44 H new ATOM 0 HB2 ASP A 63 2.055 8.476 -10.768 1.00 23.54 H new ATOM 0 HB3 ASP A 63 0.475 8.088 -10.116 1.00 23.54 H new ATOM 944 N VAL A 64 -0.048 9.805 -7.428 1.00 64.35 N ATOM 945 CA VAL A 64 -1.237 9.830 -6.579 1.00 42.21 C ATOM 946 C VAL A 64 -2.452 9.224 -7.289 1.00 11.34 C ATOM 947 O VAL A 64 -3.367 8.738 -6.628 1.00 0.10 O ATOM 948 CB VAL A 64 -1.485 11.275 -6.103 1.00 52.25 C ATOM 949 CG1 VAL A 64 -1.627 12.293 -7.249 1.00 63.11 C ATOM 950 CG2 VAL A 64 -2.684 11.413 -5.160 1.00 1.43 C ATOM 0 H VAL A 64 0.137 10.703 -7.874 1.00 64.35 H new ATOM 0 HA VAL A 64 -1.070 9.204 -5.702 1.00 42.21 H new ATOM 0 HB VAL A 64 -0.578 11.511 -5.547 1.00 52.25 H new ATOM 0 HG11 VAL A 64 -1.799 13.286 -6.834 1.00 63.11 H new ATOM 0 HG12 VAL A 64 -0.713 12.302 -7.843 1.00 63.11 H new ATOM 0 HG13 VAL A 64 -2.469 12.013 -7.882 1.00 63.11 H new ATOM 0 HG21 VAL A 64 -2.798 12.456 -4.866 1.00 1.43 H new ATOM 0 HG22 VAL A 64 -3.588 11.079 -5.669 1.00 1.43 H new ATOM 0 HG23 VAL A 64 -2.521 10.802 -4.272 1.00 1.43 H new ATOM 960 N SER A 65 -2.471 9.188 -8.625 1.00 63.11 N ATOM 961 CA SER A 65 -3.591 8.627 -9.371 1.00 40.25 C ATOM 962 C SER A 65 -3.823 7.149 -9.009 1.00 4.30 C ATOM 963 O SER A 65 -4.959 6.676 -9.086 1.00 52.23 O ATOM 964 CB SER A 65 -3.315 8.831 -10.863 1.00 64.33 C ATOM 965 OG SER A 65 -4.446 8.574 -11.667 1.00 32.51 O ATOM 0 H SER A 65 -1.716 9.544 -9.211 1.00 63.11 H new ATOM 0 HA SER A 65 -4.516 9.140 -9.107 1.00 40.25 H new ATOM 0 HB2 SER A 65 -2.981 9.855 -11.030 1.00 64.33 H new ATOM 0 HB3 SER A 65 -2.500 8.176 -11.170 1.00 64.33 H new ATOM 0 HG SER A 65 -4.218 8.720 -12.609 1.00 32.51 H new ATOM 970 N SER A 66 -2.785 6.425 -8.580 1.00 74.43 N ATOM 971 CA SER A 66 -2.901 5.024 -8.196 1.00 72.31 C ATOM 972 C SER A 66 -3.322 4.803 -6.733 1.00 53.31 C ATOM 973 O SER A 66 -3.561 3.653 -6.368 1.00 4.21 O ATOM 974 CB SER A 66 -1.580 4.314 -8.467 1.00 13.34 C ATOM 975 OG SER A 66 -1.094 4.606 -9.772 1.00 75.33 O ATOM 0 H SER A 66 -1.840 6.799 -8.491 1.00 74.43 H new ATOM 0 HA SER A 66 -3.703 4.605 -8.804 1.00 72.31 H new ATOM 0 HB2 SER A 66 -0.842 4.619 -7.725 1.00 13.34 H new ATOM 0 HB3 SER A 66 -1.714 3.238 -8.359 1.00 13.34 H new ATOM 0 HG SER A 66 -0.192 4.236 -9.876 1.00 75.33 H new ATOM 980 N VAL A 67 -3.469 5.847 -5.909 1.00 33.34 N ATOM 981 CA VAL A 67 -3.979 5.711 -4.543 1.00 51.13 C ATOM 982 C VAL A 67 -5.344 5.001 -4.579 1.00 12.41 C ATOM 983 O VAL A 67 -5.454 3.901 -4.030 1.00 72.52 O ATOM 984 CB VAL A 67 -3.971 7.071 -3.806 1.00 20.54 C ATOM 985 CG1 VAL A 67 -4.746 7.010 -2.488 1.00 62.31 C ATOM 986 CG2 VAL A 67 -2.532 7.530 -3.515 1.00 21.50 C ATOM 0 H VAL A 67 -3.238 6.806 -6.171 1.00 33.34 H new ATOM 0 HA VAL A 67 -3.319 5.079 -3.949 1.00 51.13 H new ATOM 0 HB VAL A 67 -4.460 7.786 -4.468 1.00 20.54 H new ATOM 0 HG11 VAL A 67 -4.716 7.985 -2.003 1.00 62.31 H new ATOM 0 HG12 VAL A 67 -5.782 6.736 -2.687 1.00 62.31 H new ATOM 0 HG13 VAL A 67 -4.293 6.265 -1.834 1.00 62.31 H new ATOM 0 HG21 VAL A 67 -2.554 8.488 -2.996 1.00 21.50 H new ATOM 0 HG22 VAL A 67 -2.034 6.790 -2.889 1.00 21.50 H new ATOM 0 HG23 VAL A 67 -1.988 7.637 -4.453 1.00 21.50 H new ATOM 996 N PRO A 68 -6.359 5.530 -5.291 1.00 61.35 N ATOM 997 CA PRO A 68 -7.638 4.848 -5.411 1.00 45.11 C ATOM 998 C PRO A 68 -7.547 3.515 -6.163 1.00 64.53 C ATOM 999 O PRO A 68 -8.445 2.685 -6.027 1.00 