USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 798 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 46 ASN : amide:sc= -1.71! C(o=-0.2!,f=-5.3!) USER MOD Set 1.2: A 50 LYS NZ :NH3+ 178:sc= 1.51 (180deg=1.4) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 21 THR OG1 : rot 92:sc= 1.36 USER MOD Single : A 22 GLN : amide:sc= -0.155 K(o=-0.16,f=-0.78) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.00036) USER MOD Single : A 29 LYS NZ :NH3+ -125:sc= 1.33 (180deg=0.188) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 81:sc= 0.974 USER MOD Single : A 36 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.9!) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= -0.0972 (180deg=-0.506) USER MOD Single : A 44 THR OG1 : rot 157:sc= 1.25 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 60 SER OG : rot -90:sc= -0.0492 USER MOD Single : A 67 SER OG : rot 86:sc= 1.29 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.727 K(o=-0.73,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 142:sc= 1.21 (180deg=0.807) USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 94 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 100 LYS NZ :NH3+ 142:sc= -0.866 (180deg=-2.86!) USER MOD Single : A 103 LYS NZ :NH3+ -125:sc= 0.754 (180deg=0.58) USER MOD Single : A 106 GLN : amide:sc= -1.6! C(o=-1.6!,f=-2.8!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.037) USER MOD Single : A 112 SER OG : rot 57:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 12.600 10.437 1.477 1.00 0.00 N ATOM 2 CA ASN A 18 12.376 11.604 0.610 1.00 0.00 C ATOM 3 C ASN A 18 11.665 11.211 -0.686 1.00 0.00 C ATOM 4 O ASN A 18 10.436 11.190 -0.730 1.00 0.00 O ATOM 5 CB ASN A 18 13.692 12.367 0.328 1.00 0.00 C ATOM 6 CG ASN A 18 13.511 13.578 -0.569 1.00 0.00 C ATOM 7 OD1 ASN A 18 12.440 14.176 -0.628 1.00 0.00 O ATOM 8 ND2 ASN A 18 14.568 13.966 -1.242 1.00 0.00 N ATOM 0 HA ASN A 18 11.718 12.286 1.149 1.00 0.00 H new ATOM 0 HB2 ASN A 18 14.126 12.688 1.275 1.00 0.00 H new ATOM 0 HB3 ASN A 18 14.405 11.685 -0.135 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.517 14.791 -1.840 1.00 0.00 H new ATOM 0 HD22 ASN A 18 15.441 13.443 -1.167 1.00 0.00 H new ATOM 17 N THR A 19 12.413 10.812 -1.713 1.00 0.00 N ATOM 18 CA THR A 19 11.814 10.496 -2.997 1.00 0.00 C ATOM 19 C THR A 19 10.994 9.204 -2.923 1.00 0.00 C ATOM 20 O THR A 19 9.880 9.141 -3.437 1.00 0.00 O ATOM 21 CB THR A 19 12.866 10.467 -4.166 1.00 0.00 C ATOM 22 OG1 THR A 19 12.255 10.069 -5.401 1.00 0.00 O ATOM 23 CG2 THR A 19 14.043 9.551 -3.857 1.00 0.00 C ATOM 0 H THR A 19 13.426 10.702 -1.677 1.00 0.00 H new ATOM 0 HA THR A 19 11.126 11.307 -3.236 1.00 0.00 H new ATOM 0 HB THR A 19 13.246 11.483 -4.266 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.930 10.060 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 19 14.743 9.563 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 19 14.548 9.899 -2.956 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.682 8.534 -3.701 1.00 0.00 H new ATOM 31 N ALA A 20 11.509 8.209 -2.216 1.00 0.00 N ATOM 32 CA ALA A 20 10.806 6.952 -2.053 1.00 0.00 C ATOM 33 C ALA A 20 9.560 7.148 -1.197 1.00 0.00 C ATOM 34 O ALA A 20 8.546 6.517 -1.421 1.00 0.00 O ATOM 35 CB ALA A 20 11.715 5.894 -1.455 1.00 0.00 C ATOM 0 H ALA A 20 12.413 8.251 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 20 10.495 6.603 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.163 4.961 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.569 5.734 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.067 6.226 -0.478 1.00 0.00 H new ATOM 41 N THR A 21 9.645 8.055 -0.242 1.00 0.00 N ATOM 42 CA THR A 21 8.525 8.373 0.624 1.00 0.00 C ATOM 43 C THR A 21 7.419 9.037 -0.208 1.00 0.00 C ATOM 44 O THR A 21 6.244 8.706 -0.093 1.00 0.00 O ATOM 45 CB THR A 21 8.971 9.365 1.690 1.00 0.00 C ATOM 46 OG1 THR A 21 10.310 9.022 2.124 1.00 0.00 O ATOM 47 CG2 THR A 21 8.030 9.326 2.889 1.00 0.00 C ATOM 0 H THR A 21 10.490 8.591 -0.045 1.00 0.00 H new ATOM 0 HA THR A 21 8.160 7.457 1.089 1.00 0.00 H new ATOM 0 HB THR A 21 8.955 10.369 1.266 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.965 9.512 1.584 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.366 10.042 3.639 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.021 9.584 2.568 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.029 8.324 3.318 1.00 0.00 H new ATOM 55 N GLN A 22 7.832 9.950 -1.079 1.00 0.00 N ATOM 56 CA GLN A 22 6.928 10.659 -1.957 1.00 0.00 C ATOM 57 C GLN A 22 6.297 9.678 -2.941 1.00 0.00 C ATOM 58 O GLN A 22 5.124 9.781 -3.286 1.00 0.00 O ATOM 59 CB GLN A 22 7.676 11.771 -2.696 1.00 0.00 C ATOM 60 CG GLN A 22 6.779 12.679 -3.512 1.00 0.00 C ATOM 61 CD GLN A 22 5.721 13.342 -2.656 1.00 0.00 C ATOM 62 OE1 GLN A 22 4.624 12.819 -2.478 1.00 0.00 O ATOM 63 NE2 GLN A 22 6.039 14.467 -2.112 1.00 0.00 N ATOM 0 H GLN A 22 8.810 10.216 -1.192 1.00 0.00 H new ATOM 0 HA GLN A 22 6.135 11.119 -1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.221 12.373 -1.969 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.417 11.320 -3.356 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.383 13.444 -4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.298 12.101 -4.301 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.959 14.873 -2.281 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.370 14.951 -1.512 1.00 0.00 H new ATOM 72 N ARG A 23 7.082 8.723 -3.353 1.00 0.00 N ATOM 73 CA ARG A 23 6.658 7.676 -4.249 1.00 0.00 C ATOM 74 C ARG A 23 5.621 6.783 -3.552 1.00 0.00 C ATOM 75 O ARG A 23 4.707 6.256 -4.186 1.00 0.00 O ATOM 76 CB ARG A 23 7.888 6.877 -4.652 