USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 590 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 49 GLN : amide:sc= 0.362 K(o=0.25,f=-1.3) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.112 X(o=0.25,f=0.48) USER MOD Set 2.1: A 35 TYR OH : rot 150:sc=-0.00499 USER MOD Set 2.2: A 39 HIS : no HE2:sc= -6.45! C(o=-6.5!,f=-16!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 15:sc= -1.18 USER MOD Single : A 8 THR OG1 : rot -103:sc= 0.12 USER MOD Single : A 13 GLN : amide:sc= -0.096 K(o=-0.096,f=-1.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -5.03 K(o=-5,f=-6.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 16:sc= 0.00226 USER MOD Single : A 21 THR OG1 : rot -34:sc= 0.912 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.505 X(o=-0.51,f=-0.25) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -172:sc= -0.431 USER MOD Single : A 33 THR OG1 : rot 129:sc= 1.73 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 40:sc= -0.189 USER MOD Single : A 63 HIS : no HE2:sc= -14.5! C(o=-15!,f=-19!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -73:sc= 0.827 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -80:sc= -1.18 USER MOD Single : A 80 HIS : no HD1:sc= -0.0681 X(o=-0.068,f=0) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 5 2.746 3.029 -8.554 1.00 0.00 N ATOM 18 CA LYS A 5 1.883 4.171 -8.803 1.00 0.00 C ATOM 19 C LYS A 5 2.070 4.641 -10.247 1.00 0.00 C ATOM 20 O LYS A 5 3.178 4.988 -10.652 1.00 0.00 O ATOM 21 CB LYS A 5 2.130 5.267 -7.764 1.00 0.00 C ATOM 22 CG LYS A 5 1.027 5.275 -6.703 1.00 0.00 C ATOM 23 CD LYS A 5 -0.134 6.177 -7.126 1.00 0.00 C ATOM 24 CE LYS A 5 -0.939 5.538 -8.260 1.00 0.00 C ATOM 25 NZ LYS A 5 -2.226 6.246 -8.444 1.00 0.00 N ATOM 0 HA LYS A 5 0.836 3.888 -8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.097 5.110 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.172 6.238 -8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.664 4.260 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.434 5.621 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.786 6.362 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.251 7.144 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.364 5.570 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.124 4.487 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.760 5.800 -9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.780 6.194 -7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.044 7.242 -8.679 1.00 0.00 H new ATOM 39 N TYR A 6 0.969 4.636 -10.984 1.00 0.00 N ATOM 40 CA TYR A 6 0.997 5.056 -12.374 1.00 0.00 C ATOM 41 C TYR A 6 0.470 6.485 -12.526 1.00 0.00 C ATOM 42 O TYR A 6 -0.738 6.714 -12.467 1.00 0.00 O ATOM 43 CB TYR A 6 0.067 4.101 -13.124 1.00 0.00 C ATOM 44 CG TYR A 6 0.522 2.640 -13.096 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.816 2.314 -13.451 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.359 1.650 -12.715 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.245 0.939 -13.425 1.00 0.00 C ATOM 48 CE2 TYR A 6 0.070 0.275 -12.689 1.00 0.00 C ATOM 49 CZ TYR A 6 1.350 -0.013 -13.044 1.00 0.00 C ATOM 50 OH TYR A 6 1.756 -1.310 -13.020 1.00 0.00 O ATOM 0 H TYR A 6 0.052 4.348 -10.644 1.00 0.00 H new ATOM 0 HA TYR A 6 2.016 5.035 -12.759 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.931 4.168 -12.692 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.012 4.427 -14.161 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.506 3.090 -13.748 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.371 1.905 -12.436 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.254 0.670 -13.701 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.611 -0.510 -12.394 1.00 0.00 H new ATOM 0 HH TYR A 6 1.014 -1.880 -12.728 1.00 0.00 H new ATOM 60 N TYR A 7 1.401 7.408 -12.718 1.00 0.00 N ATOM 61 CA TYR A 7 1.044 8.808 -12.878 1.00 0.00 C ATOM 62 C TYR A 7 0.853 9.159 -14.355 1.00 0.00 C ATOM 63 O TYR A 7 1.536 8.614 -15.220 1.00 0.00 O ATOM 64 CB TYR A 7 2.224 9.609 -12.325 1.00 0.00 C ATOM 65 CG TYR A 7 2.745 9.100 -10.979 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.893 9.013 -9.897 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.067 8.726 -10.848 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.384 8.534 -8.631 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.558 8.246 -9.583 1.00 0.00 C ATOM 70 CZ TYR A 7 3.693 8.174 -8.536 1.00 0.00 C ATOM 71 OH TYR A 7 4.156 7.721 -7.341 1.00 0.00 O ATOM 0 H TYR A 7 2.401 7.214 -12.766 1.00 0.00 H new ATOM 0 HA TYR A 7 0.110 9.028 -12.361 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.037 9.586 -13.050 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.924 10.651 -12.216 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.858 9.304 -10.000 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.733 8.794 -11.695 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.728 8.462 -7.776 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.590 7.950 -9.468 1.00 0.00 H new ATOM 0 HH TYR A 7 3.399 7.497 -6.761 1.00 0.00 H new ATOM 81 N THR A 8 -0.079 10.068 -14.598 1.00 0.00 N ATOM 82 CA THR A 8 -0.369 10.500 -15.955 1.00 0.00 C ATOM 83 C THR A 8 0.773 11.363 -16.496 1.00 0.00 C ATOM 84 O THR A 8 1.410 12.098 -15.744 1.00 0.00 O ATOM 85 CB THR A 8 -1.720 11.217 -15.946 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.744 11.896 -14.693 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.898 10.244 -15.865 1.00 0.00 C ATOM 0 H THR A 8 -0.644 10.518 -13.878 1.00 0.00 H new ATOM 0 HA THR A 8 -0.441 9.649 -16.633 1.00 0.00 H new ATOM 0 HB THR A 8 -1.814 11.827 -16.845 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.319 11.408 -14.067 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.833 10.804 -15.862 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.878 9.576 -16.726 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.823 9.658 -14.949 1.00 0.00 H new ATOM 95 N LEU A 9 0.997 11.246 -17.796 1.00 0.00 N ATOM 96 CA LEU A 9 2.051 12.005 -18.447 1.00 0.00 C ATOM 97 C LEU A 9 1.882 13.489 -18.114 1.00 0.00 C ATOM 98 O LEU A 9 2.817 14.274 -18.269 1.00 0.00 O ATOM 99 CB LEU A 9 2.076 11.711 -19.948 1.00 0.00 C ATOM 100 CG LEU A 9 1.427 12.763 -20.849 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.871 12.589 -22.303 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.096 12.743 -20.708 1.00 0.00 C ATOM 0 H LEU A 9 0.466 10.636 -18.417 1.00 0.00 H new ATOM 0 HA LEU A 9 3.028 11.701 -18.071 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.114 11.588 -20.257 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.577 10.757 -20.119 1.00 0.00 H new ATOM 0 HG LEU A 9 1.767 13.747 -20.524 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.395 13.349 -22.922 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.954 12.694 -22.368 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.581 11.600 -22.656 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.532 13.501 -21.359 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.475 11.761 -20.990 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.368 12.954 -19.674 1.00 0.00 H new ATOM 114 N GLU A 10 0.683 13.830 -17.664 1.00 0.00 N ATOM 115 CA GLU A 10 0.380 15.206 -17.308 1.00 0.00 C ATOM 116 C GLU A 10 1.116 15.596 -16.025 1.00 0.00 C ATOM 117 O GLU A 10 1.632 16.708 -15.915 1.00 0.00 O ATOM 118 CB GLU A 10 -1.127 15.415 -17.161 1.00 0.00 C ATOM 119 CG GLU A 10 -1.695 16.179 -18.359 1.00 0.00 C ATOM 120 CD GLU A 10 -2.044 17.618 -17.975 1.00 0.00 C ATOM 121 OE1 GLU A 10 -2.944 17.776 -17.122 1.00 0.00 O ATOM 122 OE2 GLU A 10 -1.405 18.528 -18.546 1.00 0.00 O ATOM 0 H GLU A 10 -0.090 13.177 -17.538 1.00 0.00 H new ATOM 0 HA GLU A 10 0.726 15.854 -18.113 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.625 14.449 -17.072 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.333 15.966 -16.243 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.968 16.182 -19.171 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.586 15.671 -18.730 1.00 0.00 H new ATOM 129 N GLU A 11 1.142 14.661 -15.087 1.00 0.00 N ATOM 130 CA GLU A 11 1.806 14.894 -13.816 1.00 0.00 C ATOM 131 C GLU A 11 3.210 15.457 -14.045 1.00 0.00 C ATOM 132 O GLU A 11 3.462 16.633 -13.781 1.00 0.00 O ATOM 133 CB GLU A 11 1.860 13.612 -12.982 1.00 0.00 C ATOM 134 CG GLU A 11 1.249 13.832 -11.597 1.00 0.00 C ATOM 135 CD GLU A 11 0.002 12.968 -11.404 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.012 11.856 -11.974 1.00 0.00 O ATOM 137 OE2 GLU A 11 -0.911 13.439 -10.690 1.00 0.00 O ATOM 0 H GLU A 11 0.714 13.740 -15.182 1.00 0.00 H new ATOM 0 HA GLU A 11 1.227 15.629 -13.257 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.323 12.816 -13.498 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.894 13.284 -12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.984 13.592 -10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.990 14.883 -11.473 1.00 0.00 H new ATOM 144 N ILE A 12 4.088 14.593 -14.534 1.00 0.00 N ATOM 145 CA ILE A 12 5.459 14.991 -14.803 1.00 0.00 C ATOM 146 C ILE A 12 5.487 16.463 -15.218 1.00 0.00 C ATOM 147 O ILE A 12 6.196 17.268 -14.615 1.00 0.00 O ATOM 148 CB ILE A 12 6.098 14.051 -15.827 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.031 13.255 -16.582 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.132 13.139 -15.164 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.768 