22.42 O ATOM 1000 CB PRO A 68 -8.567 5.836 -6.124 1.00 74.31 C ATOM 1001 CG PRO A 68 -7.619 6.760 -6.883 1.00 25.41 C ATOM 1002 CD PRO A 68 -6.425 6.831 -5.943 1.00 64.52 C ATOM 0 HA PRO A 68 -8.013 4.572 -4.425 1.00 45.11 H new ATOM 0 HB2 PRO A 68 -9.250 5.323 -6.801 1.00 74.31 H new ATOM 0 HB3 PRO A 68 -9.180 6.391 -5.413 1.00 74.31 H new ATOM 0 HG2 PRO A 68 -7.347 6.354 -7.858 1.00 25.41 H new ATOM 0 HG3 PRO A 68 -8.059 7.742 -7.058 1.00 25.41 H new ATOM 0 HD2 PRO A 68 -5.507 7.041 -6.491 1.00 64.52 H new ATOM 0 HD3 PRO A 68 -6.549 7.630 -5.212 1.00 64.52 H new ATOM 1007 N LEU A 69 -6.508 3.273 -6.972 1.00 65.54 N ATOM 1008 CA LEU A 69 -6.404 2.046 -7.747 1.00 31.42 C ATOM 1009 C LEU A 69 -6.283 0.841 -6.821 1.00 1.11 C ATOM 1010 O LEU A 69 -7.066 -0.098 -6.954 1.00 25.12 O ATOM 1011 CB LEU A 69 -5.226 2.116 -8.721 1.00 51.45 C ATOM 1012 CG LEU A 69 -5.095 0.887 -9.633 1.00 3.30 C ATOM 1013 CD1 LEU A 69 -6.384 0.580 -10.407 1.00 30.52 C ATOM 1014 CD2 LEU A 69 -3.920 1.169 -10.574 1.00 2.12 C ATOM 0 H LEU A 69 -5.729 3.918 -7.102 1.00 65.54 H new ATOM 0 HA LEU A 69 -7.314 1.931 -8.336 1.00 31.42 H new ATOM 0 HB2 LEU A 69 -5.333 3.006 -9.341 1.00 51.45 H new ATOM 0 HB3 LEU A 69 -4.304 2.233 -8.152 1.00 51.45 H new ATOM 0 HG LEU A 69 -4.915 -0.006 -9.035 1.00 3.30 H new ATOM 0 HD11 LEU A 69 -6.231 -0.298 -11.034 1.00 30.52 H new ATOM 0 HD12 LEU A 69 -7.194 0.387 -9.703 1.00 30.52 H new ATOM 0 HD13 LEU A 69 -6.644 1.433 -11.034 1.00 30.52 H new ATOM 0 HD21 LEU A 69 -3.782 0.323 -11.247 1.00 2.12 H new ATOM 0 HD22 LEU A 69 -4.128 2.066 -11.157 1.00 2.12 H new ATOM 0 HD23 LEU A 69 -3.013 1.318 -9.989 1.00 2.12 H new ATOM 1025 N ALA A 70 -5.325 0.871 -5.888 1.00 33.33 N ATOM 1026 CA ALA A 70 -5.074 -0.256 -4.994 1.00 10.13 C ATOM 1027 C ALA A 70 -6.280 -0.545 -4.098 1.00 70.42 C ATOM 1028 O ALA A 70 -6.524 -1.705 -3.770 1.00 1.21 O ATOM 1029 CB ALA A 70 -3.840 0.009 -4.134 1.00 74.13 C ATOM 0 H ALA A 70 -4.710 1.670 -5.735 1.00 33.33 H new ATOM 0 HA ALA A 70 -4.898 -1.133 -5.616 1.00 10.13 H new ATOM 0 HB1 ALA A 70 -3.667 -0.841 -3.474 1.00 74.13 H new ATOM 0 HB2 ALA A 70 -2.972 0.151 -4.777 1.00 74.13 H new ATOM 0 HB3 ALA A 70 -3.999 0.907 -3.536 1.00 74.13 H new ATOM 1035 N ILE A 71 -7.042 0.486 -3.721 1.00 31.14 N ATOM 1036 CA ILE A 71 -8.271 0.349 -2.944 1.00 14.32 C ATOM 1037 C ILE A 71 -9.259 -0.521 -3.720 1.00 54.03 C ATOM 1038 O ILE A 71 -9.864 -1.424 -3.138 1.00 13.32 O ATOM 1039 CB ILE A 71 -8.835 1.746 -2.596 1.00 50.04 C ATOM 1040 CG1 ILE A 71 -7.828 2.513 -1.706 1.00 74.44 C ATOM 1041 CG2 ILE A 71 -10.202 1.652 -1.896 1.00 13.02 C ATOM 1042 CD1 ILE A 71 -8.235 3.972 -1.489 1.00 14.20 C ATOM 0 H ILE A 71 -6.816 1.453 -3.952 1.00 31.14 H new ATOM 0 HA ILE A 71 -8.073 -0.149 -1.995 1.00 14.32 H new ATOM 0 HB ILE A 71 -8.982 2.290 -3.529 1.00 50.04 H new ATOM 0 HG12 ILE A 71 -7.747 2.014 -0.740 1.00 74.44 H new ATOM 0 HG13 ILE A 71 -6.841 2.479 -2.166 1.00 74.44 H new ATOM 0 HG21 ILE A 71 -10.564 2.655 -1.668 1.00 13.02 H new ATOM 0 HG22 ILE A 71 -10.913 1.150 -2.552 1.00 13.02 H new ATOM 0 HG23 ILE A 71 -10.099 1.085 -0.971 1.00 13.02 H new ATOM 0 HD11 ILE A 71 -7.496 4.466 -0.858 1.00 14.20 H new ATOM 0 HD12 ILE A 71 -8.290 4.481 -2.451 1.00 14.20 H new ATOM 0 HD13 ILE A 71 -9.210 4.009 -1.003 1.00 14.20 H new ATOM 1053 N GLY A 72 -9.380 -0.313 -5.033 1.00 