1.00 0.00 C ATOM 77 CG ARG A 23 7.711 5.925 -5.808 1.00 0.00 C ATOM 78 CD ARG A 23 9.047 5.301 -6.161 1.00 0.00 C ATOM 79 NE ARG A 23 10.099 6.331 -6.315 1.00 0.00 N ATOM 80 CZ ARG A 23 11.411 6.121 -6.138 1.00 0.00 C ATOM 81 NH1 ARG A 23 11.880 4.877 -5.982 1.00 0.00 N ATOM 82 NH2 ARG A 23 12.254 7.157 -6.124 1.00 0.00 N ATOM 0 H ARG A 23 8.059 8.646 -3.070 1.00 0.00 H new ATOM 0 HA ARG A 23 6.188 8.094 -5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.685 7.577 -4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.226 6.307 -3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.993 5.148 -5.546 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.306 6.455 -6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.338 4.595 -5.383 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.952 4.734 -7.087 1.00 0.00 H new ATOM 0 HE ARG A 23 9.803 7.272 -6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.238 4.084 -5.998 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.879 4.722 -5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.899 8.105 -6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.253 7.000 -5.989 1.00 0.00 H new ATOM 96 N PHE A 24 5.745 6.655 -2.239 1.00 0.00 N ATOM 97 CA PHE A 24 4.805 5.872 -1.456 1.00 0.00 C ATOM 98 C PHE A 24 3.597 6.700 -1.054 1.00 0.00 C ATOM 99 O PHE A 24 2.596 6.172 -0.579 1.00 0.00 O ATOM 100 CB PHE A 24 5.480 5.206 -0.244 1.00 0.00 C ATOM 101 CG PHE A 24 6.223 3.928 -0.578 1.00 0.00 C ATOM 102 CD1 PHE A 24 7.021 3.834 -1.710 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.091 2.807 0.225 1.00 0.00 C ATOM 104 CE1 PHE A 24 7.673 2.664 -2.025 1.00 0.00 C ATOM 105 CE2 PHE A 24 6.740 1.632 -0.093 1.00 0.00 C ATOM 106 CZ PHE A 24 7.529 1.560 -1.213 1.00 0.00 C ATOM 0 H PHE A 24 6.491 7.086 -1.693 1.00 0.00 H new ATOM 0 HA PHE A 24 4.445 5.064 -2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.178 5.913 0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.721 4.987 0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.132 4.694 -2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.473 2.853 1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.296 2.611 -2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.627 0.766 0.542 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.037 0.639 -1.458 1.00 0.00 H new ATOM 116 N HIS A 25 3.666 7.998 -1.308 1.00 0.00 N ATOM 117 CA HIS A 25 2.544 8.894 -1.044 1.00 0.00 C ATOM 118 C HIS A 25 1.435 8.588 -2.044 1.00 0.00 C ATOM 119 O HIS A 25 0.264 8.860 -1.801 1.00 0.00 O ATOM 120 CB HIS A 25 2.978 10.366 -1.140 1.00 0.00 C ATOM 121 CG HIS A 25 1.950 11.370 -0.676 1.00 0.00 C ATOM 122 ND1 HIS A 25 2.009 11.983 0.547 1.00 0.00 N ATOM 123 CD2 HIS A 25 0.856 11.879 -1.285 1.00 0.00 C ATOM 124 CE1 HIS A 25 1.004 12.813 0.675 1.00 0.00 C ATOM 125 NE2 HIS A 25 0.291 12.768 -0.420 1.00 0.00 N ATOM 0 H HIS A 25 4.489 8.458 -1.698 1.00 0.00 H new ATOM 0 HA HIS A 25 2.179 8.733 -0.030 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.885 10.500 -0.551 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.235 10.586 -2.176 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.497 11.628 -2.272 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.799 13.429 1.538 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.553 13.312 -0.598 1.00 0.00 H new ATOM 134 N GLU A 26 1.817 7.991 -3.154 1.00 0.00 N ATOM 135 CA GLU A 26 0.869 7.556 -4.151 1.00 0.00 C ATOM 136 C GLU A 26 0.051 6.408 -3.592 1.00 0.00 C ATOM 137 O GLU A 26 -1.123 6.257 -3.876 1.00 0.00 O ATOM 138 CB GLU A 26 1.592 7.117 -5.423 1.00 0.00 C ATOM 139 CG GLU A 26 2.452 8.201 -6.036 1.00 0.00 C ATOM 140 CD GLU A 26 1.665 9.455 -6.311 1.00 0.00 C ATOM 141 OE1 GLU A 26 0.970 9.521 -7.346 1.00 0.00 O ATOM 142 OE2 GLU A 26 1.711 10.377 -5.490 1.00 0.00 O ATOM 0 H GLU A 26 2.791 7.796 -3.387 1.00 0.00 H new ATOM 0 HA GLU A 26 0.209 8.386 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.217 6.254 -5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.854 6.792 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.279 8.432 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.889 7.836 -6.965 1.00 0.00 H new ATOM 149 N ILE A 27 0.668 5.639 -2.747 1.00 0.00 N ATOM 150 CA ILE A 27 0.004 4.515 -2.153 1.00 0.00 C ATOM 151 C ILE A 27 -0.856 5.035 -0.998 1.00 0.00 C ATOM 152 O ILE A 27 -1.952 4.539 -0.737 1.00 0.00 O ATOM 153 CB ILE A 27 0.999 3.457 -1.633 1.00 0.00 C ATOM 154 CG1 ILE A 27 2.197 3.281 -2.604 1.00 0.00 C ATOM 155 CG2 ILE A 27 0.268 2.137 -1.471 1.00 0.00 C ATOM 156 CD1 ILE A 27 1.831 2.874 -4.016 1.00 0.00 C ATOM 0 H ILE A 27 1.635 5.769 -2.451 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.607 4.025 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 27 1.396 3.790 -0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.750 4.219 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.871 2.531 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.961 1.380 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.548 2.258 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.135 1.823 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.738 2.778 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.307 1.918 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.184 3.632 -4.457 1.00 0.00 H new ATOM 168 N GLU A 28 -0.340 6.068 -0.340 1.00 0.00 N ATOM 169 CA GLU A 28 -1.030 6.761 0.738 1.00 0.00 C ATOM 170 C GLU A 28 -2.356 7.333 0.213 1.00 0.00 C ATOM 171 O GLU A 28 -3.413 7.202 0.861 1.00 0.00 O ATOM 172 CB GLU A 28 -0.138 7.905 1.243 1.00 0.00 C ATOM 173 CG GLU A 28 -0.657 8.647 2.464 1.00 0.00 C ATOM 174 CD GLU A 28 -0.614 