11.910 -15.903 1.00 0.00 C ATOM 0 H ILE A 12 3.876 13.619 -14.751 1.00 0.00 H new ATOM 0 HA ILE A 12 6.065 14.903 -13.901 1.00 0.00 H new ATOM 0 HB ILE A 12 6.628 14.657 -16.562 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.107 13.831 -16.627 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.354 13.091 -17.610 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.571 12.481 -15.914 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.916 13.746 -14.711 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.647 12.539 -14.394 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.006 11.364 -16.459 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.689 11.327 -15.882 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.422 12.079 -14.883 1.00 0.00 H new ATOM 163 N GLN A 13 4.707 16.771 -16.243 1.00 0.00 N ATOM 164 CA GLN A 13 4.633 18.133 -16.745 1.00 0.00 C ATOM 165 C GLN A 13 4.411 19.113 -15.591 1.00 0.00 C ATOM 166 O GLN A 13 5.187 20.051 -15.411 1.00 0.00 O ATOM 167 CB GLN A 13 3.535 18.270 -17.801 1.00 0.00 C ATOM 168 CG GLN A 13 3.855 17.429 -19.038 1.00 0.00 C ATOM 169 CD GLN A 13 4.523 18.279 -20.121 1.00 0.00 C ATOM 170 OE1 GLN A 13 4.987 19.381 -19.882 1.00 0.00 O ATOM 171 NE2 GLN A 13 4.545 17.705 -21.321 1.00 0.00 N ATOM 0 H GLN A 13 4.120 16.101 -16.740 1.00 0.00 H new ATOM 0 HA GLN A 13 5.582 18.375 -17.223 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.580 17.955 -17.380 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.429 19.317 -18.086 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.512 16.604 -18.761 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.938 16.989 -19.430 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.138 16.779 -21.451 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.969 18.191 -22.111 1.00 0.00 H new ATOM 180 N LYS A 14 3.349 18.862 -14.841 1.00 0.00 N ATOM 181 CA LYS A 14 3.015 19.710 -13.709 1.00 0.00 C ATOM 182 C LYS A 14 4.259 19.909 -12.842 1.00 0.00 C ATOM 183 O LYS A 14 4.461 20.983 -12.276 1.00 0.00 O ATOM 184 CB LYS A 14 1.817 19.140 -12.947 1.00 0.00 C ATOM 185 CG LYS A 14 0.614 18.957 -13.874 1.00 0.00 C ATOM 186 CD LYS A 14 0.319 20.243 -14.648 1.00 0.00 C ATOM 187 CE LYS A 14 -1.022 20.146 -15.380 1.00 0.00 C ATOM 188 NZ LYS A 14 -1.392 21.456 -15.960 1.00 0.00 N ATOM 0 H LYS A 14 2.708 18.083 -14.995 1.00 0.00 H new ATOM 0 HA LYS A 14 2.704 20.697 -14.051 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.087 18.182 -12.502 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.551 19.808 -12.128 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.809 18.144 -14.573 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.260 18.671 -13.289 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.302 21.089 -13.961 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.117 20.431 -15.366 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.959 19.397 -16.169 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.797 19.816 -14.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.304 21.372 -16.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.472 22.162 -15.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.660 21.756 -16.635 1.00 0.00 H new ATOM 202 N HIS A 15 5.062 18.857 -12.764 1.00 0.00 N ATOM 203 CA HIS A 15 6.280 18.903 -11.974 1.00 0.00 C ATOM 204 C HIS A 15 7.444 19.367 -12.853 1.00 0.00 C ATOM 205 O HIS A 15 8.464 18.686 -12.950 1.00 0.00 O ATOM 206 CB HIS A 15 6.544 17.553 -11.305 1.00 0.00 C ATOM 207 CG HIS A 15 5.293 16.772 -10.983 1.00 0.00 C ATOM 208 ND1 HIS A 15 4.266 17.285 -10.210 1.00 0.00 N ATOM 209 CD2 HIS A 15 4.914 15.510 -11.339 1.00 0.00 C ATOM 210 CE1 HIS A 15 3.318 16.366 -10.111 1.00 0.00 C ATOM 211 NE2 HIS A 15 3.721 15.266 -10.810 1.00 0.00 N ATOM 0 H HIS A 15 4.892 17.968 -13.235 1.00 0.00 H new ATOM 0 HA HIS A 15 6.168 19.627 -11.167 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.177 16.953 -11.959 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.104 17.719 -10.384 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.243 18.213 -9.788 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.487 14.826 -11.948 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.388 16.469 -9.571 1.00 0.00 H new ATOM 219 N LYS A 16 7.252 20.523 -13.471 1.00 0.00 N ATOM 220 CA LYS A 16 8.273 21.086 -14.339 1.00 0.00 C ATOM 221 C LYS A 16 8.893 22.309 -13.663 1.00 0.00 C ATOM 222 O LYS A 16 9.411 23.200 -14.335 1.00 0.00 O ATOM 223 CB LYS A 16 7.697 21.376 -15.726 1.00 0.00 C ATOM 224 CG LYS A 16 8.788 21.862 -16.683 1.00 0.00 C ATOM 225 CD LYS A 16 8.393 23.190 -17.334 1.00 0.00 C ATOM 226 CE LYS A 16 9.573 24.164 -17.350 1.00 0.00 C ATOM 227 NZ LYS A 16 10.378 23.983 -18.578 1.00 0.00 N ATOM 0 H LYS A 16 6.405 21.085 -13.388 1.00 0.00 H new ATOM 0 HA LYS A 16 9.077 20.367 -14.497 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.232 20.475 -16.126 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.914 22.131 -15.648 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.725 21.983 -16.140 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.961 21.112 -17.454 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.050 23.012 -18.353 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.559 23.632 -16.789 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.207 25.189 -17.296 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.198 24.002 -16.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.175 24.652 -18.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.743 23.010 -18.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.783 24.160 -19.412 1.00 0.00 H new ATOM 241 N ASP A 17 8.819 22.315 -12.339 1.00 0.00 N ATOM 242 CA ASP A 17 9.367 23.415 -11.564 1.00 0.00 C ATOM 243 C ASP A 17 10.149 22.856 -10.375 1.00 0.00 C ATOM 244 O ASP A 17 10.002 21.685 -10.026 1.00 0.00 O ATOM 245 CB ASP A 17 8.254 24.312 -11.018 1.00 0.00 C ATOM 246 CG ASP A 17 6.972 23.581 -10.616 1.00 0.00 C ATOM 247 OD1 ASP A 17 7.004 22.921 -9.555 1.00 0.00 O ATOM 248 OD2 ASP A 17 5.989 23.696 -11.380 1.00 0.00 O ATOM 0 H ASP A 17 8.388 21.576 -11.784 1.00 0.00 H new ATOM 0 HA ASP A 17 10.013 24.000 -12.219 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.635 24.850 -10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.007 25.059 -11.773 1.00 0.00 H new ATOM 253 N SER A 18 10.964 23.717 -9.784 1.00 0.00 N ATOM 254 CA SER A 18 11.770 23.325 -8.641 1.00 0.00 C ATOM 255 C SER A 18 10.885 22.672 -7.577 1.00 0.00 C ATOM 256 O SER A 18 11.189 21.581 -7.096 1.00 0.00 O ATOM 257 CB SER A 18 12.512 24.525 -8.051 1.00 0.00 C ATOM 258 OG SER A 18 13.875 24.566 -8.465 1.00 0.00 O ATOM 0 H SER A 18 11.083 24.687 -10.076 1.00 0.00 H new ATOM 0 HA SER A 18 12.514 22.604 -8.979 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.013 25.445 -8.355 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.465 24.481 -6.963 1.00 0.00 H new ATOM 0 HG SER A 18 14.314 25.347 -8.069 1.00 0.00 H new ATOM 264 N LYS A 19 9.808 23.367 -7.240 1.00 0.00 N ATOM 265 CA LYS A 19 8.877 22.868 -6.243 1.00 0.00 C ATOM 266 C LYS A 19 8.691 21.361 -6.433 1.00 0.00 C ATOM 267 O LYS A 19 8.821 20.591 -5.483 1.00 0.00 O ATOM 268 CB LYS A 19 7.570 23.661 -6.287 1.00 0.00 C ATOM 269 CG LYS A 19 7.798 25.118 -5.880 1.00 0.00 C ATOM 270 CD LYS A 19 7.819 25.266 -4.358 1.00 0.00 C ATOM 271 CE LYS A 19 7.296 26.640 -3.933 1.00 0.00 C ATOM 272 NZ LYS A 19 6.418 26.517 -2.748 1.00 0.00 N ATOM 0 H LYS A 19 9.560 24.272 -7.640 1.00 0.00 H new ATOM 0 HA LYS A 19 9.278 23.015 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.151 23.622 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.840 23.203 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.741 25.472 -6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.010 25.744 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.209 24.485 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.836 25.130 -3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.133 27.300 -3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.745 27.096 -4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.072 27.458 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.610 25.904 -2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.955 26.102 -1.960 1.00 0.00 H new ATOM 286 N SER A 20 8.387 20.987 -7.667 1.00 0.00 N ATOM 287 CA SER A 20 8.181 19.586 -7.995 1.00 0.00 C ATOM 288 C SER A 20 8.806 19.269 -9.355 1.00 0.00 C ATOM 289 O SER A 20 8.234 19.588 -10.396 1.00 0.00 O ATOM 290 CB SER A 20 6.692 19.236 -8.001 1.00 0.00 C ATOM 291 OG SER A 20 6.177 19.070 -6.683 1.00 0.00 O ATOM 0 H SER A 20 8.278 21.629 -8.452 1.00 0.00 H new ATOM 0 HA SER A 20 8.666 18.981 -7.230 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.137 20.023 -8.511 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.538 18.318 -8.569 1.00 0.00 H new ATOM 0 HG SER A 20 6.802 19.458 -6.036 1.00 0.00 H new ATOM 297 N THR A 21 9.974 18.644 -9.301 1.00 0.00 N ATOM 298 CA THR A 21 10.683 18.280 -10.516 1.00 0.00 C ATOM 299 C THR A 21 10.715 16.759 -10.680 1.00 0.00 C ATOM 300 O THR A 21 11.304 16.055 -9.862 1.00 0.00 O ATOM 301 CB THR A 21 12.075 18.913 -10.458 1.00 0.00 C ATOM 302 OG1 THR A 21 11.857 20.175 -9.833 1.00 0.00 O ATOM 303 CG2 THR A 21 12.613 19.273 -11.845 1.00 0.00 C ATOM 0 H THR A 21 10.446 18.381 -8.436 1.00 0.00 H new ATOM 0 HA THR A 21 10.172 18.661 -11.401 1.00 0.00 H new ATOM 0 HB THR A 21 