3.42 N ATOM 1054 CA GLY A 72 -10.226 -1.132 -5.886 1.00 41.13 C ATOM 1055 C GLY A 72 -9.871 -2.620 -5.806 1.00 24.43 C ATOM 1056 O GLY A 72 -10.743 -3.488 -5.913 1.00 21.40 O ATOM 0 H GLY A 72 -8.891 0.431 -5.530 1.00 3.42 H new ATOM 0 HA2 GLY A 72 -11.268 -0.994 -5.599 1.00 41.13 H new ATOM 0 HA3 GLY A 72 -10.132 -0.794 -6.918 1.00 41.13 H new ATOM 1060 N LEU A 73 -8.598 -2.941 -5.570 1.00 25.21 N ATOM 1061 CA LEU A 73 -8.085 -4.306 -5.578 1.00 74.31 C ATOM 1062 C LEU A 73 -8.244 -5.011 -4.219 1.00 63.21 C ATOM 1063 O LEU A 73 -7.691 -6.096 -4.064 1.00 52.31 O ATOM 1064 CB LEU A 73 -6.620 -4.334 -6.066 1.00 34.22 C ATOM 1065 CG LEU A 73 -6.335 -3.552 -7.366 1.00 5.02 C ATOM 1066 CD1 LEU A 73 -4.910 -3.836 -7.845 1.00 2.13 C ATOM 1067 CD2 LEU A 73 -7.311 -3.847 -8.514 1.00 25.33 C ATOM 0 H LEU A 73 -7.883 -2.243 -5.364 1.00 25.21 H new ATOM 0 HA LEU A 73 -8.693 -4.873 -6.283 1.00 74.31 H new ATOM 0 HB2 LEU A 73 -5.985 -3.934 -5.276 1.00 34.22 H new ATOM 0 HB3 LEU A 73 -6.326 -5.373 -6.216 1.00 34.22 H new ATOM 0 HG LEU A 73 -6.467 -2.502 -7.106 1.00 5.02 H new ATOM 0 HD11 LEU A 73 -4.717 -3.280 -8.763 1.00 2.13 H new ATOM 0 HD12 LEU A 73 -4.200 -3.527 -7.078 1.00 2.13 H new ATOM 0 HD13 LEU A 73 -4.796 -4.903 -8.036 1.00 2.13 H new ATOM 0 HD21 LEU A 73 -7.036 -3.255 -9.387 1.00 25.33 H new ATOM 0 HD22 LEU A 73 -7.267 -4.907 -8.766 1.00 25.33 H new ATOM 0 HD23 LEU A 73 -8.324 -3.589 -8.205 1.00 25.33 H new ATOM 1078 N THR A 74 -8.980 -4.450 -3.244 1.00 64.24 N ATOM 1079 CA THR A 74 -9.073 -4.959 -1.865 1.00 23.24 C ATOM 1080 C THR A 74 -9.387 -6.468 -1.760 1.00 2.33 C ATOM 1081 O THR A 74 -8.972 -7.122 -0.802 1.00 31.44 O ATOM 1082 CB THR A 74 -10.033 -4.083 -1.033 1.00 71.45 C ATOM 1083 OG1 THR A 74 -9.679 -4.196 0.330 1.00 3.21 O ATOM 1084 CG2 THR A 74 -11.513 -4.422 -1.249 1.00 5.34 C ATOM 0 H THR A 74 -9.539 -3.611 -3.397 1.00 64.24 H new ATOM 0 HA THR A 74 -8.075 -4.876 -1.434 1.00 23.24 H new ATOM 0 HB THR A 74 -9.923 -3.052 -1.371 1.00 71.45 H new ATOM 0 HG1 THR A 74 -8.977 -4.873 0.431 1.00 3.21 H new ATOM 0 HG21 THR A 74 -12.130 -3.768 -0.633 1.00 5.34 H new ATOM 0 HG22 THR A 74 -11.769 -4.280 -2.299 1.00 5.34 H new ATOM 0 HG23 THR A 74 -11.693 -5.460 -0.969 1.00 5.34 H new ATOM 1092 N GLY A 75 -10.113 -7.036 -2.729 1.00 25.42 N ATOM 1093 CA GLY A 75 -10.551 -8.428 -2.725 1.00 5.12 C ATOM 1094 C GLY A 75 -9.784 -9.317 -3.699 1.00 44.32 C ATOM 1095 O GLY A 75 -10.166 -10.473 -3.908 1.00 64.11 O ATOM 0 H GLY A 75 -10.418 -6.524 -3.557 1.00 25.42 H new ATOM 0 HA2 GLY A 75 -10.443 -8.830 -1.718 1.00 5.12 H new ATOM 0 HA3 GLY A 75 -11.612 -8.466 -2.971 1.00 5.12 H new ATOM 1099 N GLN A 76 -8.739 -8.796 -4.338 1.00 12.31 N ATOM 1100 CA GLN A 76 -7.760 -9.616 -5.037 1.00 70.15 C ATOM 1101 C GLN A 76 -6.766 -10.161 -4.025 1.00 14.24 C ATOM 1102 O GLN A 76 -6.814 -9.773 -2.865 1.00 70.23 O ATOM 1103 CB GLN A 76 -7.032 -8.789 -6.097 1.00 22.44 C ATOM 1104 CG GLN A 76 -8.021 -8.061 -7.009 1.00 61.52 C ATOM 1105 CD GLN A 76 -7.469 -7.702 -8.380 1.00 22.40 C ATOM 1106 OE1 GLN A 76 -8.216 -7.698 -9.347 1.00 14.13 O ATOM 1107 NE2 GLN A 76 -6.191 -7.389 -8.499 1.00 52.13 N ATOM 0 H GLN A 76 -8.550 -7.795 -4.384 1.00 12.31 H new ATOM 0 HA GLN A 76 -8.267 -10.441 -5.538 1.00 70.15 H new ATOM 0 HB2 GLN A 76 -6.380 -8.063 -5.611 1.00 22.44 H new ATOM 0 HB3 GLN A 76 -6.394 -9.440 -6.695 1.00 22.44 H new ATOM 0 HG2 GLN A 76 -8.904 -8.687 -7.139 1.00 61.52 H new ATOM 0 HG3 GLN A 76 -8.348 -7.147 -6.513 1.00 61.52 H new ATOM 0 HE21 GLN A 76 -5.585 -7.399 -7.679 1.00 52.13 H new ATOM 0 HE22 GLN A 76 -5.810 -7.138 -9.411 1.00 52.13 H new ATOM 1114 N ARG A 77 -5.841 -11.022 -4.448 1.00 54.11 N ATOM 1115 CA ARG A 77 -4.679 -11.399 -3.654 1.00 72.11 C ATOM 1116 C ARG A 77 -3.532 -11.723 -4.586 1.00 3.01 C ATOM 1117 O ARG A 77 -3.730 -12.472 -5.543 1.00 34.31 O ATOM 1118 CB ARG A 77 -4.988 -12.589 -2.728 1.00 72.13 C ATOM 1119 CG ARG A 77 -5.908 -13.663 -3.325 1.00 52.03 C ATOM 1120 CD ARG A 77 -5.804 -14.940 -2.489 1.00 22.52 C ATOM 1121 NE ARG A 77 -7.042 -15.733 -2.503 1.00 51.00 N ATOM 1122 CZ ARG A 77 -7.119 -17.009 -2.114 1.00 74.31 C ATOM 1123 NH1 ARG A 77 -6.037 -17.774 -2.030 1.00 42.33 N ATOM 1124 NH2 ARG A 77 -8.297 -17.524 -1.791 1.00 42.42 N ATOM 0 H ARG A 77 -5.880 -11.479 -5.359 1.00 54.11 H new ATOM 0 HA ARG A 77 -4.403 -10.563 -3.012 1.00 72.11 H new ATOM 0 HB2 ARG A 77 -4.047 -13.059 -2.441 1.00 72.13 H new ATOM 0 HB3 ARG A 77 -5.446 -12.208 -1.815 1.00 72.13 H new ATOM 0 HG2 ARG A 77 -6.938 -13.308 -3.340 1.00 52.03 H new ATOM 0 HG3 ARG A 77 -5.626 -13.867 -4.358 1.00 52.03 H new ATOM 0 HD2 ARG A 77 -4.983 -15.550 -2.866 1.00 22.52 H new ATOM 0 HD3 ARG A 77 -5.559 -14.676 -1.460 1.00 22.52 H new ATOM 0 HE ARG A 77 -7.896 -15.281 -2.830 1.00 51.00 H new ATOM 0 HH11 ARG A 77 -5.122 -17.390 -2.265 1.00 42.33 H new ATOM 0 HH12 ARG A 77 -6.121 -18.745 -1.730 1.00 42.33 H new ATOM 0 HH21 ARG A 77 -9.137 -16.947 -1.840 1.00 42.42 H new ATOM 0 HH22 ARG A 77 -8.364 -18.497 -1.493 1.00 42.42 H new ATOM 1135 N VAL A 78 -2.346 -11.219 -4.268 1.00 54.12 N ATOM 1136 CA VAL A 78 -1.103 -11.728 -4.819 1.00 25.11 C ATOM 1137 C VAL A 78 -0.669 -12.857 -3.893 1.00 63.02 C ATOM 1138 O VAL A 78 -0.505 -12.634 -2.697 1.00 25.34 O ATOM 1139 CB VAL A 78 -0.081 -10.581 -4.960 1.00 30.44 C ATOM 1140 CG1 VAL A 78 0.288 -9.858 -3.653 1.00 54.50 C ATOM 1141 CG2 VAL A 78 1.194 -11.054 -5.662 1.00 2.22 C ATOM 0 H VAL A 78 -2.222 -10.443 -3.618 1.00 54.12 H new ATOM 0 HA VAL A 78 -1.206 -12.126 -5.829 1.00 25.11 H new ATOM 0 HB VAL A 78 -0.601 -9.843 -5.571 1.00 30.44 H new ATOM 0 HG11 VAL A 78 1.012 -9.071 -3.864 1.00 54.50 H new ATOM 0 HG12 VAL A 78 -0.608 -9.419 -3.215 1.00 54.50 H new ATOM 0 HG13 VAL A 78 0.722 -10.572 -2.953 1.00 54.50 H new ATOM 0 HG21 VAL A 78 1.893 -10.222 -5.746 1.00 2.22 H new ATOM 0 HG22 VAL A 78 1.652 -11.856 -5.083 1.00 2.22 H new ATOM 0 HG23 VAL A 78 0.946 -11.421 -6.658 1.00 2.22 H new ATOM 1151 N LEU A 79 -0.544 -14.082 -4.401 1.00 24.22 N ATOM 1152 CA LEU A 79 0.030 -15.250 -3.721 1.00 44.13 C ATOM 1153 C LEU A 79 -0.671 -15.689 -2.436 1.00 53.31 C ATOM 1154 O LEU A 79 -0.238 -16.678 -1.837 1.00 10.25 O ATOM 1155 CB LEU A 79 1.540 -15.041 -3.477 1.00 3.32 C ATOM 1156 CG LEU A 79 2.379 -14.750 -4.735 1.00 2.35 C ATOM 1157 CD1 LEU A 79 3.771 -14.261 -4.333 1.00 63.40 C ATOM 1158 CD2 LEU A 79 2.507 -15.985 -5.626 1.00 5.53 C ATOM 0 H LEU A 79 -0.856 -14.302 -5.347 1.00 24.22 H new ATOM 0 HA LEU A 79 -0.135 -16.078 -4.410 1.00 44.13 H new ATOM 0 HB2 LEU A 79 1.667 -14.215 -2.778 1.00 3.32 H new ATOM 0 HB3 LEU A 79 1.939 -15.932 -2.993 1.00 3.32 H new ATOM 0 HG LEU A 79 1.865 -13.975 -5.304 1.00 2.35 H new ATOM 0 HD11 LEU A 79 