7.811 3.715 1.00 0.00 C ATOM 175 OE1 GLU A 28 0.475 7.663 4.291 1.00 0.00 O ATOM 176 OE2 GLU A 28 -1.661 7.317 4.169 1.00 0.00 O ATOM 0 H GLU A 28 0.583 6.451 -0.545 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.238 6.068 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.846 7.499 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.003 8.622 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.064 9.549 2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.683 8.966 2.281 1.00 0.00 H new ATOM 183 N LYS A 29 -2.303 7.951 -0.968 1.00 0.00 N ATOM 184 CA LYS A 29 -3.501 8.505 -1.575 1.00 0.00 C ATOM 185 C LYS A 29 -4.472 7.374 -1.955 1.00 0.00 C ATOM 186 O LYS A 29 -5.672 7.521 -1.809 1.00 0.00 O ATOM 187 CB LYS A 29 -3.199 9.431 -2.781 1.00 0.00 C ATOM 188 CG LYS A 29 -2.769 8.716 -4.035 1.00 0.00 C ATOM 189 CD LYS A 29 -2.410 9.662 -5.152 1.00 0.00 C ATOM 190 CE LYS A 29 -2.109 8.881 -6.411 1.00 0.00 C ATOM 191 NZ LYS A 29 -1.698 9.749 -7.520 1.00 0.00 N ATOM 0 H LYS A 29 -1.450 8.077 -1.514 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.977 9.142 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.090 10.018 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.417 10.134 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.910 8.083 -3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.572 8.058 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.232 10.355 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.544 10.261 -4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.320 8.158 -6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.993 8.314 -6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.311 9.576 -8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.780 10.745 -7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.711 9.543 -7.775 1.00 0.00 H new ATOM 205 N PHE A 30 -3.933 6.230 -2.417 1.00 0.00 N ATOM 206 CA PHE A 30 -4.767 5.053 -2.698 1.00 0.00 C ATOM 207 C PHE A 30 -5.502 4.592 -1.464 1.00 0.00 C ATOM 208 O PHE A 30 -6.686 4.302 -1.524 1.00 0.00 O ATOM 209 CB PHE A 30 -3.964 3.892 -3.268 1.00 0.00 C ATOM 210 CG PHE A 30 -3.967 3.817 -4.765 1.00 0.00 C ATOM 211 CD1 PHE A 30 -3.129 4.610 -5.526 1.00 0.00 C ATOM 212 CD2 PHE A 30 -4.831 2.946 -5.414 1.00 0.00 C ATOM 213 CE1 PHE A 30 -3.145 4.538 -6.904 1.00 0.00 C ATOM 214 CE2 PHE A 30 -4.853 2.871 -6.792 1.00 0.00 C ATOM 215 CZ PHE A 30 -4.010 3.667 -7.537 1.00 0.00 C ATOM 0 H PHE A 30 -2.938 6.099 -2.600 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.488 5.370 -3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.934 3.973 -2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.362 2.959 -2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.453 5.295 -5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.493 2.320 -4.834 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.483 5.161 -7.486 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.530 2.189 -7.286 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.026 3.610 -8.615 1.00 0.00 H new ATOM 225 N LEU A 31 -4.804 4.563 -0.350 1.00 0.00 N ATOM 226 CA LEU A 31 -5.368 4.145 0.929 1.00 0.00 C ATOM 227 C LEU A 31 -6.574 5.018 1.298 1.00 0.00 C ATOM 228 O LEU A 31 -7.660 4.504 1.660 1.00 0.00 O ATOM 229 CB LEU A 31 -4.281 4.215 2.017 1.00 0.00 C ATOM 230 CG LEU A 31 -4.690 3.831 3.439 1.00 0.00 C ATOM 231 CD1 LEU A 31 -5.092 2.378 3.507 1.00 0.00 C ATOM 232 CD2 LEU A 31 -3.564 4.116 4.414 1.00 0.00 C ATOM 0 H LEU A 31 -3.821 4.830 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.718 3.116 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.459 3.566 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.892 5.233 2.041 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.551 4.437 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.379 2.127 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.936 2.202 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.252 1.753 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.875 3.836 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.684 3.538 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.323 5.179 4.391 1.00 0.00 H new ATOM 244 N LEU A 32 -6.409 6.321 1.170 1.00 0.00 N ATOM 245 CA LEU A 32 -7.498 7.220 1.463 1.00 0.00 C ATOM 246 C LEU A 32 -8.589 7.091 0.409 1.00 0.00 C ATOM 247 O LEU A 32 -9.775 7.156 0.721 1.00 0.00 O ATOM 248 CB LEU A 32 -7.028 8.694 1.709 1.00 0.00 C ATOM 249 CG LEU A 32 -6.358 9.471 0.560 1.00 0.00 C ATOM 250 CD1 LEU A 32 -7.380 10.069 -0.406 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.433 10.546 1.103 1.00 0.00 C ATOM 0 H LEU A 32 -5.544 6.771 0.870 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.935 6.920 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.899 9.267 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.330 8.680 2.546 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.763 8.755 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.860 10.607 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.979 9.270 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.031 10.757 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.971 11.082 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.006 11.245 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.657 10.084 1.713 1.00 0.00 H new ATOM 263 N HIS A 33 -8.175 6.867 -0.825 1.00 0.00 N ATOM 264 CA HIS A 33 -9.085 6.692 -1.940 1.00 0.00 C ATOM 265 C HIS A 33 -9.996 5.492 -1.702 1.00 0.00 C ATOM 266 O HIS A 33 -11.191 5.618 -1.837 1.00 0.00 O ATOM 267 CB HIS A 33 -8.305 6.548 -3.270 1.00 0.00 C ATOM 268 CG HIS A 33 -9.160 6.436 -4.509 1.00 0.00 C ATOM 269 ND1 