12.765 18.227 -9.967 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.981 20.525 -10.100 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.603 19.719 -11.747 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.679 18.372 -12.455 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.940 19.985 -12.323 1.00 0.00 H new ATOM 311 N TRP A 22 10.072 16.297 -11.742 1.00 0.00 N ATOM 312 CA TRP A 22 10.019 14.873 -12.025 1.00 0.00 C ATOM 313 C TRP A 22 10.760 14.623 -13.339 1.00 0.00 C ATOM 314 O TRP A 22 11.003 15.554 -14.106 1.00 0.00 O ATOM 315 CB TRP A 22 8.573 14.373 -12.050 1.00 0.00 C ATOM 316 CG TRP A 22 8.045 13.926 -10.685 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.567 14.176 -9.476 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.862 13.138 -10.436 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.811 13.608 -8.471 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.741 12.956 -9.074 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.925 12.596 -11.333 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.697 12.232 -8.486 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.887 11.874 -10.730 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.751 11.683 -9.360 1.00 0.00 C ATOM 0 H TRP A 22 9.583 16.884 -12.417 1.00 0.00 H new ATOM 0 HA TRP A 22 10.511 14.305 -11.235 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.932 15.166 -12.434 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.500 13.538 -12.747 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.467 14.750 -9.309 1.00 0.00 H new ATOM 0 HE1 TRP A 22 8.002 13.657 -7.470 1.00 0.00 H new ATOM 0 HE3 TRP A 22 6.000 12.726 -12.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.625 12.104 -7.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.140 11.435 -11.375 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.919 11.114 -8.971 1.00 0.00 H new ATOM 335 N VAL A 23 11.099 13.361 -13.559 1.00 0.00 N ATOM 336 CA VAL A 23 11.808 12.977 -14.768 1.00 0.00 C ATOM 337 C VAL A 23 11.598 11.483 -15.024 1.00 0.00 C ATOM 338 O VAL A 23 11.881 10.656 -14.159 1.00 0.00 O ATOM 339 CB VAL A 23 13.284 13.362 -14.654 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.924 12.725 -13.418 1.00 0.00 C ATOM 341 CG2 VAL A 23 14.050 12.984 -15.924 1.00 0.00 C ATOM 0 H VAL A 23 10.896 12.592 -12.921 1.00 0.00 H new ATOM 0 HA VAL A 23 11.412 13.514 -15.630 1.00 0.00 H new ATOM 0 HB VAL A 23 13.339 14.445 -14.539 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.973 13.015 -13.361 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.404 13.066 -12.523 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.851 11.640 -13.489 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.097 13.269 -15.816 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.981 11.908 -16.084 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.618 13.506 -16.778 1.00 0.00 H new ATOM 351 N ILE A 24 11.105 11.184 -16.217 1.00 0.00 N ATOM 352 CA ILE A 24 10.854 9.804 -16.598 1.00 0.00 C ATOM 353 C ILE A 24 12.189 9.088 -16.814 1.00 0.00 C ATOM 354 O ILE A 24 12.996 9.509 -17.641 1.00 0.00 O ATOM 355 CB ILE A 24 9.921 9.744 -17.808 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.641 10.542 -17.554 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.624 8.295 -18.201 1.00 0.00 C ATOM 358 CD1 ILE A 24 8.012 11.003 -18.870 1.00 0.00 C ATOM 0 H ILE A 24 10.873 11.873 -16.932 1.00 0.00 H new ATOM 0 HA ILE A 24 10.335 9.276 -15.798 1.00 0.00 H new ATOM 0 HB ILE A 24 10.428 10.209 -18.653 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.929 9.928 -17.002 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.866 11.408 -16.931 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.958 8.281 -19.064 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.555 7.788 -18.453 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.146 7.782 -17.366 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.104 11.568 -18.661 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.717 11.636 -19.408 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.766 10.134 -19.480 1.00 0.00 H new ATOM 370 N LEU A 25 12.380 8.019 -16.057 1.00 0.00 N ATOM 371 CA LEU A 25 13.604 7.241 -16.155 1.00 0.00 C ATOM 372 C LEU A 25 13.252 5.754 -16.237 1.00 0.00 C ATOM 373 O LEU A 25 12.433 5.262 -15.463 1.00 0.00 O ATOM 374 CB LEU A 25 14.552 7.585 -15.005 1.00 0.00 C ATOM 375 CG LEU A 25 15.724 8.504 -15.353 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.257 9.693 -16.195 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.466 8.950 -14.092 1.00 0.00 C ATOM 0 H LEU A 25 11.708 7.672 -15.372 1.00 0.00 H new ATOM 0 HA LEU A 25 14.143 7.493 -17.068 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.972 8.054 -14.210 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.953 6.656 -14.601 1.00 0.00 H new ATOM 0 HG LEU A 25 16.432 7.939 -15.959 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.110 10.331 -16.429 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.811 9.330 -17.121 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.517 10.266 -15.636 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.294 9.602 -14.369 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.781 9.491 -13.439 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.852 8.075 -13.569 1.00 0.00 H new ATOM 389 N HIS A 26 13.889 5.080 -17.184 1.00 0.00 N ATOM 390 CA HIS A 26 13.653 3.660 -17.379 1.00 0.00 C ATOM 391 C HIS A 26 12.175 3.347 -17.136 1.00 0.00 C ATOM 392 O HIS A 26 11.843 2.320 -16.545 1.00 0.00 O ATOM 393 CB HIS A 26 14.587 2.828 -16.498 1.00 0.00 C ATOM 394 CG HIS A 26 16.029 3.275 -16.540 1.00 0.00 C ATOM 395 ND1 HIS A 26 16.737 3.632 -15.406 1.00 0.00 N ATOM 396 CD2 HIS A 26 16.888 3.415 -17.591 1.00 0.00 C ATOM 397 CE1 HIS A 26 17.966 3.973 -15.770 1.00 0.00 C ATOM 398 NE2 HIS A 26 18.056 3.838 -17.124 1.00 0.00 N ATOM 0 H HIS A 26 14.568 5.491 -17.824 1.00 0.00 H new ATOM 0 HA HIS A 26 13.882 3.388 -18.409 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.233 2.872 -15.468 1.00 0.00 H new ATOM 0 HB3 HIS A 26 14.531 1.785 -16.810 1.00 0.00 H new ATOM 0 HD2 HIS A 26 16.657 3.215 -18.627 1.00 0.00 H new ATOM 0 HE1 HIS A 26 18.756 4.300 -15.110 1.00 0.00 H new ATOM 0 HE2 HIS A 26 18.885 4.031 -17.686 1.00 0.00 H new ATOM 406 N HIS A 27 11.327 4.250 -17.606 1.00 0.00 N ATOM 407 CA HIS A 27 9.893 4.082 -17.448 1.00 0.00 C ATOM 408 C HIS A 27 9.516 4.250 -15.974 1.00 0.00 C ATOM 409 O HIS A 27 8.836 3.398 -15.403 1.00 0.00 O ATOM 410 CB HIS A 27 9.433 2.743 -18.029 1.00 0.00 C ATOM 411 CG HIS A 27 8.864 2.842 -19.424 1.00 0.00 C ATOM 412 ND1 HIS A 27 8.728 1.746 -20.257 1.00 0.00 N ATOM 413 CD2 HIS A 27 8.397 3.917 -20.121 1.00 0.00 C ATOM 414 CE1 HIS A 27 8.201 2.154 -21.403 1.00 0.00 C ATOM 415 NE2 HIS A 27 7.998 3.500 -21.316 1.00 0.00 N ATOM 0 H HIS A 27 11.606 5.100 -18.096 1.00 0.00 H new ATOM 0 HA HIS A 27 9.370 4.854 -18.012 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.278 2.054 -18.040 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.679 2.312 -17.370 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.358 4.935 -19.762 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.973 1.531 -22.255 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.604 4.089 -22.049 1.00 0.00 H new ATOM 423 N LYS A 28 9.975 5.352 -15.401 1.00 0.00 N ATOM 424 CA LYS A 28 9.694 5.642 -14.005 1.00 0.00 C ATOM 425 C LYS A 28 10.131 7.073 -13.688 1.00 0.00 C ATOM 426 O LYS A 28 11.246 7.474 -14.018 1.00 0.00 O ATOM 427 CB LYS A 28 10.336 4.588 -13.100 1.00 0.00 C ATOM 428 CG LYS A 28 11.817 4.893 -12.868 1.00 0.00 C ATOM 429 CD LYS A 28 12.692 3.707 -13.275 1.00 0.00 C ATOM 430 CE LYS A 28 13.341 3.058 -12.051 1.00 0.00 C ATOM 431 NZ LYS A 28 13.330 1.583 -12.178 1.00 0.00 N ATOM 0 H LYS A 28 10.540 6.055 -15.878 1.00 0.00 H new ATOM 0 HA LYS A 28 8.623 5.586 -13.812 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.813 4.557 -12.144 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.231 3.602 -13.553 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.104 5.775 -13.441 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.983 5.128 -11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.088 2.970 -13.804 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.465 4.042 -13.966 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.366 3.412 -11.945 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.807 3.355 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.774 1.159 -11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.348 1.249 -12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.860 1.304 -13.028 1.00 0.00 H new ATOM 445 N VAL A 29 9.229 7.806 -13.050 1.00 0.00 N ATOM 446 CA VAL A 29 9.507 9.184 -12.685 1.00 0.00 C ATOM 447 C VAL A 29 10.417 9.208 -11.456 1.00 0.00 C ATOM 448 O VAL A 29 10.279 8.375 -10.561 1.00 0.00 O ATOM 449 CB VAL A 29 8.196 9.944 -12.473 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.291 9.829 -13.701 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.477 9.457 -11.214 1.00 0.00 C ATOM 0 H VAL A 29 8.305 7.471 -12.777 1.00 0.00 H new ATOM 0 HA VAL A 29 10.036 9.693 -13.491 1.00 0.00 H new ATOM 0 HB VAL A 29 8.438 10.997 -12.333 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.366 10.378 -13.524 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.801 10.247 -14.569 