4.358 -14.058 -5.229 1.00 63.40 H new ATOM 0 HD12 LEU A 79 3.680 -13.349 -3.744 1.00 63.40 H new ATOM 0 HD13 LEU A 79 4.269 -15.028 -3.740 1.00 63.40 H new ATOM 0 HD21 LEU A 79 3.106 -15.740 -6.503 1.00 5.53 H new ATOM 0 HD22 LEU A 79 2.991 -16.787 -5.069 1.00 5.53 H new ATOM 0 HD23 LEU A 79 1.516 -16.310 -5.942 1.00 5.53 H new ATOM 1169 N GLY A 80 -1.754 -15.024 -2.030 1.00 43.21 N ATOM 1170 CA GLY A 80 -2.410 -15.254 -0.755 1.00 21.12 C ATOM 1171 C GLY A 80 -2.421 -14.028 0.169 1.00 2.14 C ATOM 1172 O GLY A 80 -2.976 -14.117 1.261 1.00 70.24 O ATOM 0 H GLY A 80 -2.202 -14.300 -2.592 1.00 43.21 H new ATOM 0 HA2 GLY A 80 -3.438 -15.568 -0.938 1.00 21.12 H new ATOM 0 HA3 GLY A 80 -1.911 -16.077 -0.244 1.00 21.12 H new ATOM 1176 N VAL A 81 -1.889 -12.891 -0.282 1.00 34.41 N ATOM 1177 CA VAL A 81 -1.888 -11.569 0.339 1.00 51.40 C ATOM 1178 C VAL A 81 -2.903 -10.677 -0.378 1.00 43.21 C ATOM 1179 O VAL A 81 -2.542 -10.005 -1.347 1.00 4.40 O ATOM 1180 CB VAL A 81 -0.456 -10.982 0.391 1.00 45.11 C ATOM 1181 CG1 VAL A 81 -0.401 -9.521 0.890 1.00 70.51 C ATOM 1182 CG2 VAL A 81 0.377 -11.892 1.305 1.00 54.23 C ATOM 0 H VAL A 81 -1.401 -12.873 -1.178 1.00 34.41 H new ATOM 0 HA VAL A 81 -2.203 -11.638 1.380 1.00 51.40 H new ATOM 0 HB VAL A 81 -0.059 -10.952 -0.624 1.00 45.11 H new ATOM 0 HG11 VAL A 81 0.634 -9.178 0.899 1.00 70.51 H new ATOM 0 HG12 VAL A 81 -0.987 -8.887 0.225 1.00 70.51 H new ATOM 0 HG13 VAL A 81 -0.811 -9.465 1.899 1.00 70.51 H new ATOM 0 HG21 VAL A 81 1.396 -11.510 1.367 1.00 54.23 H new ATOM 0 HG22 VAL A 81 -0.065 -11.910 2.301 1.00 54.23 H new ATOM 0 HG23 VAL A 81 0.392 -12.902 0.896 1.00 54.23 H new ATOM 1192 N PRO A 82 -4.187 -10.707 0.022 1.00 13.24 N ATOM 1193 CA PRO A 82 -5.129 -9.651 -0.314 1.00 2.41 C ATOM 1194 C PRO A 82 -4.734 -8.333 0.345 1.00 11.02 C ATOM 1195 O PRO A 82 -3.764 -8.264 1.105 1.00 42.11 O ATOM 1196 CB PRO A 82 -6.500 -10.151 0.157 1.00 33.33 C ATOM 1197 CG PRO A 82 -6.143 -11.032 1.345 1.00 24.30 C ATOM 1198 CD PRO A 82 -4.805 -11.640 0.953 1.00 45.20 C ATOM 0 HA PRO A 82 -5.143 -9.443 -1.384 1.00 2.41 H new ATOM 0 HB2 PRO A 82 -7.154 -9.328 0.445 1.00 33.33 H new ATOM 0 HB3 PRO A 82 -7.017 -10.711 -0.622 1.00 33.33 H new ATOM 0 HG2 PRO A 82 -6.065 -10.452 2.265 1.00 24.30 H new ATOM 0 HG3 PRO A 82 -6.897 -11.800 1.515 1.00 24.30 H new ATOM 0 HD2 PRO A 82 -4.174 -11.789 1.829 1.00 45.20 H new ATOM 0 HD3 PRO A 82 -4.943 -12.617 0.490 1.00 45.20 H new ATOM 1203 N ILE A 83 -5.486 -7.270 0.077 1.00 30.12 N ATOM 1204 CA ILE A 83 -5.236 -5.941 0.615 1.00 64.11 C ATOM 1205 C ILE A 83 -6.469 -5.459 1.391 1.00 71.22 C ATOM 1206 O ILE A 83 -7.438 -6.197 1.543 1.00 11.12 O ATOM 1207 CB ILE A 83 -4.621 -5.035 -0.491 1.00 42.15 C ATOM 1208 CG1 ILE A 83 -4.292 -3.618 0.024 1.00 43.25 C ATOM 1209 CG2 ILE A 83 -5.379 -4.950 -1.830 1.00 34.53 C ATOM 1210 CD1 ILE A 83 -3.176 -2.924 -0.742 1.00 25.42 C ATOM 0 H ILE A 83 -6.302 -7.311 -0.533 1.00 30.12 H new ATOM 0 HA ILE A 83 -4.462 -5.918 1.382 1.00 64.11 H new ATOM 0 HB ILE A 83 -3.701 -5.569 -0.730 1.00 42.15 H new ATOM 0 HG12 ILE A 83 -5.192 -3.005 -0.030 1.00 43.25 H new ATOM 0 HG13 ILE A 83 -4.012 -3.681 1.076 1.00 43.25 H new ATOM 0 HG21 ILE A 83 -4.844 -4.287 -2.510 1.00 34.53 H new ATOM 0 HG22 ILE A 83 -5.449 -5.944 -2.272 1.00 34.53 H new ATOM 0 HG23 ILE A 83 -6.381 -4.559 -1.656 1.00 