HIS A 33 -9.591 7.522 -5.227 1.00 0.00 N ATOM 270 CD2 HIS A 33 -9.648 5.349 -5.153 1.00 0.00 C ATOM 271 CE1 HIS A 33 -10.304 7.114 -6.254 1.00 0.00 C ATOM 272 NE2 HIS A 33 -10.354 5.797 -6.231 1.00 0.00 N ATOM 0 H HIS A 33 -7.190 6.801 -1.082 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.711 7.581 -2.018 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.645 7.408 -3.380 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.669 5.665 -3.206 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.505 4.318 -4.866 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.770 7.751 -6.992 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -10.841 5.209 -6.908 1.00 0.00 H new ATOM 281 N ILE A 34 -9.423 4.360 -1.286 1.00 0.00 N ATOM 282 CA ILE A 34 -10.182 3.147 -1.054 1.00 0.00 C ATOM 283 C ILE A 34 -11.199 3.368 0.053 1.00 0.00 C ATOM 284 O ILE A 34 -12.360 3.060 -0.118 1.00 0.00 O ATOM 285 CB ILE A 34 -9.237 1.977 -0.675 1.00 0.00 C ATOM 286 CG1 ILE A 34 -8.268 1.691 -1.819 1.00 0.00 C ATOM 287 CG2 ILE A 34 -10.028 0.714 -0.330 1.00 0.00 C ATOM 288 CD1 ILE A 34 -7.203 0.696 -1.460 1.00 0.00 C ATOM 0 H ILE A 34 -8.424 4.267 -1.104 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.707 2.889 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.672 2.274 0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.829 1.319 -2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.795 2.624 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.337 -0.088 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.686 0.916 0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.625 0.412 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.548 0.538 -2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.618 1.075 -0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.668 -0.249 -1.180 1.00 0.00 H new ATOM 300 N THR A 35 -10.770 3.976 1.142 1.00 0.00 N ATOM 301 CA THR A 35 -11.658 4.252 2.266 1.00 0.00 C ATOM 302 C THR A 35 -12.839 5.186 1.818 1.00 0.00 C ATOM 303 O THR A 35 -14.006 5.002 2.229 1.00 0.00 O ATOM 304 CB THR A 35 -10.864 4.899 3.402 1.00 0.00 C ATOM 305 OG1 THR A 35 -9.626 4.155 3.609 1.00 0.00 O ATOM 306 CG2 THR A 35 -11.664 4.897 4.701 1.00 0.00 C ATOM 0 H THR A 35 -9.809 4.291 1.277 1.00 0.00 H new ATOM 0 HA THR A 35 -12.084 3.313 2.621 1.00 0.00 H new ATOM 0 HB THR A 35 -10.649 5.931 3.125 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.960 4.438 2.948 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.076 5.363 5.491 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.589 5.456 4.560 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.900 3.870 4.981 1.00 0.00 H new ATOM 314 N HIS A 36 -12.530 6.144 0.936 1.00 0.00 N ATOM 315 CA HIS A 36 -13.549 7.037 0.369 1.00 0.00 C ATOM 316 C HIS A 36 -14.493 6.277 -0.525 1.00 0.00 C ATOM 317 O HIS A 36 -15.701 6.529 -0.516 1.00 0.00 O ATOM 318 CB HIS A 36 -12.944 8.213 -0.400 1.00 0.00 C ATOM 319 CG HIS A 36 -12.445 9.338 0.451 1.00 0.00 C ATOM 320 ND1 HIS A 36 -11.184 9.390 0.968 1.00 0.00 N ATOM 321 CD2 HIS A 36 -13.053 10.474 0.848 1.00 0.00 C ATOM 322 CE1 HIS A 36 -11.027 10.500 1.641 1.00 0.00 C ATOM 323 NE2 HIS A 36 -12.147 11.179 1.586 1.00 0.00 N ATOM 0 H HIS A 36 -11.584 6.321 0.599 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.100 7.447 1.215 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.118 7.843 -1.007 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.695 8.603 -1.087 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -10.471 8.671 0.848 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.067 10.771 0.624 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.128 10.805 2.155 1.00 0.00 H new ATOM 332 N GLU A 37 -13.948 5.331 -1.277 1.00 0.00 N ATOM 333 CA GLU A 37 -14.740 4.477 -2.146 1.00 0.00 C ATOM 334 C GLU A 37 -15.681 3.632 -1.314 1.00 0.00 C ATOM 335 O GLU A 37 -16.791 3.363 -1.730 1.00 0.00 O ATOM 336 CB GLU A 37 -13.854 3.556 -2.979 1.00 0.00 C ATOM 337 CG GLU A 37 -12.904 4.258 -3.921 1.00 0.00 C ATOM 338 CD GLU A 37 -13.604 5.045 -4.978 1.00 0.00 C ATOM 339 OE1 GLU A 37 -13.969 4.457 -6.017 1.00 0.00 O ATOM 340 OE2 GLU A 37 -13.792 6.266 -4.814 1.00 0.00 O ATOM 0 H GLU A 37 -12.947 5.136 -1.301 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.305 5.121 -2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.273 2.928 -2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.493 2.892 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.259 4.924 -3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.258 3.518 -4.395 1.00 0.00 H new ATOM 347 N VAL A 38 -15.239 3.260 -0.105 1.00 0.00 N ATOM 348 CA VAL A 38 -16.039 2.446 0.785 1.00 0.00 C ATOM 349 C VAL A 38 -17.251 3.235 1.169 1.00 0.00 C ATOM 350 O VAL A 38 -18.364 2.758 1.096 1.00 0.00 O ATOM 351 CB VAL A 38 -15.293 2.019 2.090 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.172 1.079 2.911 1.00 0.00 C ATOM 353 CG2 VAL A 38 -13.993 1.322 1.784 1.00 0.00 C ATOM 0 H VAL A 38 -14.326 3.517 0.269 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.286 1.529 0.250 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.079 2.927 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.644 0.787 3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.098 1.588 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.403 0.190 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.503 1.040 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.190 0.428 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.344 1.993 1.221 1.00 0.00 H new ATOM 363 N ASP A 39 -17.026 4.466 1.524 1.00 0.00 N ATOM 364 CA ASP A 39 -18.105 5.337 1.914 1.00 0.00 C ATOM 