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.060 8.780 -13.886 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.548 10.014 -11.087 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.253 8.395 -11.311 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.117 9.615 -10.346 1.00 0.00 H new ATOM 461 N TYR A 30 11.328 10.170 -11.451 1.00 0.00 N ATOM 462 CA TYR A 30 12.261 10.312 -10.345 1.00 0.00 C ATOM 463 C TYR A 30 12.083 11.664 -9.650 1.00 0.00 C ATOM 464 O TYR A 30 12.501 12.696 -10.174 1.00 0.00 O ATOM 465 CB TYR A 30 13.659 10.249 -10.963 1.00 0.00 C ATOM 466 CG TYR A 30 14.256 8.842 -11.008 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.462 7.747 -10.737 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.589 8.668 -11.320 1.00 0.00 C ATOM 469 CE1 TYR A 30 14.025 6.422 -10.779 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.152 7.343 -11.362 1.00 0.00 C ATOM 471 CZ TYR A 30 15.342 6.285 -11.090 1.00 0.00 C ATOM 472 OH TYR A 30 15.873 5.034 -11.130 1.00 0.00 O ATOM 0 H TYR A 30 11.440 10.859 -12.195 1.00 0.00 H new ATOM 0 HA TYR A 30 12.098 9.532 -9.601 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.615 10.647 -11.977 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.326 10.898 -10.395 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.419 7.883 -10.493 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.210 9.526 -11.533 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.415 5.556 -10.568 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.194 7.193 -11.604 1.00 0.00 H new ATOM 0 HH TYR A 30 16.845 5.095 -11.239 1.00 0.00 H new ATOM 482 N ASP A 31 11.464 11.614 -8.479 1.00 0.00 N ATOM 483 CA ASP A 31 11.227 12.822 -7.707 1.00 0.00 C ATOM 484 C ASP A 31 12.546 13.301 -7.100 1.00 0.00 C ATOM 485 O ASP A 31 12.820 13.054 -5.925 1.00 0.00 O ATOM 486 CB ASP A 31 10.247 12.559 -6.562 1.00 0.00 C ATOM 487 CG ASP A 31 9.838 13.798 -5.763 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.900 14.899 -6.352 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.473 13.617 -4.581 1.00 0.00 O ATOM 0 H ASP A 31 11.120 10.757 -8.047 1.00 0.00 H new ATOM 0 HA ASP A 31 10.807 13.573 -8.376 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.349 12.097 -6.972 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.695 11.837 -5.879 1.00 0.00 H new ATOM 494 N LEU A 32 13.330 13.977 -7.926 1.00 0.00 N ATOM 495 CA LEU A 32 14.615 14.493 -7.485 1.00 0.00 C ATOM 496 C LEU A 32 14.470 15.974 -7.128 1.00 0.00 C ATOM 497 O LEU A 32 15.427 16.738 -7.231 1.00 0.00 O ATOM 498 CB LEU A 32 15.692 14.217 -8.536 1.00 0.00 C ATOM 499 CG LEU A 32 15.602 15.042 -9.821 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.884 15.846 -10.047 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.265 14.153 -11.020 1.00 0.00 C ATOM 0 H LEU A 32 13.100 14.180 -8.899 1.00 0.00 H new ATOM 0 HA LEU A 32 14.943 13.978 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.668 14.393 -8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.650 13.161 -8.802 1.00 0.00 H new ATOM 0 HG LEU A 32 14.788 15.758 -9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.794 16.424 -10.967 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.042 16.523 -9.207 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.731 15.165 -10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.207 14.764 -11.921 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.042 13.398 -11.143 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.306 13.663 -10.851 1.00 0.00 H new ATOM 513 N THR A 33 13.264 16.334 -6.714 1.00 0.00 N ATOM 514 CA THR A 33 12.981 17.710 -6.340 1.00 0.00 C ATOM 515 C THR A 33 14.036 18.224 -5.359 1.00 0.00 C ATOM 516 O THR A 33 14.597 19.300 -5.553 1.00 0.00 O ATOM 517 CB THR A 33 11.556 17.765 -5.786 1.00 0.00 C ATOM 518 OG1 THR A 33 10.752 17.237 -6.838 1.00 0.00 O ATOM 519 CG2 THR A 33 11.050 19.199 -5.615 1.00 0.00 C ATOM 0 H THR A 33 12.472 15.697 -6.629 1.00 0.00 H new ATOM 0 HA THR A 33 13.035 18.374 -7.203 1.00 0.00 H new ATOM 0 HB THR A 33 11.520 17.250 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.178 16.525 -6.485 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.035 19.182 -5.219 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.700 19.734 -4.923 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.054 19.704 -6.581 1.00 0.00 H new ATOM 527 N LYS A 34 14.272 17.429 -4.324 1.00 0.00 N ATOM 528 CA LYS A 34 15.249 17.790 -3.312 1.00 0.00 C ATOM 529 C LYS A 34 16.651 17.737 -3.921 1.00 0.00 C ATOM 530 O LYS A 34 17.479 18.609 -3.659 1.00 0.00 O ATOM 531 CB LYS A 34 15.083 16.912 -2.070 1.00 0.00 C ATOM 532 CG LYS A 34 16.175 17.208 -1.039 1.00 0.00 C ATOM 533 CD LYS A 34 16.774 15.913 -0.487 1.00 0.00 C ATOM 534 CE LYS A 34 15.907 15.345 0.638 1.00 0.00 C ATOM 535 NZ LYS A 34 16.452 15.731 1.959 1.00 0.00 N ATOM 0 H LYS A 34 13.803 16.537 -4.166 1.00 0.00 H new ATOM 0 HA LYS A 34 15.087 18.813 -2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.103 17.085 -1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.123 15.861 -2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.960 17.809 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.759 17.797 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.864 15.179 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.781 16.103 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.886 15.712 0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.865 14.259 0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.851 15.337 2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.418 15.360 2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.470 16.768 2.038 1.00 0.00 H new ATOM 549 N TYR A 35 16.876 16.705 -4.720 1.00 0.00 N ATOM 550 CA TYR A 35 18.165 16.526 -5.369 1.00 0.00 C ATOM 551 C TYR A 35 18.195 17.225 -6.730 1.00 0.00 C ATOM 552 O TYR A 35 18.955 16.835 -7.615 1.00 0.00 O ATOM 553 CB TYR A 35 18.326 15.020 -5.579 1.00 0.00 C ATOM 554 CG TYR A 35 19.651 14.620 -6.231 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.788 14.490 -5.461 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.709 14.391 -7.592 1.00 0.00 C ATOM 557 CE1 TYR A 35 22.035 14.114 -6.075 1.00 0.00 C ATOM 558 CE2 TYR A 35 20.956 14.015 -8.206 1.00 0.00 C ATOM 559 CZ TYR A 35 22.057 13.896 -7.417 1.00 0.00 C ATOM 560 OH TYR A 35 23.235 13.541 -7.997 1.00 0.00 O ATOM 0 H TYR A 35 16.188 15.983 -4.933 1.00 0.00 H new ATOM 0 HA TYR A 35 18.963 16.951 -4.760 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.241 14.518 -4.615 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.505 14.660 -6.199 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.743 14.670 -4.397 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.819 14.494 -8.195 1.00 0.00 H new ATOM 0 HE1 TYR A 35 22.932 14.008 -5.483 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.015 13.832 -9.269 1.00 0.00 H new ATOM 0 HH TYR A 35 23.058 12.977 -8.778 1.00 0.00 H new ATOM 570 N LEU A 36 17.359 18.245 -6.854 1.00 0.00 N ATOM 571 CA LEU A 36 17.280 19.001 -8.093 1.00 0.00 C ATOM 572 C LEU A 36 18.407 20.036 -8.125 1.00 0.00 C ATOM 573 O LEU A 36 19.116 20.156 -9.124 1.00 0.00 O ATOM 574 CB LEU A 36 15.885 19.607 -8.264 1.00 0.00 C ATOM 575 CG LEU A 36 15.702 20.544 -9.459 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.481 21.846 -9.260 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.082 19.844 -10.767 1.00 0.00 C ATOM 0 H LEU A 36 16.731 18.566 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 36 17.424 18.343 -8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.166 18.793 -8.353 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.635 20.156 -7.356 1.00 0.00 H new ATOM 0 HG LEU A 36 14.647 20.807 -9.528 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.334 22.494 -10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.123 22.351 -8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.542 21.622 -9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.943 20.532 -11.601 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.126 19.533 -10.723 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.448 18.969 -10.909 1.00 0.00 H new ATOM 589 N GLU A 37 18.539 20.757 -7.020 1.00 0.00 N ATOM 590 CA GLU A 37 19.568 21.776 -6.911 1.00 0.00 C ATOM 591 C GLU A 37 20.854 21.173 -6.344 1.00 0.00 C ATOM 592 O GLU A 37 21.887 21.841 -6.291 1.00 0.00 O ATOM 593 CB GLU A 37 19.088 22.948 -6.052 1.00 0.00 C ATOM 594 CG GLU A 37 18.881 22.515 -4.600 1.00 0.00 C ATOM 595 CD GLU A 37 19.165 23.671 -3.637 1.00 0.00 C ATOM 596 OE1 GLU A 37 20.338 23.789 -3.225 1.00 0.00 O ATOM 597 OE2 GLU A 37 18.201 24.408 -3.337 1.00 0.00 O ATOM 0 H GLU A 37 17.950 20.655 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 37 19.779 22.160 -7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 37 19.818 23.757 -6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 37 18.154 23.340 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.857 22.166 -4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.537 21.676 -4.370 1.00 0.00 H new ATOM 604 N GLU A 38 20.752 19.916 -5.937 1.00 0.00 N ATOM 605 CA GLU A 38 21.895 19.215 -5.377 1.00 0.00 C ATOM 606 C GLU A 38 22.678 18.507 -6.484 1.00 0.00 C ATOM 607 O GLU A 38 23.857 18.197 -6.316 1.00 0.00 O ATOM 608 CB GLU A 38 21.455 18.225 -4.296 1.00 0.00 C ATOM 609 CG GLU A 38 22.068 18.586 -2.941 1.00 0.00 C ATOM 610 CD GLU A 38 23.592 18.452 -2.975 1.00 0.00 C ATOM 611 OE1 GLU A 38 24.060 17.293 -2.949 1.00 0.00 O ATOM 612 OE2 GLU A 38 24.254 19.511 -3.026 1.00 0.00 O ATOM 0 H GLU A 38 19.895 19.365 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 38 22.551 19.947 -4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.368 18.224 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.755 17.216 -4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 38 21.795 19.607 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.659 17.935 -2.168 1.00 0.00 H new ATOM 619 N HIS A 39 21.991 18.270 -7.592 1.00 0.00 N ATOM 620 CA HIS A 39 22.606 17.603 -8.726 1.00 0.00 C ATOM 621 C HIS A 39 23.935 18.282 -9.062 1.00 0.00 C ATOM 622 O HIS A 39 23.976 19.487 -9.308 1.00 0.00 O ATOM 623 CB HIS A 39 21.647 17.558 -9.918 1.00 0.00 C ATOM 624 CG HIS A 39 22.041 16.569 -10.988 1.00 0.00 C ATOM 625 ND1 HIS A 39 21.971 16.858 -12.339 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.511 15.292 -10.891 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.381 15.796 -13.016 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.715 14.826 -12.117 1.00 0.00 N ATOM 0 H HIS A 39 21.014 18.528 -7.728 1.00 0.00 H new ATOM 0 HA HIS A 39 22.821 16.566 -8.468 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.649 17.309 -9.558 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.588 18.552 -10.361 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.657 17.739 -12.745 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.687 14.752 -9.973 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.440 15.713 -14.091 1.00 0.00 H new ATOM 636 N PRO A 40 25.018 17.460 -9.061 1.00 0.00 N ATOM 637 CA PRO A 40 26.346 17.969 -9.361 1.00 0.00 C ATOM 638 C PRO A 40 26.505 18.233 -10.860 1.00 0.00 C ATOM 639 O PRO A 40 27.214 19.155 -11.259 1.00 0.00 O ATOM 640 CB PRO A 40 27.300 16.908 -8.840 1.00 0.00 C ATOM 641 CG PRO A 40 26.475 15.640 -8.689 1.00 0.00 C ATOM 642 CD PRO A 40 25.007 16.028 -8.774 1.00 0.00 C ATOM 0 HA PRO A 40 26.545 18.931 -8.889 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.128 16.754 -9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.733 17.208 -7.886 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.727 14.925 -9.472 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.688 15.157 -7.735 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.495 15.471 -9.559 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.486 15.815 -7.840 1.00 0.00 H new ATOM 650 N GLY A 41 25.834 17.406 -11.649 1.00 0.00 N ATOM 651 CA GLY A 41 25.892 17.539 -13.094 1.00 0.00 C ATOM 652 C GLY A 41 25.306 18.878 -13.547 1.00 0.00 C ATOM 653 O GLY A 41 26.021 19.723 -14.083 1.00 0.00 O ATOM 0 H GLY A 41 25.248 16.642 -11.314 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.926 17.459 -13.429 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.342 16.721 -13.560 1.00 0.00 H new ATOM 657 N GLY A 42 24.011 19.031 -13.312 1.00 0.00 N ATOM 658 CA GLY A 42 23.321 20.252 -13.688 1.00 0.00 C ATOM 659 C GLY A 42 21.876 20.243 -13.185 1.00 0.00 C ATOM 660 O GLY A 42 21.256 19.185 -13.086 1.00 0.00 O ATOM 0 H GLY A 42 23.422 18.329 -12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.848 21.113 -13.276 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.332 20.361 -14.773 1.00 0.00 H new ATOM 664 N GLU A 43 21.381 21.435 -12.882 1.00 0.00 N ATOM 665 CA GLU A 43 20.020 21.576 -12.392 1.00 0.00 C ATOM 666 C GLU A 43 19.050 21.748 -13.562 1.00 0.00 C ATOM 667 O GLU A 43 17.930 21.240 -13.524 1.00 0.00 O ATOM 668 CB GLU A 43 19.910 22.747 -11.413 1.00 0.00 C ATOM 669 CG GLU A 43 20.197 24.076 -12.114 1.00 0.00 C ATOM 670 CD GLU A 43 20.911 25.049 -11.172 1.00 0.00 C ATOM 671 OE1 GLU A 43 20.430 25.186 -10.026 1.00 0.00 O ATOM 672 OE2 GLU A 43 21.921 25.633 -11.620 1.00 0.00 O ATOM 0 H GLU A 43 21.897 22.311 -12.966 1.00 0.00 H new ATOM 0 HA GLU A 43 19.752 20.667 -11.854 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.911 22.769 -10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.612 22.606 -10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.812 23.901 -12.996 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.263 24.518 -12.460 1.00 0.00 H new ATOM 679 N GLU A 44 19.515 22.463 -14.576 1.00 0.00 N ATOM 680 CA GLU A 44 18.702 22.707 -15.755 1.00 0.00 C ATOM 681 C GLU A 44 18.475 21.404 -16.522 1.00 0.00 C ATOM 682 O GLU A 44 17.336 21.031 -16.798 1.00 0.00 O ATOM 683 CB GLU A 44 19.343 23.767 -16.653 1.00 0.00 C ATOM 684 CG GLU A 44 19.488 25.098 -15.912 1.00 0.00 C ATOM 685 CD GLU A 44 18.650 26.191 -16.579 1.00 0.00 C ATOM 686 OE1 GLU A 44 18.713 26.275 -17.824 1.00 0.00 O ATOM 687 OE2 GLU A 44 17.964 26.917 -15.827 1.00 0.00 O ATOM 0 H GLU A 44 20.445 22.881 -14.605 1.00 0.00 H new ATOM 0 HA GLU A 44 17.734 23.089 -15.432 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.322 23.423 -16.986 1.00 0.00 H new ATOM 0 HB3 GLU A 44 18.735 23.908 -17.546 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.175 24.977 -14.875 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.536 25.397 -15.896 1.00 0.00 H new ATOM 694 N VAL A 45 19.579 20.745 -16.846 1.00 0.00 N ATOM 695 CA VAL A 45 19.515 19.490 -17.576 1.00 0.00 C ATOM 696 C VAL A 45 18.345 18.657 -17.048 1.00 0.00 C ATOM 697 O VAL A 45 17.759 17.865 -17.785 1.00 0.00 O ATOM 698 CB VAL A 45 20.856 18.762 -17.485 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.561 19.075 -16.164 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.675 17.254 -17.667 1.00 0.00 C ATOM 0 H VAL A 45 20.523 21.057 -16.616 1.00 0.00 H new ATOM 0 HA VAL A 45 19.332 19.673 -18.635 1.00 0.00 H new ATOM 0 HB VAL A 45 21.489 19.123 -18.296 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.512 18.545 -16.125 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.740 20.148 -16.093 1.00 0.00 H new ATOM 0 HG13 VAL A 45 20.933 18.756 -15.332 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.644 16.760 -17.598 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.016 16.870 -16.888 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.236 17.056 -18.645 1.00 0.00 H new ATOM 710 N LEU A 46 18.040 18.864 -15.775 1.00 0.00 N ATOM 711 CA LEU A 46 16.951 18.142 -15.139 1.00 0.00 C ATOM 712 C LEU A 46 15.635 18.873 -15.408 1.00 0.00 C ATOM 713 O LEU A 46 14.709 18.302 -15.985 1.00 0.00 O ATOM 714 CB LEU A 46 17.245 17.930 -13.652 1.00 0.00 C ATOM 715 CG LEU A 46 18.706 17.660 -13.290 1.00 0.00 C ATOM 716 CD1 LEU A 46 18.994 18.063 -11.842 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.079 16.202 -13.564 1.00 0.00 C ATOM 0 H LEU A 46 18.528 19.522 -15.167 1.00 0.00 H new ATOM 0 HA LEU A 46 16.854 17.144 -15.566 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.913 18.814 -13.107 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.643 17.093 -13.299 1.00 0.00 H new ATOM 0 HG LEU A 46 19.337 18.278 -13.929 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.040 17.861 -11.609 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.792 19.126 -11.713 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.355 17.489 -11.171 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.123 16.037 -13.298 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.445 15.546 -12.968 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.935 15.982 -14.622 1.00 0.00 H new ATOM 729 N ARG A 47 15.591 20.125 -14.978 1.00 0.00 N ATOM 730 CA ARG A 47 14.402 20.940 -15.165 1.00 0.00 C ATOM 731 C ARG A 47 14.090 21.089 -16.655 1.00 0.00 C ATOM 732 O ARG A 47 13.003 20.728 -17.105 1.00 0.00 O ATOM 733 CB ARG A 47 14.584 22.328 -14.549 1.00 0.00 C ATOM 734 CG ARG A 47 14.939 22.227 -13.064 1.00 0.00 C ATOM 735 CD ARG A 47 14.458 23.461 -12.298 1.00 0.00 C ATOM 736 NE ARG A 47 15.167 24.666 -12.783 1.00 0.00 N ATOM 737 CZ ARG A 47 16.366 25.062 -12.335 1.00 0.00 C ATOM 738 NH1 ARG A 47 16.997 24.354 -11.389 1.00 0.00 N ATOM 739 NH2 ARG A 47 16.935 26.170 -12.832 1.00 0.00 N ATOM 0 H ARG A 47 16.360 20.596 -14.500 1.00 0.00 H new ATOM 0 HA ARG A 47 13.574 20.438 -14.665 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.371 22.865 -15.079 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.668 22.906 -14.669 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.486 21.332 -12.639 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.018 22.123 -12.951 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.383 23.584 -12.429 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.636 23.329 -11.231 1.00 0.00 H new ATOM 0 HE ARG A 47 14.715 25.230 -13.503 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.565 23.512 -11.009 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.910 24.657 -11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.455 26.711 -13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.848 26.472 -12.491 1.00 0.00 H new ATOM 753 N GLU A 48 15.062 21.621 -17.381 1.00 0.00 N ATOM 754 CA GLU A 48 14.905 21.822 -18.811 1.00 0.00 C ATOM 755 C GLU A 48 14.038 20.713 -19.410 1.00 0.00 C ATOM 756 O GLU A 48 13.136 20.985 -20.203 1.00 0.00 O ATOM 757 CB GLU A 48 16.265 21.890 -19.508 1.00 0.00 C ATOM 758 CG GLU A 48 16.100 22.119 -21.012 1.00 0.00 C ATOM 759 CD GLU A 48 17.399 21.811 -21.760 1.00 0.00 C ATOM 760 OE1 GLU A 48 18.469 22.053 -21.161 1.00 0.00 O ATOM 761 OE2 GLU A 48 17.291 21.342 -22.913 1.00 0.00 O ATOM 0 H GLU A 48 15.962 21.919 -17.005 1.00 0.00 H new ATOM 0 HA GLU A 48 14.403 22.776 -18.971 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.859 22.696 -19.077 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.813 20.963 -19.336 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.298 21.487 -21.394 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.807 23.153 -21.196 1.00 0.00 H new ATOM 768 N GLN A 49 14.338 19.488 -19.008 1.00 0.00 N ATOM 769 CA GLN A 49 13.597 18.337 -19.495 1.00 0.00 C ATOM 770 C GLN A 49 13.201 17.428 -18.330 1.00 0.00 C ATOM 771 O GLN A 49 13.475 16.229 -18.353 1.00 0.00 O ATOM 772 CB GLN A 49 14.405 17.566 -20.542 1.00 0.00 C ATOM 773 CG GLN A 49 15.749 17.112 -19.969 1.00 0.00 C ATOM 774 CD GLN A 49 16.849 17.180 -21.032 1.00 0.00 C ATOM 775 OE1 GLN A 49 16.593 17.269 -22.222 1.00 0.00 O ATOM 776 NE2 GLN A 49 18.083 17.134 -20.538 1.00 0.00 N ATOM 0 H GLN A 49 15.085 19.267 -18.350 1.00 0.00 H new ATOM 0 HA GLN A 49 12.687 18.694 -19.977 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.837 16.699 -20.879 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.572 18.197 -21.415 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.018 17.742 -19.121 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.663 16.092 -19.594 1.00 0.00 H new ATOM 0 HE21 GLN A 49 18.227 17.059 -19.531 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.886 17.173 -21.166 1.00 0.00 H new ATOM 785 N ALA A 50 12.563 18.033 -17.339 1.00 0.00 N ATOM 786 CA ALA A 50 12.126 17.294 -16.167 1.00 0.00 C ATOM 787 C ALA A 50 10.947 16.396 -16.545 1.00 0.00 C ATOM 788 O ALA A 50 11.141 15.262 -16.983 1.00 0.00 O ATOM 789 CB ALA A 50 11.777 18.274 -15.045 1.00 0.00 C ATOM 0 H ALA A 50 12.338 19.028 -17.324 1.00 0.00 H new ATOM 0 HA ALA A 50 12.925 16.650 -15.800 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.449 17.719 -14.166 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.656 18.867 -14.793 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.976 18.936 -15.376 1.00 0.00 H new ATOM 795 N GLY A 51 9.751 16.936 -16.364 1.00 0.00 N ATOM 796 CA GLY A 51 8.540 16.198 -16.682 1.00 0.00 C ATOM 797 C GLY A 51 8.713 15.389 -17.969 1.00 0.00 C ATOM 798 O GLY A 51 8.112 14.328 -18.125 1.00 0.00 O ATOM 0 H GLY A 51 9.594 17.876 -16.001 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.291 15.529 -15.858 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.706 16.891 -16.793 1.00 0.00 H new ATOM 802 N GLY A 52 9.537 15.922 -18.859 1.00 0.00 N ATOM 803 CA GLY A 52 9.795 15.264 -20.128 1.00 0.00 C ATOM 804 C GLY A 52 10.423 13.886 -19.913 1.00 0.00 C ATOM 805 O GLY A 52 10.050 13.168 -18.985 1.00 0.00 O ATOM 0 H GLY A 52 10.035 16.802 -18.726 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.863 15.160 -20.684 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.460 15.880 -20.733 1.00 0.00 H new ATOM 809 N ASP A 53 11.365 13.557 -20.784 1.00 0.00 N ATOM 810 CA ASP A 53 12.048 12.277 -20.700 1.00 0.00 C ATOM 811 C ASP A 53 13.559 12.503 -20.788 1.00 0.00 C ATOM 812 O ASP A 53 14.067 12.930 -21.823 1.00 0.00 O ATOM 813 CB ASP A 53 11.640 11.359 -21.855 1.00 0.00 C ATOM 814 CG ASP A 53 12.067 11.837 -23.244 1.00 0.00 C ATOM 815 OD1 ASP A 53 11.380 12.740 -23.768 1.00 0.00 O ATOM 816 OD2 ASP A 53 13.069 11.289 -23.750 1.00 0.00 O ATOM 0 H ASP A 53 11.672 14.155 -21.552 1.00 0.00 H new ATOM 0 HA ASP A 53 11.775 11.810 -19.753 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.065 10.371 -21.681 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.556 11.246 -21.844 1.00 0.00 H new ATOM 821 N ALA A 54 14.234 12.206 -19.687 1.00 0.00 N ATOM 822 CA ALA A 54 15.676 12.371 -19.626 1.00 0.00 C ATOM 823 C ALA A 54 16.335 11.002 -19.449 1.00 0.00 C ATOM 824 O ALA A 54 17.476 10.912 -18.997 1.00 0.00 O ATOM 825 CB ALA A 54 16.032 13.341 -18.497 1.00 0.00 C ATOM 0 H ALA A 54 13.809 11.852 -18.830 1.00 0.00 H new ATOM 0 HA ALA A 54 16.053 12.800 -20.555 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.114 13.465 -18.451 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.564 14.307 -18.686 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.672 12.943 -17.548 1.00 0.00 H new ATOM 831 N THR A 55 15.589 9.969 -19.813 1.00 0.00 N ATOM 832 CA THR A 55 16.086 8.609 -19.699 1.00 0.00 C ATOM 833 C THR A 55 17.466 8.491 -20.349 1.00 0.00 C ATOM 834 O THR A 55 18.440 8.139 -19.685 1.00 0.00 O ATOM 835 CB THR A 55 15.044 7.672 -20.312 1.00 0.00 C ATOM 836 OG1 THR A 55 14.051 7.546 -19.297 1.00 0.00 O ATOM 837 CG2 THR A 55 15.572 6.248 -20.494 1.00 0.00 C ATOM 0 H THR A 55 14.643 10.047 -20.187 1.00 0.00 H new ATOM 0 HA THR A 55 16.226 8.325 -18.656 1.00 0.00 H new ATOM 0 HB THR A 55 14.724 8.067 -21.276 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.915 8.414 -18.863 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.793 5.624 -20.932 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.439 6.263 -21.154 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.861 5.840 -19.525 1.00 0.00 H new ATOM 845 N GLU A 56 17.506 8.789 -21.639 1.00 0.00 N ATOM 846 CA GLU A 56 18.750 8.721 -22.385 1.00 0.00 C ATOM 847 C GLU A 56 19.740 9.767 -21.866 1.00 0.00 C ATOM 848 O GLU A 56 20.927 9.483 -21.716 1.00 0.00 O ATOM 849 CB GLU A 56 18.501 8.899 -23.884 1.00 0.00 C ATOM 850 CG GLU A 56 17.621 7.773 -24.431 1.00 0.00 C ATOM 851 CD GLU A 56 18.473 6.608 -24.939 1.00 0.00 C ATOM 852 OE1 GLU A 56 19.552 6.896 -25.501 1.00 0.00 O ATOM 853 OE2 GLU A 56 18.025 5.455 -24.755 1.00 0.00 O ATOM 0 H GLU A 56 16.696 9.078 -22.187 1.00 0.00 H new ATOM 0 HA GLU A 56 19.185 7.733 -22.237 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.021 9.861 -24.065 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.453 8.912 -24.415 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.947 7.422 -23.650 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.999 8.154 -25.241 1.00 0.00 H new ATOM 860 N ASN A 57 19.213 10.955 -21.607 1.00 0.00 N ATOM 861 CA ASN A 57 20.035 12.045 -21.109 1.00 0.00 C ATOM 862 C ASN A 57 20.552 11.691 -19.713 1.00 0.00 C ATOM 863 O ASN A 57 21.448 12.352 -19.192 1.00 0.00 O ATOM 864 CB ASN A 57 19.226 13.339 -20.999 1.00 0.00 C ATOM 865 CG ASN A 57 19.486 14.250 -22.201 1.00 0.00 C ATOM 866 OD1 ASN A 57 19.021 14.013 -23.304 1.00 0.00 O ATOM 867 ND2 ASN A 57 20.250 15.303 -21.926 1.00 0.00 N ATOM 0 H ASN A 57 18.228 11.186 -21.733 1.00 0.00 H new ATOM 0 HA ASN A 57 20.859 12.193 -21.807 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.163 13.104 -20.939 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.490 13.860 -20.079 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.480 15.972 -22.661 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.606 15.441 -20.980 1.00 0.00 H new ATOM 874 N PHE A 58 19.962 10.648 -19.145 1.00 0.00 N ATOM 875 CA PHE A 58 20.351 10.198 -17.820 1.00 0.00 C ATOM 876 C PHE A 58 21.292 8.994 -17.903 1.00 0.00 C ATOM 877 O PHE A 58 22.264 8.907 -17.155 1.00 0.00 O ATOM 878 CB PHE A 58 19.070 9.781 -17.095 1.00 0.00 C ATOM 879 CG PHE A 58 19.304 9.223 -15.690 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.710 10.048 -14.688 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.106 7.900 -15.442 1.00 0.00 C ATOM 882 CE1 PHE A 58 19.927 9.530 -13.385 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.322 7.381 -14.138 1.00 0.00 C ATOM 884 CZ PHE A 58 19.728 8.208 -13.137 1.00 0.00 C ATOM 0 H PHE A 58 19.218 10.102 -19.579 1.00 0.00 H new ATOM 0 HA PHE A 58 20.874 10.997 -17.295 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.406 10.643 -17.027 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.555 9.029 -17.692 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.867 11.098 -14.884 1.00 0.00 H new ATOM 0 HD2 PHE A 58 18.784 7.244 -16.237 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.250 10.186 -12.590 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.164 6.331 -13.941 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.892 7.814 -12.145 1.00 0.00 H new ATOM 894 N GLU A 59 20.969 8.094 -18.821 1.00 0.00 N ATOM 895 CA GLU A 59 21.772 6.899 -19.012 1.00 0.00 C ATOM 896 C GLU A 59 22.991 7.212 -19.882 1.00 0.00 C ATOM 897 O GLU A 59 24.038 6.582 -19.740 1.00 0.00 O ATOM 898 CB GLU A 59 20.938 5.769 -19.623 1.00 0.00 C ATOM 899 CG GLU A 59 20.526 6.106 -21.058 1.00 0.00 C ATOM 900 CD GLU A 59 21.171 5.141 -22.054 1.00 0.00 C ATOM 901 OE1 GLU A 59 22.322 5.420 -22.451 1.00 0.00 O ATOM 902 OE2 GLU A 59 20.497 4.145 -22.396 1.00 0.00 O ATOM 0 H GLU A 59 20.162 8.169 -19.440 1.00 0.00 H new ATOM 0 HA GLU A 59 22.123 6.561 -18.037 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.512 4.842 -19.614 1.00 0.00 H new ATOM 0 HB3 GLU A 59 20.049 5.599 -19.016 1.00 0.00 H new ATOM 0 HG2 GLU A 59 19.441 6.057 -21.150 1.00 0.00 H new ATOM 0 HG3 GLU A 59 20.820 7.129 -21.294 1.00 0.00 H new ATOM 909 N ASP A 60 22.815 8.185 -20.764 1.00 0.00 N ATOM 910 CA ASP A 60 23.888 8.589 -21.657 1.00 0.00 C ATOM 911 C ASP A 60 25.062 9.117 -20.830 1.00 0.00 C ATOM 912 O ASP A 60 26.218 8.823 -21.129 1.00 0.00 O ATOM 913 CB ASP A 60 23.430 9.707 -22.596 1.00 0.00 C ATOM 914 CG ASP A 60 24.489 10.188 -23.592 1.00 0.00 C ATOM 915 OD1 ASP A 60 25.666 9.820 -23.390 1.00 0.00 O ATOM 916 OD2 ASP A 60 24.096 10.912 -24.531 1.00 0.00 O ATOM 0 H ASP A 60 21.945 8.705 -20.879 1.00 0.00 H new ATOM 0 HA ASP A 60 24.182 7.721 -22.246 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.560 9.360 -23.153 