34.53 H new ATOM 0 HD11 ILE A 83 -3.005 -1.934 -0.319 1.00 25.42 H new ATOM 0 HD12 ILE A 83 -2.262 -3.513 -0.667 1.00 25.42 H new ATOM 0 HD13 ILE A 83 -3.460 -2.827 -1.790 1.00 25.42 H new ATOM 1221 N ILE A 84 -6.364 -4.285 2.005 1.00 25.32 N ATOM 1222 CA ILE A 84 -7.408 -3.583 2.731 1.00 42.43 C ATOM 1223 C ILE A 84 -7.520 -2.204 2.083 1.00 64.53 C ATOM 1224 O ILE A 84 -6.511 -1.598 1.709 1.00 5.14 O ATOM 1225 CB ILE A 84 -7.026 -3.487 4.228 1.00 54.15 C ATOM 1226 CG1 ILE A 84 -6.852 -4.865 4.892 1.00 70.24 C ATOM 1227 CG2 ILE A 84 -8.043 -2.675 5.046 1.00 52.25 C ATOM 1228 CD1 ILE A 84 -8.111 -5.740 4.926 1.00 12.23 C ATOM 0 H ILE A 84 -5.486 -3.766 2.007 1.00 25.32 H new ATOM 0 HA ILE A 84 -8.366 -4.100 2.685 1.00 42.43 H new ATOM 0 HB ILE A 84 -6.067 -2.970 4.232 1.00 54.15 H new ATOM 0 HG12 ILE A 84 -6.067 -5.407 4.365 1.00 70.24 H new ATOM 0 HG13 ILE A 84 -6.505 -4.716 5.915 1.00 70.24 H new ATOM 0 HG21 ILE A 84 -7.726 -2.640 6.088 1.00 52.25 H new ATOM 0 HG22 ILE A 84 -8.102 -1.661 4.650 1.00 52.25 H new ATOM 0 HG23 ILE A 84 -9.023 -3.148 4.980 1.00 52.25 H new ATOM 0 HD11 ILE A 84 -7.882 -6.688 5.413 1.00 12.23 H new ATOM 0 HD12 ILE A 84 -8.896 -5.227 5.481 1.00 12.23 H new ATOM 0 HD13 ILE A 84 -8.451 -5.929 3.908 1.00 12.23 H new ATOM 1239 N VAL A 85 -8.733 -1.674 2.039 1.00 32.24 N ATOM 1240 CA VAL A 85 -9.121 -0.390 1.468 1.00 71.33 C ATOM 1241 C VAL A 85 -8.518 0.841 2.174 1.00 64.52 C ATOM 1242 O VAL A 85 -8.742 1.960 1.721 1.00 43.15 O ATOM 1243 CB VAL A 85 -10.662 -0.338 1.483 1.00 31.14 C ATOM 1244 CG1 VAL A 85 -11.303 -1.480 0.700 1.00 43.34 C ATOM 1245 CG2 VAL A 85 -11.242 -0.360 2.909 1.00 14.10 C ATOM 0 H VAL A 85 -9.535 -2.168 2.432 1.00 32.24 H new ATOM 0 HA VAL A 85 -8.718 -0.333 0.457 1.00 71.33 H new ATOM 0 HB VAL A 85 -10.903 0.610 1.003 1.00 31.14 H new ATOM 0 HG11 VAL A 85 -12.388 -1.389 0.747 1.00 43.34 H new ATOM 0 HG12 VAL A 85 -10.980 -1.434 -0.340 1.00 43.34 H new ATOM 0 HG13 VAL A 85 -10.999 -2.433 1.133 1.00 43.34 H new ATOM 0 HG21 VAL A 85 -12.330 -0.322 2.860 1.00 14.10 H new ATOM 0 HG22 VAL A 85 -10.934 -1.276 3.413 1.00 14.10 H new ATOM 0 HG23 VAL A 85 -10.873 0.502 3.465 1.00 14.10 H new ATOM 1255 N GLN A 86 -7.783 0.650 3.277 1.00 10.10 N ATOM 1256 CA GLN A 86 -7.318 1.693 4.189 1.00 33.33 C ATOM 1257 C GLN A 86 -6.550 2.812 3.499 1.00 21.34 C ATOM 1258 O GLN A 86 -6.818 3.984 3.767 1.00 72.34 O ATOM 1259 CB GLN A 86 -6.437 1.066 5.286 1.00 41.31 C ATOM 1260 CG GLN A 86 -7.231 0.718 6.551 1.00 54.34 C ATOM 1261 CD GLN A 86 -7.845 1.930 7.255 1.00 14.02 C ATOM 1262 OE1 GLN A 86 -8.960 1.860 7.771 1.00 62.13 O ATOM 1263 NE2 GLN A 86 -7.138 3.046 7.312 1.00 44.34 N ATOM 0 H GLN A 86 -7.484 -0.281 3.568 1.00 10.10 H new ATOM 0 HA GLN A 86 -8.211 2.147 4.619 1.00 33.33 H new ATOM 0 HB2 GLN A 86 -5.966 0.163 4.897 1.00 41.31 H new ATOM 0 HB3 GLN A 86 -5.635 1.758 5.543 1.00 41.31 H new ATOM 0 HG2 GLN A 86 -8.027 0.022 6.287 1.00 54.34 H new ATOM 0 HG3 GLN A 86 -6.573 0.200 7.249 1.00 54.34 H new ATOM 0 HE21 GLN A 86 -6.215 3.088 6.879 1.00 44.34 H new ATOM 0 HE22 GLN A 86 -7.515 3.865 7.789 1.00 44.34 H new ATOM 1270 N ALA A 87 -5.575 2.453 2.663 1.00 45.22 N ATOM 1271 CA ALA A 87 -4.618 3.343 2.062 1.00 34.20 C ATOM 1272 C ALA A 87 -3.728 4.011 3.121 1.00 64.54 C ATOM 1273 O ALA A 87 -3.778 3.724 4.323 1.00 12.14 O ATOM 1274 CB