365 C ASP A 39 -19.045 5.601 0.736 1.00 0.00 C ATOM 366 O ASP A 39 -20.307 5.589 0.876 1.00 0.00 O ATOM 367 CB ASP A 39 -17.566 6.640 2.485 1.00 0.00 C ATOM 368 CG ASP A 39 -18.658 7.622 2.795 1.00 0.00 C ATOM 369 OD1 ASP A 39 -19.373 7.445 3.804 1.00 0.00 O ATOM 370 OD2 ASP A 39 -18.820 8.595 2.037 1.00 0.00 O ATOM 0 H ASP A 39 -16.101 4.895 1.553 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.679 4.839 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.001 6.430 3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.871 7.086 1.773 1.00 0.00 H new ATOM 375 N ASP A 40 -18.442 5.755 -0.430 1.00 0.00 N ATOM 376 CA ASP A 40 -19.159 6.056 -1.634 1.00 0.00 C ATOM 377 C ASP A 40 -20.068 4.918 -1.962 1.00 0.00 C ATOM 378 O ASP A 40 -21.243 5.117 -2.137 1.00 0.00 O ATOM 379 CB ASP A 40 -18.205 6.325 -2.798 1.00 0.00 C ATOM 380 CG ASP A 40 -18.894 6.913 -4.018 1.00 0.00 C ATOM 381 OD1 ASP A 40 -19.652 6.211 -4.698 1.00 0.00 O ATOM 382 OD2 ASP A 40 -18.662 8.105 -4.317 1.00 0.00 O ATOM 0 H ASP A 40 -17.433 5.672 -0.558 1.00 0.00 H new ATOM 0 HA ASP A 40 -19.745 6.961 -1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.423 7.008 -2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.716 5.393 -3.080 1.00 0.00 H new ATOM 387 N LEU A 41 -19.547 3.718 -1.909 1.00 0.00 N ATOM 388 CA LEU A 41 -20.311 2.551 -2.250 1.00 0.00 C ATOM 389 C LEU A 41 -21.409 2.319 -1.234 1.00 0.00 C ATOM 390 O LEU A 41 -22.501 1.902 -1.587 1.00 0.00 O ATOM 391 CB LEU A 41 -19.410 1.311 -2.515 1.00 0.00 C ATOM 392 CG LEU A 41 -18.516 0.794 -1.380 1.00 0.00 C ATOM 393 CD1 LEU A 41 -19.299 -0.004 -0.369 1.00 0.00 C ATOM 394 CD2 LEU A 41 -17.360 -0.017 -1.926 1.00 0.00 C ATOM 0 H LEU A 41 -18.585 3.526 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.809 2.729 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.058 0.491 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.766 1.545 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.111 1.666 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -18.629 -0.352 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -20.076 0.624 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -19.759 -0.862 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.742 -0.371 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.746 -0.871 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.759 0.606 -2.588 1.00 0.00 H new ATOM 406 N GLU A 42 -21.126 2.640 0.030 1.00 0.00 N ATOM 407 CA GLU A 42 -22.111 2.502 1.077 1.00 0.00 C ATOM 408 C GLU A 42 -23.342 3.386 0.835 1.00 0.00 C ATOM 409 O GLU A 42 -24.439 3.052 1.293 1.00 0.00 O ATOM 410 CB GLU A 42 -21.531 2.718 2.490 1.00 0.00 C ATOM 411 CG GLU A 42 -20.509 1.664 2.933 1.00 0.00 C ATOM 412 CD GLU A 42 -21.079 0.256 3.075 1.00 0.00 C ATOM 413 OE1 GLU A 42 -21.534 -0.326 2.086 1.00 0.00 O ATOM 414 OE2 GLU A 42 -21.006 -0.332 4.176 1.00 0.00 O ATOM 0 H GLU A 42 -20.222 2.995 0.342 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.439 1.463 1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -21.059 3.700 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -22.352 2.731 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.692 1.641 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.082 1.968 3.889 1.00 0.00 H new ATOM 421 N LYS A 43 -23.199 4.521 0.123 1.00 0.00 N ATOM 422 CA LYS A 43 -24.425 5.261 -0.177 1.00 0.00 C ATOM 423 C LYS A 43 -24.862 5.018 -1.620 1.00 0.00 C ATOM 424 O LYS A 43 -26.044 5.073 -1.946 1.00 0.00 O ATOM 425 CB LYS A 43 -24.383 6.782 0.136 1.00 0.00 C ATOM 426 CG LYS A 43 -23.690 7.685 -0.890 1.00 0.00 C ATOM 427 CD LYS A 43 -22.199 7.724 -0.764 1.00 0.00 C ATOM 428 CE LYS A 43 -21.606 8.718 -1.766 1.00 0.00 C ATOM 429 NZ LYS A 43 -22.167 10.084 -1.607 1.00 0.00 N ATOM 0 H LYS A 43 -22.325 4.914 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.167 4.858 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -25.408 7.131 0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.885 6.917 1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -23.950 7.344 -1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -24.079 8.698 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -21.920 8.010 0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.786 6.731 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.524 8.755 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.797 8.365 -2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.534 10.774 -2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.104 10.129 -2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.256 10.307 -0.595 1.00 0.00 H new ATOM 443 N THR A 44 -23.898 4.749 -2.458 1.00 0.00 N ATOM 444 CA THR A 44 -24.096 4.512 -3.861 1.00 0.00 C ATOM 445 C THR A 44 -24.820 3.172 -4.154 1.00 0.00 C ATOM 446 O THR A 44 -25.651 3.098 -5.071 1.00 0.00 O ATOM 447 CB THR A 44 -22.732 4.647 -4.592 1.00 0.00 C ATOM 448 OG1 THR A 44 -22.328 6.036 -4.648 1.00 0.00 O ATOM 449 CG2 THR A 44 -22.725 4.054 -5.956 1.00 0.00 C ATOM 0 H THR A 44 -22.921 4.687 -2.173 1.00 0.00 H new ATOM 0 HA THR A 44 -24.775 5.269 -4.253 1.00 0.00 H new ATOM 0 HB THR A 44 -22.014 4.074 -4.006 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.356 6.090 -4.761 1.00 0.00 H new ATOM 0 HG21 THR A 44 -21.741 4.186 -6.405 1.00 0.00 H new ATOM 0 HG22 THR A 44 -22.955 2.991 -5.892 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.474 4.551 -6.572 1.00 0.00 H new ATOM 457 N GLY A 45 -24.554 2.148 -3.376 1.00 0.00 N ATOM 458 CA GLY A 45 -25.240 0.894 -3.605 1.00 0.00 C ATOM 459 C GLY A 45 -24.716 -0.260 -2.788 1.00 0.00 C ATOM 460 O GLY A 45 -25.489 -0.895 -2.058 1.00 0.00 O ATOM 0 