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.106 10.556 -21.995 1.00 0.00 H new ATOM 921 N VAL A 61 24.724 9.887 -19.806 1.00 0.00 N ATOM 922 CA VAL A 61 25.736 10.459 -18.934 1.00 0.00 C ATOM 923 C VAL A 61 26.373 9.345 -18.100 1.00 0.00 C ATOM 924 O VAL A 61 27.453 9.525 -17.540 1.00 0.00 O ATOM 925 CB VAL A 61 25.122 11.569 -18.078 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.348 12.564 -18.944 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.229 10.986 -16.981 1.00 0.00 C ATOM 0 H VAL A 61 23.764 10.128 -19.561 1.00 0.00 H new ATOM 0 HA VAL A 61 26.530 10.920 -19.521 1.00 0.00 H new ATOM 0 HB VAL A 61 25.937 12.108 -17.595 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.922 13.342 -18.311 1.00 0.00 H new ATOM 0 HG12 VAL A 61 25.023 13.016 -19.671 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.547 12.043 -19.468 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.806 11.796 -16.388 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.423 10.410 -17.436 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.821 10.336 -16.337 1.00 0.00 H new ATOM 937 N GLY A 62 25.677 8.219 -18.045 1.00 0.00 N ATOM 938 CA GLY A 62 26.162 7.076 -17.290 1.00 0.00 C ATOM 939 C GLY A 62 26.281 7.413 -15.803 1.00 0.00 C ATOM 940 O GLY A 62 27.354 7.794 -15.332 1.00 0.00 O ATOM 0 H GLY A 62 24.781 8.074 -18.511 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.483 6.233 -17.423 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.133 6.767 -17.675 1.00 0.00 H new ATOM 944 N HIS A 63 25.167 7.261 -15.102 1.00 0.00 N ATOM 945 CA HIS A 63 25.134 7.545 -13.677 1.00 0.00 C ATOM 946 C HIS A 63 25.883 6.448 -12.918 1.00 0.00 C ATOM 947 O HIS A 63 25.770 5.269 -13.252 1.00 0.00 O ATOM 948 CB HIS A 63 23.694 7.726 -13.192 1.00 0.00 C ATOM 949 CG HIS A 63 23.106 9.080 -13.509 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.812 9.487 -14.799 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.756 10.114 -12.691 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.311 10.712 -14.748 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.278 11.099 -13.440 1.00 0.00 N ATOM 0 H HIS A 63 24.280 6.945 -15.494 1.00 0.00 H new ATOM 0 HA HIS A 63 25.643 8.488 -13.478 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.070 6.955 -13.644 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.662 7.571 -12.114 1.00 0.00 H new ATOM 0 HD1 HIS A 63 22.957 8.937 -15.646 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.852 10.128 -11.615 1.00 0.00 H new ATOM 0 HE1 HIS A 63 21.986 11.301 -15.593 1.00 0.00 H new ATOM 961 N SER A 64 26.630 6.874 -11.910 1.00 0.00 N ATOM 962 CA SER A 64 27.396 5.942 -11.101 1.00 0.00 C ATOM 963 C SER A 64 26.478 5.249 -10.091 1.00 0.00 C ATOM 964 O SER A 64 25.324 5.640 -9.925 1.00 0.00 O ATOM 965 CB SER A 64 28.540 6.653 -10.377 1.00 0.00 C ATOM 966 OG SER A 64 29.420 7.310 -11.285 1.00 0.00 O ATOM 0 H SER A 64 26.721 7.852 -11.635 1.00 0.00 H new ATOM 0 HA SER A 64 27.831 5.192 -11.762 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.129 7.382 -9.679 1.00 0.00 H new ATOM 0 HB3 SER A 64 29.102 5.928 -9.788 1.00 0.00 H new ATOM 0 HG SER A 64 30.136 7.753 -10.784 1.00 0.00 H new ATOM 972 N THR A 65 27.027 4.233 -9.441 1.00 0.00 N ATOM 973 CA THR A 65 26.273 3.482 -8.452 1.00 0.00 C ATOM 974 C THR A 65 25.654 4.429 -7.423 1.00 0.00 C ATOM 975 O THR A 65 24.475 4.308 -7.093 1.00 0.00 O ATOM 976 CB THR A 65 27.208 2.441 -7.835 1.00 0.00 C ATOM 977 OG1 THR A 65 26.979 1.266 -8.608 1.00 0.00 O ATOM 978 CG2 THR A 65 26.788 2.042 -6.418 1.00 0.00 C ATOM 0 H THR A 65 27.985 3.912 -9.580 1.00 0.00 H new ATOM 0 HA THR A 65 25.435 2.956 -8.909 1.00 0.00 H new ATOM 0 HB THR A 65 28.225 2.834 -7.815 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.548 0.540 -8.276 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.485 1.301 -6.027 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.795 2.922 -5.775 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.784 1.618 -6.442 1.00 0.00 H new ATOM 986 N ASP A 66 26.476 5.350 -6.944 1.00 0.00 N ATOM 987 CA ASP A 66 26.023 6.318 -5.958 1.00 0.00 C ATOM 988 C ASP A 66 24.623 6.806 -6.335 1.00 0.00 C ATOM 989 O ASP A 66 23.759 6.948 -5.471 1.00 0.00 O ATOM 990 CB ASP A 66 26.952 7.532 -5.912 1.00 0.00 C ATOM 991 CG ASP A 66 27.605 7.797 -4.553 1.00 0.00 C ATOM 992 OD1 ASP A 66 28.120 6.818 -3.972 1.00 0.00 O ATOM 993 OD2 ASP A 66 27.574 8.972 -4.129 1.00 0.00 O ATOM 0 H ASP A 66 27.453 5.447 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 66 26.019 5.831 -4.983 1.00 0.00 H new ATOM 0 HB2 ASP A 66 27.738 7.398 -6.655 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.385 8.416 -6.204 1.00 0.00 H new ATOM 998 N ALA A 67 24.444 7.049 -7.624 1.00 0.00 N ATOM 999 CA ALA A 67 23.163 7.518 -8.126 1.00 0.00 C ATOM 1000 C ALA A 67 22.115 6.418 -7.944 1.00 0.00 C ATOM 1001 O ALA A 67 21.012 6.680 -7.467 1.00 0.00 O ATOM 1002 CB ALA A 67 23.312 7.946 -9.587 1.00 0.00 C ATOM 0 H ALA A 67 25.164 6.930 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 67 22.827 8.390 -7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.351 8.298 -9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.045 8.749 -9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.646 7.096 -10.183 1.00 0.00 H new ATOM 1008 N ARG A 68 22.496 5.212 -8.336 1.00 0.00 N ATOM 1009 CA ARG A 68 21.603 4.071 -8.223 1.00 0.00 C ATOM 1010 C ARG A 68 20.852 4.115 -6.890 1.00 0.00 C ATOM 1011 O ARG A 68 19.644 3.891 -6.847 1.00 0.00 O ATOM 1012 CB ARG A 68 22.376 2.755 -8.321 1.00 0.00 C ATOM 1013 CG ARG A 68 21.525 1.668 -8.982 1.00 0.00 C ATOM 1014 CD ARG A 68 21.974 1.421 -10.423 1.00 0.00 C ATOM 1015 NE ARG A 68 22.101 -0.032 -10.672 1.00 0.00 N ATOM 1016 CZ ARG A 68 22.870 -0.567 -11.632 1.00 0.00 C ATOM 1017 NH1 ARG A 68 23.584 0.230 -12.439 1.00 0.00 N ATOM 1018 NH2 ARG A 68 22.925 -1.896 -11.783 1.00 0.00 N ATOM 0 H ARG A 68 23.411 4.999 -8.733 1.00 0.00 H new ATOM 0 HA ARG A 68 20.892 4.124 -9.047 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.289 2.907 -8.896 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.677 2.431 -7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 68 21.601 0.743 -8.410 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.476 1.965 -8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.254 1.855 -11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.929 1.914 -10.605 1.00 0.00 H new ATOM 0 HE ARG A 68 21.570 -0.667 -10.076 1.00 0.00 H new ATOM 0 HH11 ARG A 68 23.542 1.243 -12.323 1.00 0.00 H new ATOM 0 HH12 ARG A 68 24.169 -0.176 -13.169 1.00 0.00 H new ATOM 0 HH21 ARG A 68 22.382 -2.502 -11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 68 23.510 -2.303 -12.513 1.00 0.00 H new ATOM 1032 N GLU A 69 21.600 4.407 -5.836 1.00 0.00 N ATOM 1033 CA GLU A 69 21.020 4.483 -4.505 1.00 0.00 C ATOM 1034 C GLU A 69 20.051 5.664 -4.415 1.00 0.00 C ATOM 1035 O GLU A 69 18.894 5.495 -4.036 1.00 0.00 O ATOM 1036 CB GLU A 69 22.111 4.586 -3.437 1.00 0.00 C ATOM 1037 CG GLU A 69 22.311 3.245 -2.727 1.00 0.00 C ATOM 1038 CD GLU A 69 23.773 2.800 -2.798 1.00 0.00 C ATOM 1039 OE1 GLU A 69 24.642 3.696 -2.744 1.00 0.00 O ATOM 1040 OE2 GLU A 69 23.988 1.573 -2.904 1.00 0.00 O ATOM 0 H GLU A 69 22.602 4.594 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 69 20.462 3.565 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.047 4.901 -3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.841 5.351 -2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 69 22.004 3.332 -1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 69 21.674 2.488 -3.185 1.00 0.00 H new ATOM 1047 N LEU A 70 20.561 6.834 -4.771 1.00 0.00 N ATOM 1048 CA LEU A 70 19.756 8.043 -4.735 1.00 0.00 C ATOM 1049 C LEU A 70 18.483 7.827 -5.556 1.00 0.00 C ATOM 1050 O LEU A 70 17.385 7.768 -5.004 1.00 0.00 O ATOM 1051 CB LEU A 70 20.581 9.251 -5.186 1.00 0.00 C ATOM 1052 CG LEU A 70 21.404 9.944 -4.098 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.869 8.941 -3.039 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.575 10.718 -4.707 1.00 0.00 C ATOM 0 H LEU A 70 21.522 6.970 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 70 19.445 8.263 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.259 8.929 -5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.905 9.984 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 70 20.764 10.669 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.452 9.460 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 70 21.001 8.473 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.486 8.175 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.144 11.201 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.223 10.030 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.194 11.475 -5.392 1.00 0.00 H new ATOM 1066 N SER A 71 18.672 7.715 -6.863 1.00 0.00 N ATOM 1067 CA SER A 71 17.552 7.507 -7.766 1.00 0.00 C ATOM 1068 C SER A 71 16.459 6.697 -7.067 1.00 0.00 C ATOM 1069 O SER A 71 15.320 7.147 -6.961 1.00 0.00 O ATOM 1070 CB SER A 71 18.001 6.798 -9.045 1.00 0.00 C ATOM 1071 OG SER A 71 19.006 5.821 -8.790 1.00 0.00 O ATOM 0 H SER A 71 19.583 7.764 -7.318 1.00 0.00 H new ATOM 0 HA SER A 71 17.151 8.482 -8.044 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.142 6.320 -9.515 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.383 7.534 -9.753 1.00 0.00 H new ATOM 0 HG SER A 71 19.855 6.269 -8.594 1.00 0.00 