ALA A 87 -5.356 4.293 1.124 1.00 13.02 C ATOM 0 H ALA A 87 -5.436 1.482 2.382 1.00 45.22 H new ATOM 0 HA ALA A 87 -3.905 2.794 1.446 1.00 34.20 H new ATOM 0 HB1 ALA A 87 -4.642 4.974 0.661 1.00 13.02 H new ATOM 0 HB2 ALA A 87 -5.864 3.718 0.350 1.00 13.02 H new ATOM 0 HB3 ALA A 87 -6.090 4.866 1.690 1.00 13.02 H new ATOM 1280 N SER A 88 -2.812 4.836 2.638 1.00 13.02 N ATOM 1281 CA SER A 88 -1.873 5.621 3.432 1.00 74.31 C ATOM 1282 C SER A 88 -2.443 7.031 3.529 1.00 63.14 C ATOM 1283 O SER A 88 -2.450 7.750 2.529 1.00 72.33 O ATOM 1284 CB SER A 88 -0.492 5.601 2.759 1.00 61.11 C ATOM 1285 OG SER A 88 0.523 6.217 3.540 1.00 61.55 O ATOM 0 H SER A 88 -2.696 4.985 1.636 1.00 13.02 H new ATOM 0 HA SER A 88 -1.743 5.213 4.434 1.00 74.31 H new ATOM 0 HB2 SER A 88 -0.209 4.568 2.557 1.00 61.11 H new ATOM 0 HB3 SER A 88 -0.557 6.107 1.796 1.00 61.11 H new ATOM 0 HG SER A 88 1.399 6.034 3.141 1.00 61.55 H new ATOM 1290 N GLN A 89 -2.870 7.471 4.711 1.00 54.02 N ATOM 1291 CA GLN A 89 -3.494 8.752 4.948 1.00 15.14 C ATOM 1292 C GLN A 89 -4.836 8.882 4.196 1.00 52.15 C ATOM 1293 O GLN A 89 -5.366 7.877 3.716 1.00 52.44 O ATOM 1294 CB GLN A 89 -2.463 9.861 4.723 1.00 64.25 C ATOM 1295 CG GLN A 89 -1.015 9.541 5.118 1.00 53.13 C ATOM 1296 CD GLN A 89 -0.107 10.757 5.026 1.00 24.32 C ATOM 1297 OE1 GLN A 89 0.816 10.817 4.217 1.00 21.20 O ATOM 1298 NE2 GLN A 89 -0.372 11.758 5.840 1.00 32.31 N ATOM 0 H GLN A 89 -2.782 6.913 5.560 1.00 54.02 H new ATOM 0 HA GLN A 89 -3.802 8.854 5.989 1.00 15.14 H new ATOM 0 HB2 GLN A 89 -2.477 10.130 3.667 1.00 64.25 H new ATOM 0 HB3 GLN A 89 -2.782 10.742 5.281 1.00 64.25 H new ATOM 0 HG2 GLN A 89 -0.996 9.153 6.137 1.00 53.13 H new ATOM 0 HG3 GLN A 89 -0.630 8.754 4.470 1.00 53.13 H new ATOM 0 HE21 GLN A 89 -1.143 11.685 6.503 1.00 32.31 H new ATOM 0 HE22 GLN A 89 0.194 12.606 5.807 1.00 32.31 H new ATOM 1305 N ALA A 90 -5.447 10.070 4.195 1.00 23.11 N ATOM 1306 CA ALA A 90 -6.735 10.373 3.565 1.00 20.24 C ATOM 1307 C ALA A 90 -6.780 11.866 3.223 1.00 51.04 C ATOM 1308 O ALA A 90 -5.920 12.632 3.659 1.00 73.31 O ATOM 1309 CB ALA A 90 -7.889 10.036 4.527 1.00 71.11 C ATOM 0 H ALA A 90 -5.038 10.884 4.654 1.00 23.11 H new ATOM 0 HA ALA A 90 -6.844 9.776 2.660 1.00 20.24 H new ATOM 0 HB1 ALA A 90 -8.841 10.265 4.048 1.00 71.11 H new ATOM 0 HB2 ALA A 90 -7.855 8.976 4.778 1.00 71.11 H new ATOM 0 HB3 ALA A 90 -7.789 10.628 5.437 1.00 71.11 H new ATOM 1315 N GLU A 91 -7.831 12.313 2.533 1.00 3.34 N ATOM 1316 CA GLU A 91 -8.071 13.717 2.189 1.00 44.01 C ATOM 1317 C GLU A 91 -8.543 14.572 3.382 1.00 43.13 C ATOM 1318 O GLU A 91 -9.108 15.652 3.183 1.00 2.44 O ATOM 1319 CB GLU A 91 -9.078 13.812 1.023 1.00 71.51 C ATOM 1320 CG GLU A 91 -10.514 13.321 1.269 1.00 51.44 C ATOM 1321 CD GLU A 91 -11.519 14.029 0.341 1.00 71.43 C ATOM 1322 OE1 GLU A 91 -11.593 13.741 -0.881 1.00 14.32 O ATOM 1323 OE2 GLU A 91 -12.253 14.916 0.847 1.00 50.32 O ATOM 0 H GLU A 91 -8.561 11.690 2.188 1.00 3.34 H new ATOM 0 HA GLU A 91 -7.110 14.131 1.883 1.00 44.01 H new ATOM 0 HB2 GLU A 91 -9.130 14.855 0.711 1.00 71.51 H new ATOM 0 HB3 GLU A 91 -8.671 13.248 0.183 1.00 71.51 H new ATOM 0 HG2 GLU A 91 -10.564 12.244 1.108 1.00 51.44 H new ATOM 0 HG3 GLU A 91 -10.788 13.501 2.309 1.00 51.44 H new ATOM 1328 N LYS A 92 -8.399 14.078 4.613 1.00 21.11 N ATOM 1329 CA LYS A 92 -9.147 