H GLY A 45 -23.890 2.153 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -26.299 1.028 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -25.163 0.640 -4.662 1.00 0.00 H new ATOM 464 N ASN A 46 -23.409 -0.533 -2.923 1.00 0.00 N ATOM 465 CA ASN A 46 -22.700 -1.671 -2.261 1.00 0.00 C ATOM 466 C ASN A 46 -23.084 -2.973 -2.993 1.00 0.00 C ATOM 467 O ASN A 46 -23.044 -4.066 -2.445 1.00 0.00 O ATOM 468 CB ASN A 46 -23.050 -1.769 -0.740 1.00 0.00 C ATOM 469 CG ASN A 46 -22.191 -2.772 0.024 1.00 0.00 C ATOM 470 OD1 ASN A 46 -21.022 -2.944 -0.269 1.00 0.00 O ATOM 471 ND2 ASN A 46 -22.773 -3.453 0.994 1.00 0.00 N ATOM 0 H ASN A 46 -22.792 0.034 -3.504 1.00 0.00 H new ATOM 0 HA ASN A 46 -21.624 -1.505 -2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.935 -0.785 -0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -24.099 -2.048 -0.635 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -22.241 -4.146 1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.754 -3.286 1.216 1.00 0.00 H new ATOM 478 N LYS A 47 -23.383 -2.833 -4.275 1.00 0.00 N ATOM 479 CA LYS A 47 -23.930 -3.934 -5.084 1.00 0.00 C ATOM 480 C LYS A 47 -22.916 -5.085 -5.288 1.00 0.00 C ATOM 481 O LYS A 47 -23.217 -6.244 -5.028 1.00 0.00 O ATOM 482 CB LYS A 47 -24.408 -3.349 -6.419 1.00 0.00 C ATOM 483 CG LYS A 47 -25.036 -4.319 -7.397 1.00 0.00 C ATOM 484 CD LYS A 47 -25.438 -3.582 -8.664 1.00 0.00 C ATOM 485 CE LYS A 47 -26.048 -4.505 -9.706 1.00 0.00 C ATOM 486 NZ LYS A 47 -26.368 -3.773 -10.954 1.00 0.00 N ATOM 0 H LYS A 47 -23.258 -1.962 -4.791 1.00 0.00 H new ATOM 0 HA LYS A 47 -24.768 -4.386 -4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -25.132 -2.562 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -23.557 -2.875 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -24.332 -5.116 -7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -25.909 -4.790 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -26.154 -2.799 -8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -24.562 -3.090 -9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -25.355 -5.317 -9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -26.954 -4.959 -9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -26.783 -4.430 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -27.048 -3.014 -10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -25.498 -3.360 -11.347 1.00 0.00 H new ATOM 500 N ASP A 48 -21.739 -4.747 -5.711 1.00 0.00 N ATOM 501 CA ASP A 48 -20.620 -5.716 -5.820 1.00 0.00 C ATOM 502 C ASP A 48 -19.351 -4.946 -5.656 1.00 0.00 C ATOM 503 O ASP A 48 -18.235 -5.434 -5.845 1.00 0.00 O ATOM 504 CB ASP A 48 -20.622 -6.500 -7.155 1.00 0.00 C ATOM 505 CG ASP A 48 -20.371 -5.662 -8.393 1.00 0.00 C ATOM 506 OD1 ASP A 48 -19.207 -5.505 -8.799 1.00 0.00 O ATOM 507 OD2 ASP A 48 -21.346 -5.175 -9.002 1.00 0.00 O ATOM 0 H ASP A 48 -21.495 -3.799 -5.998 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.728 -6.473 -5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -19.861 -7.279 -7.102 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.584 -7.001 -7.263 1.00 0.00 H new ATOM 512 N GLU A 49 -19.568 -3.755 -5.198 1.00 0.00 N ATOM 513 CA GLU A 49 -18.598 -2.720 -5.034 1.00 0.00 C ATOM 514 C GLU A 49 -17.685 -3.027 -3.891 1.00 0.00 C ATOM 515 O GLU A 49 -16.517 -2.730 -3.949 1.00 0.00 O ATOM 516 CB GLU A 49 -19.354 -1.432 -4.823 1.00 0.00 C ATOM 517 CG GLU A 49 -20.269 -1.119 -5.988 1.00 0.00 C ATOM 518 CD GLU A 49 -21.332 -0.121 -5.662 1.00 0.00 C ATOM 519 OE1 GLU A 49 -21.036 1.058 -5.550 1.00 0.00 O ATOM 520 OE2 GLU A 49 -22.503 -0.533 -5.518 1.00 0.00 O ATOM 0 H GLU A 49 -20.499 -3.458 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.962 -2.635 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.942 -1.502 -3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.647 -0.614 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -19.671 -0.742 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -20.740 -2.042 -6.327 1.00 0.00 H new ATOM 527 N LYS A 50 -18.228 -3.630 -2.866 1.00 0.00 N ATOM 528 CA LYS A 50 -17.476 -3.947 -1.666 1.00 0.00 C ATOM 529 C LYS A 50 -16.381 -4.936 -2.033 1.00 0.00 C ATOM 530 O LYS A 50 -15.207 -4.726 -1.745 1.00 0.00 O ATOM 531 CB LYS A 50 -18.450 -4.552 -0.651 1.00 0.00 C ATOM 532 CG LYS A 50 -18.141 -4.315 0.816 1.00 0.00 C ATOM 533 CD LYS A 50 -18.043 -2.833 1.084 1.00 0.00 C ATOM 534 CE LYS A 50 -18.531 -2.440 2.473 1.00 0.00 C ATOM 535 NZ LYS A 50 -20.002 -2.560 2.593 1.00 0.00 N ATOM 0 H LYS A 50 -19.206 -3.918 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.011 -3.062 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.445 -4.157 -0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.493 -5.628 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.921 -4.756 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.205 -4.805 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.006 -2.517 0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.626 -2.296 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.052 -3.074 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -18.231 -1.414 2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.292 -2.317 3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.459 -1.911 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.289 -3.537 2.381 1.00 0.00 H new ATOM 549 N ALA A 51 -16.787 -5.956 -2.732 1.00 0.00 N ATOM 550 CA ALA A 51 -15.883 -6.984 -3.225 1.00 0.00 C ATOM 551 C ALA A 51 -14.930 -6.409 -4.275 1.00 0.00 C ATOM 552 O ALA A 51 -13.726 -6.681 -4.256 1.00 0.00 O ATOM 553 CB ALA A 51 -16.674 -8.150 -3.798 1.00 0.00 C ATOM 0 H ALA A 51 -17.763 -6.110 