H new ATOM 1077 N LYS A 72 16.845 5.516 -6.604 1.00 0.00 N ATOM 1078 CA LYS A 72 15.912 4.640 -5.918 1.00 0.00 C ATOM 1079 C LYS A 72 15.274 5.395 -4.751 1.00 0.00 C ATOM 1080 O LYS A 72 14.050 5.474 -4.653 1.00 0.00 O ATOM 1081 CB LYS A 72 16.605 3.340 -5.503 1.00 0.00 C ATOM 1082 CG LYS A 72 15.773 2.122 -5.909 1.00 0.00 C ATOM 1083 CD LYS A 72 16.665 0.902 -6.146 1.00 0.00 C ATOM 1084 CE LYS A 72 15.989 -0.377 -5.647 1.00 0.00 C ATOM 1085 NZ LYS A 72 16.697 -1.571 -6.160 1.00 0.00 N ATOM 0 H LYS A 72 17.792 5.146 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 72 15.104 4.345 -6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.589 3.284 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.761 3.335 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.045 1.898 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.211 2.347 -6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.886 0.810 -7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.617 1.038 -5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.983 -0.391 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.949 -0.396 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.226 -2.430 -5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.681 -1.564 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.683 -1.559 -5.829 1.00 0.00 H new ATOM 1099 N THR A 73 16.131 5.933 -3.895 1.00 0.00 N ATOM 1100 CA THR A 73 15.666 6.679 -2.738 1.00 0.00 C ATOM 1101 C THR A 73 14.771 7.840 -3.178 1.00 0.00 C ATOM 1102 O THR A 73 13.858 8.233 -2.453 1.00 0.00 O ATOM 1103 CB THR A 73 16.892 7.126 -1.940 1.00 0.00 C ATOM 1104 OG1 THR A 73 16.890 6.276 -0.797 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.731 8.532 -1.358 1.00 0.00 C ATOM 0 H THR A 73 17.145 5.867 -3.980 1.00 0.00 H new ATOM 0 HA THR A 73 15.047 6.059 -2.090 1.00 0.00 H new ATOM 0 HB THR A 73 17.773 7.097 -2.581 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.654 6.496 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.629 8.800 -0.801 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.579 9.246 -2.168 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.870 8.553 -0.690 1.00 0.00 H new ATOM 1113 N TYR A 74 15.063 8.355 -4.364 1.00 0.00 N ATOM 1114 CA TYR A 74 14.297 9.462 -4.908 1.00 0.00 C ATOM 1115 C TYR A 74 13.263 8.967 -5.922 1.00 0.00 C ATOM 1116 O TYR A 74 13.046 9.601 -6.953 1.00 0.00 O ATOM 1117 CB TYR A 74 15.305 10.361 -5.625 1.00 0.00 C ATOM 1118 CG TYR A 74 16.104 11.270 -4.688 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.273 10.812 -4.115 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.657 12.547 -4.418 1.00 0.00 C ATOM 1121 CE1 TYR A 74 18.026 11.667 -3.233 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.409 13.402 -3.536 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.556 12.920 -2.987 1.00 0.00 C ATOM 1124 OH TYR A 74 18.267 13.727 -2.155 1.00 0.00 O ATOM 0 H TYR A 74 15.820 8.025 -4.963 1.00 0.00 H new ATOM 0 HA TYR A 74 13.761 9.984 -4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.999 9.736 -6.187 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.774 10.979 -6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.623 9.813 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.743 12.906 -4.868 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.942 11.321 -2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.070 14.403 -3.316 1.00 0.00 H new ATOM 0 HH TYR A 74 18.074 13.489 -1.224 1.00 0.00 H new ATOM 1134 N ILE A 75 12.650 7.839 -5.592 1.00 0.00 N ATOM 1135 CA ILE A 75 11.644 7.252 -6.460 1.00 0.00 C ATOM 1136 C ILE A 75 10.309 7.191 -5.717 1.00 0.00 C ATOM 1137 O ILE A 75 10.277 6.973 -4.506 1.00 0.00 O ATOM 1138 CB ILE A 75 12.118 5.896 -6.987 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.504 5.596 -8.356 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.833 4.784 -5.975 1.00 0.00 C ATOM 1141 CD1 ILE A 75 11.964 4.232 -8.875 1.00 0.00 C ATOM 0 H ILE A 75 12.831 7.316 -4.735 1.00 0.00 H new ATOM 0 HA ILE A 75 11.490 7.875 -7.341 1.00 0.00 H new ATOM 0 HB ILE A 75 13.199 5.940 -7.121 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.417 5.614 -8.283 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.788 6.374 -9.065 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.180 3.831 -6.374 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.355 4.998 -5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.761 4.730 -5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.514 4.043 -9.849 1.00 0.00 H new ATOM 0 HD12 ILE A 75 13.050 4.226 -8.970 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.657 3.454 -8.176 1.00 0.00 H new ATOM 1153 N ILE A 76 9.238 7.386 -6.473 1.00 0.00 N ATOM 1154 CA ILE A 76 7.902 7.356 -5.901 1.00 0.00 C ATOM 1155 C ILE A 76 7.036 6.376 -6.693 1.00 0.00 C ATOM 1156 O ILE A 76 6.224 5.653 -6.116 1.00 0.00 O ATOM 1157 CB ILE A 76 7.321 8.769 -5.825 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.748 9.200 -7.176 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.358 9.762 -5.299 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.856 9.695 -8.109 1.00 0.00 C ATOM 0 H ILE A 76 9.268 7.565 -7.477 1.00 0.00 H new ATOM 0 HA ILE A 76 7.934 6.994 -4.873 1.00 0.00 H new ATOM 0 HB ILE A 76 6.495 8.760 -5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.226 8.362 -7.638 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.012 9.991 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.918 10.758 -5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.676 9.461 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.220 9.775 -5.966 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.422 9.995 -9.063 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.360 10.548 -7.655 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.577 8.894 -8.275 1.00 0.00 H new ATOM 1172 N GLY A 77 7.237 6.382 -8.002 1.00 0.00 N ATOM 1173 CA GLY A 77 6.483 5.502 -8.880 1.00 0.00 C ATOM 1174 C GLY A 77 6.793 5.795 -10.348 1.00 0.00 C ATOM 1175 O GLY A 77 7.744 6.512 -10.655 1.00 0.00 O ATOM 0 H GLY A 77 7.911 6.982 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.724 4.463 -8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.416 5.628 -8.698 1.00 0.00 H new ATOM 1179 N GLU A 78 5.972 5.225 -11.219 1.00 0.00 N ATOM 1180 CA GLU A 78 6.146 5.417 -12.648 1.00 0.00 C ATOM 1181 C GLU A 78 4.941 6.153 -13.236 1.00 0.00 C ATOM 1182 O GLU A 78 3.928 6.330 -12.561 1.00 0.00 O ATOM 1183 CB GLU A 78 6.372 4.080 -13.357 1.00 0.00 C ATOM 1184 CG GLU A 78 5.126 3.196 -13.270 1.00 0.00 C ATOM 1185 CD GLU A 78 4.938 2.384 -14.553 1.00 0.00 C ATOM 1186 OE1 GLU A 78 4.500 2.995 -15.552 1.00 0.00 O ATOM 1187 OE2 GLU A 78 5.238 1.171 -14.508 1.00 0.00 O ATOM 0 H GLU A 78 5.185 4.630 -10.962 1.00 0.00 H new ATOM 0 HA GLU A 78 7.033 6.030 -12.807 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.625 4.257 -14.402 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.220 3.564 -12.907 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.213 2.521 -12.418 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.247 3.817 -13.096 1.00 0.00 H new ATOM 1194 N LEU A 79 5.090 6.561 -14.488 1.00 0.00 N ATOM 1195 CA LEU A 79 4.026 7.273 -15.174 1.00 0.00 C ATOM 1196 C LEU A 79 3.385 6.348 -16.211 1.00 0.00 C ATOM 1197 O LEU A 79 4.046 5.462 -16.752 1.00 0.00 O ATOM 1198 CB LEU A 79 4.551 8.584 -15.762 1.00 0.00 C ATOM 1199 CG LEU A 79 5.158 8.497 -17.163 1.00 0.00 C ATOM 1200 CD1 LEU A 79 6.302 7.482 -17.202 1.00 0.00 C ATOM 1201 CD2 LEU A 79 4.083 8.190 -18.208 1.00 0.00 C ATOM 0 H LEU A 79 5.932 6.412 -15.045 1.00 0.00 H new ATOM 0 HA LEU A 79 3.243 7.556 -14.471 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.731 9.302 -15.787 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.305 8.986 -15.086 1.00 0.00 H new ATOM 0 HG LEU A 79 5.582 9.470 -17.413 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.716 7.439 -18.209 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.081 7.784 -16.502 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.925 6.498 -16.923 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.541 8.134 -19.195 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.609 7.237 -17.973 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.332 8.980 -18.201 1.00 0.00 H new ATOM 1213 N HIS A 80 2.105 6.586 -16.459 1.00 0.00 N ATOM 1214 CA HIS A 80 1.368 5.785 -17.421 1.00 0.00 C ATOM 1215 C HIS A 80 2.254 5.498 -18.635 1.00 0.00 C ATOM 1216 O HIS A 80 2.472 6.372 -19.470 1.00 0.00 O ATOM 1217 CB HIS A 80 0.049 6.465 -17.796 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.037 5.506 -18.221 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.373 5.864 -18.278 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -0.972 4.200 -18.608 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.071 4.813 -18.681 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.201 3.782 -18.885 1.00 0.00 N ATOM 0 H HIS A 80 1.560 7.322 -16.010 1.00 0.00 H new ATOM 0 HA HIS A 80 1.102 4.827 -16.975 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.305 7.044 -16.943 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.233 7.171 -18.606 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.073 3.606 -18.677 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.141 4.778 -18.823 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.453 2.845 -19.199 1.00 0.00 H new