14.564 5.768 1.00 0.24 C ATOM 1330 C LYS A 92 -8.213 15.192 6.778 1.00 22.41 C ATOM 1331 O LYS A 92 -8.163 16.416 6.906 1.00 51.02 O ATOM 1332 CB LYS A 92 -10.039 13.444 6.333 1.00 10.14 C ATOM 1333 CG LYS A 92 -11.044 12.959 5.272 1.00 44.02 C ATOM 1334 CD LYS A 92 -12.219 12.178 5.872 1.00 72.21 C ATOM 1335 CE LYS A 92 -13.363 12.132 4.857 1.00 32.44 C ATOM 1336 NZ LYS A 92 -14.572 11.472 5.387 1.00 11.12 N ATOM 0 H LYS A 92 -7.752 13.321 4.836 1.00 21.11 H new ATOM 0 HA LYS A 92 -9.827 15.361 5.467 1.00 0.24 H new ATOM 0 HB2 LYS A 92 -9.419 12.610 6.662 1.00 10.14 H new ATOM 0 HB3 LYS A 92 -10.575 13.807 7.210 1.00 10.14 H new ATOM 0 HG2 LYS A 92 -11.429 13.819 4.724 1.00 44.02 H new ATOM 0 HG3 LYS A 92 -10.526 12.327 4.551 1.00 44.02 H new ATOM 0 HD2 LYS A 92 -11.905 11.167 6.130 1.00 72.21 H new ATOM 0 HD3 LYS A 92 -12.554 12.653 6.794 1.00 72.21 H new ATOM 0 HE2 LYS A 92 -13.613 13.148 4.552 1.00 32.44 H new ATOM 0 HE3 LYS A 92 -13.029 11.605 3.964 1.00 32.44 H new ATOM 0 HZ1 LYS A 92 -15.314 11.469 4.658 1.00 11.12 H new ATOM 0 HZ2 LYS A 92 -14.344 10.493 5.653 1.00 11.12 H new ATOM 0 HZ3 LYS A 92 -14.911 11.988 6.224 1.00 11.12 H new ATOM 1346 N ASN A 93 -7.470 14.348 7.474 1.00 74.54 N ATOM 1347 CA ASN A 93 -6.563 14.680 8.564 1.00 53.04 C ATOM 1348 C ASN A 93 -7.239 15.565 9.611 1.00 60.33 C ATOM 1349 O ASN A 93 -6.854 16.720 9.790 1.00 22.31 O ATOM 1350 CB ASN A 93 -5.283 15.313 7.988 1.00 55.03 C ATOM 1351 CG ASN A 93 -4.137 15.326 8.979 1.00 44.41 C ATOM 1352 OD1 ASN A 93 -3.458 16.328 9.185 1.00 44.41 O ATOM 1353 ND2 ASN A 93 -3.822 14.181 9.555 1.00 43.01 N ATOM 0 H ASN A 93 -7.484 13.346 7.281 1.00 74.54 H new ATOM 0 HA ASN A 93 -6.283 13.766 9.088 1.00 53.04 H new ATOM 0 HB2 ASN A 93 -4.980 14.763 7.097 1.00 55.03 H new ATOM 0 HB3 ASN A 93 -5.498 16.335 7.674 1.00 55.03 H new ATOM 0 HD21 ASN A 93 -3.013 14.127 10.173 1.00 43.01 H new ATOM 0 HD22 ASN A 93 -4.388 13.350 9.382 1.00 43.01 H new ATOM 1359 N ARG A 94 -8.269 15.052 10.290 1.00 40.33 N ATOM 1360 CA ARG A 94 -9.075 15.839 11.226 1.00 3.30 C ATOM 1361 C ARG A 94 -9.237 15.134 12.548 1.00 51.11 C ATOM 1362 O ARG A 94 -9.079 13.894 12.621 1.00 44.35 O ATOM 1363 CB ARG A 94 -10.444 16.195 10.620 1.00 45.15 C ATOM 1364 CG ARG A 94 -10.277 17.091 9.390 1.00 53.13 C ATOM 1365 CD ARG A 94 -11.543 17.844 8.996 1.00 34.24 C ATOM 1366 NE ARG A 94 -11.220 18.888 8.015 1.00 24.23 N ATOM 1367 CZ ARG A 94 -12.071 19.545 7.225 1.00 12.21 C ATOM 1368 NH1 ARG A 94 -13.367 19.251 7.195 1.00 42.13 N ATOM 1369 NH2 ARG A 94 -11.613 20.492 6.422 1.00 75.54 N ATOM 0 H ARG A 94 -8.567 14.080 10.206 1.00 40.33 H new ATOM 0 HA ARG A 94 -8.538 16.769 11.413 1.00 3.30 H new ATOM 0 HB2 ARG A 94 -10.972 15.283 10.342 1.00 45.15 H new ATOM 0 HB3 ARG A 94 -11.056 16.703 11.365 1.00 45.15 H new ATOM 0 HG2 ARG A 94 -9.483 17.812 9.583 1.00 53.13 H new ATOM 0 HG3 ARG A 94 -9.954 16.479 8.548 1.00 53.13 H new ATOM 0 HD2 ARG A 94 -12.272 17.151 8.576 1.00 34.24 H new ATOM 0 HD3 ARG A 94 -12.000 18.291 9.879 1.00 34.24 H new ATOM 0 HE ARG A 94 -10.235 19.139 7.928 1.00 24.23 H new ATOM 0 HH11 ARG A 94 -13.735 18.506 7.786 1.00 42.13 H new ATOM 0 HH12 ARG A 94 -13.994 19.771 6.581 1.00 42.13 H new ATOM 0 HH21 ARG A 94 -10.617 20.714 6.411 1.00 75.54 H new ATOM 0 HH22 ARG A 94 -12.256 21.000 5.814 1.00 75.54 H new TER 1380 ARG A 94