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.285 -7.348 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -15.986 -8.912 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.308 -8.576 -3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.296 -7.798 -4.621 1.00 0.00 H new ATOM 559 N ARG A 52 -15.480 -5.593 -5.164 1.00 0.00 N ATOM 560 CA ARG A 52 -14.712 -4.941 -6.219 1.00 0.00 C ATOM 561 C ARG A 52 -13.623 -4.066 -5.632 1.00 0.00 C ATOM 562 O ARG A 52 -12.470 -4.113 -6.069 1.00 0.00 O ATOM 563 CB ARG A 52 -15.622 -4.085 -7.103 1.00 0.00 C ATOM 564 CG ARG A 52 -14.881 -3.289 -8.164 1.00 0.00 C ATOM 565 CD ARG A 52 -15.810 -2.366 -8.922 1.00 0.00 C ATOM 566 NE ARG A 52 -15.081 -1.581 -9.924 1.00 0.00 N ATOM 567 CZ ARG A 52 -15.647 -0.942 -10.957 1.00 0.00 C ATOM 568 NH1 ARG A 52 -16.971 -0.845 -11.047 1.00 0.00 N ATOM 569 NH2 ARG A 52 -14.886 -0.363 -11.872 1.00 0.00 N ATOM 0 H ARG A 52 -16.474 -5.363 -5.175 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.255 -5.724 -6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.350 -4.732 -7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.182 -3.396 -6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.091 -2.704 -7.694 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.399 -3.974 -8.862 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.588 -2.952 -9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.309 -1.694 -8.223 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.068 -1.517 -9.827 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.563 -1.259 -10.327 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.394 -0.357 -11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.870 -0.404 -11.790 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.315 0.124 -12.659 1.00 0.00 H new ATOM 583 N LEU A 53 -13.970 -3.288 -4.631 1.00 0.00 N ATOM 584 CA LEU A 53 -13.041 -2.396 -4.056 1.00 0.00 C ATOM 585 C LEU A 53 -11.954 -3.140 -3.270 1.00 0.00 C ATOM 586 O LEU A 53 -10.799 -2.720 -3.222 1.00 0.00 O ATOM 587 CB LEU A 53 -13.764 -1.420 -3.191 1.00 0.00 C ATOM 588 CG LEU A 53 -12.872 -0.505 -2.458 1.00 0.00 C ATOM 589 CD1 LEU A 53 -12.134 0.437 -3.419 1.00 0.00 C ATOM 590 CD2 LEU A 53 -13.610 0.229 -1.392 1.00 0.00 C ATOM 0 H LEU A 53 -14.899 -3.270 -4.210 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.534 -1.856 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.443 -0.833 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.377 -1.967 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.110 -1.101 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.483 1.101 -2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.535 -0.150 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.859 1.030 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.925 0.896 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.413 0.813 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.033 -0.485 -0.685 1.00 0.00 H new ATOM 602 N LEU A 54 -12.314 -4.243 -2.677 1.00 0.00 N ATOM 603 CA LEU A 54 -11.344 -5.059 -1.986 1.00 0.00 C ATOM 604 C LEU A 54 -10.372 -5.673 -2.981 1.00 0.00 C ATOM 605 O LEU A 54 -9.185 -5.876 -2.697 1.00 0.00 O ATOM 606 CB LEU A 54 -11.998 -6.092 -1.087 1.00 0.00 C ATOM 607 CG LEU A 54 -12.876 -5.512 0.022 1.00 0.00 C ATOM 608 CD1 LEU A 54 -13.346 -6.596 0.959 1.00 0.00 C ATOM 609 CD2 LEU A 54 -12.152 -4.390 0.773 1.00 0.00 C ATOM 0 H LEU A 54 -13.269 -4.601 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.771 -4.417 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.605 -6.756 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.218 -6.703 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.759 -5.073 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.969 -6.158 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.926 -7.332 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.483 -7.083 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.802 -3.998 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.240 -4.782 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.899 -3.590 0.077 1.00 0.00 H new ATOM 621 N ARG A 55 -10.876 -5.948 -4.154 1.00 0.00 N ATOM 622 CA ARG A 55 -10.057 -6.469 -5.235 1.00 0.00 C ATOM 623 C ARG A 55 -9.079 -5.371 -5.675 1.00 0.00 C ATOM 624 O ARG A 55 -7.917 -5.637 -5.972 1.00 0.00 O ATOM 625 CB ARG A 55 -10.937 -6.915 -6.404 1.00 0.00 C ATOM 626 CG ARG A 55 -10.181 -7.552 -7.555 1.00 0.00 C ATOM 627 CD ARG A 55 -11.117 -7.887 -8.700 1.00 0.00 C ATOM 628 NE ARG A 55 -11.726 -6.684 -9.289 1.00 0.00 N ATOM 629 CZ ARG A 55 -12.903 -6.645 -9.932 1.00 0.00 C ATOM 630 NH1 ARG A 55 -13.654 -7.737 -10.029 1.00 0.00 N ATOM 631 NH2 ARG A 55 -13.318 -5.510 -10.471 1.00 0.00 N ATOM 0 H ARG A 55 -11.859 -5.821 -4.395 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.498 -7.340 -4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.677 -7.625 -6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.485 -6.051 -6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.403 -6.873 -7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.683 -8.458 -7.211 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.567 -8.428 -9.470 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.903 -8.552 -8.342 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.211 -5.808 -9.201 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.337 -8.613 -9.613 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.548 -7.699 -10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.744 -4.670 -10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.212 -5.475 -10.961 1.00 0.00 H new ATOM 645 N GLU A 56 -9.561 -4.132 -5.653 1.00 0.00 N ATOM 646 CA GLU A 56 -8.769 -2.963 -5.964 1.00 0.00 C ATOM 647 C GLU A 56 -7.621 -2.828 -4.942 1.00 0.00 C ATOM 648 O GLU A 56 -6.489 -2.543 -5.313 1.00 0.00 O ATOM 649 CB GLU A 56 -9.666 -1.717 -5.919 1.00 0.00 C ATOM 650 CG GLU A 56 -8.983 -0.415 -6.287 1.00 0.00 C ATOM 651 CD GLU A 56 -8.640 -0.317 -7.754 1.00 0.00 C ATOM 652 OE1 GLU A 56 -7.558 -0.797 -8.174 1.00 0.00 O ATOM 653 OE2 GLU A 56 -9.460 0.235 -8.526 1.00 0.00 O ATOM 0 H GLU A 56 -10.529 -3.917 -5.414 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.342 -3.062 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.508 -1.871 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.077 -1.621 -4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.632 0.418 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.071 -0.312 -5.700 1.00 0.00 H new ATOM 660 N LEU A 57 -7.905 -3.090 -3.661 1.00 0.00 N ATOM 661 CA LEU A 57 -6.871 -2.999 -2.644 1.00 0.00 C ATOM 662 C LEU A 57 -5.877 -4.120 -2.800 1.00 0.00 C ATOM 663 O LEU A 57 -4.715 -3.981 -2.451 1.00 0.00 O ATOM 664 CB LEU A 57 -7.409 -2.836 -1.192 1.00 0.00 C ATOM 665 CG LEU A 57 -8.123 -3.991 -0.475 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.173 -5.125 -0.090 1.00 0.00 C ATOM 667 CD2 LEU A 57 -8.808 -3.453 0.753 1.00 0.00 C ATOM 0 H LEU A 57 -8.826 -3.361 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.341 -2.062 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.562 -2.549 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.098 -1.992 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.851 -4.415 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.733 -5.913 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.705 -5.529 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.403 -4.743 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.319 -4.265 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.067 -3.009 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.535 -2.695 0.461 1.00 0.00 H new ATOM 679 N THR A 58 -6.353 -5.245 -3.305 1.00 0.00 N ATOM 680 CA THR A 58 -5.505 -6.360 -3.601 1.00 0.00 C ATOM 681 C THR A 58 -4.478 -5.938 -4.680 1.00 0.00 C ATOM 682 O THR A 58 -3.303 -6.314 -4.634 1.00 0.00 O ATOM 683 CB THR A 58 -6.349 -7.574 -4.061 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.329 -7.870 -3.042 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.476 -8.806 -4.275 1.00 0.00 C ATOM 0 H THR A 58 -7.339 -5.400 -3.517 1.00 0.00 H new ATOM 0 HA THR A 58 -4.965 -6.664 -2.704 1.00 0.00 H new ATOM 0 HB THR A 58 -6.830 -7.323 -5.006 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.046 -7.203 -3.075 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.098 -9.641 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.728 -8.594 -5.039 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.977 -9.065 -3.341 1.00 0.00 H new ATOM 693 N VAL A 59 -4.929 -5.098 -5.605 1.00 0.00 N ATOM 694 CA VAL A 59 -4.060 -4.519 -6.615 1.00 0.00 C ATOM 695 C VAL A 59 -3.106 -3.506 -5.945 1.00 0.00 C ATOM 696 O VAL A 59 -1.928 -3.430 -6.289 1.00 0.00 O ATOM 697 CB VAL A 59 -4.863 -3.839 -7.764 1.00 0.00 C ATOM 698 CG1 VAL A 59 -3.930 -3.282 -8.833 1.00 0.00 C ATOM 699 CG2 VAL A 59 -5.841 -4.822 -8.387 1.00 0.00 C ATOM 0 H VAL A 59 -5.903 -4.802 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.484 -5.325 -7.070 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.423 -3.009 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.519 -2.814 -9.622 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.267 -2.541 -8.387 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.336 -4.092 -9.256 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.393 -4.329 -9.187 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.293 -5.672 -8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.540 -5.171 -7.627 1.00 0.00 H new ATOM 709 N SER A 60 -3.619 -2.752 -4.970 1.00 0.00 N ATOM 710 CA SER A 60 -2.803 -1.810 -4.202 1.00 0.00 C ATOM 711 C SER A 60 -1.672 -2.549 -3.482 1.00 0.00 C ATOM 712 O SER A 60 -0.510 -2.118 -3.484 1.00 0.00 O ATOM 713 CB SER A 60 -3.672 -1.027 -3.219 1.00 0.00 C ATOM 714 OG SER A 60 -4.778 -0.438 -3.890 1.00 0.00 O ATOM 0 H SER A 60 -4.600 -2.776 -4.693 1.00 0.00 H new ATOM 0 HA SER A 60 -2.351 -1.094 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.029 -1.691 -2.432 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.077 -0.251 -2.737 1.00 0.00 H new ATOM 0 HG SER A 60 -4.534 0.460 -4.197 1.00 0.00 H new ATOM 720 N GLU A 61 -2.030 -3.673 -2.929 1.00 0.00 N ATOM 721 CA GLU A 61 -1.109 -4.601 -2.297 1.00 0.00 C ATOM 722 C GLU A 61 -0.071 -5.052 -3.326 1.00 0.00 C ATOM 723 O GLU A 61 1.105 -5.090 -3.043 1.00 0.00 O ATOM 724 CB GLU A 61 -1.919 -5.806 -1.783 1.00 0.00 C ATOM 725 CG GLU A 61 -1.126 -7.035 -1.350 1.00 0.00 C ATOM 726 CD GLU A 61 -0.325 -6.875 -0.076 1.00 0.00 C ATOM 727 OE1 GLU A 61 -0.884 -7.134 1.001 1.00 0.00 O ATOM 728 OE2 GLU A 61 0.884 -6.584 -0.134 1.00 0.00 O ATOM 0 H GLU A 61 -3.000 -3.987 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.590 -4.129 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.520 -5.475 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.612 -6.109 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.819 -7.867 -1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.445 -7.309 -2.155 1.00 0.00 H new ATOM 735 N ALA A 62 -0.531 -5.286 -4.553 1.00 0.00 N ATOM 736 CA ALA A 62 0.320 -5.795 -5.620 1.00 0.00 C ATOM 737 C ALA A 62 1.453 -4.839 -5.956 1.00 0.00 C ATOM 738 O ALA A 62 2.598 -5.267 -6.132 1.00 0.00 O ATOM 739 CB ALA A 62 -0.484 -6.164 -6.861 1.00 0.00 C ATOM 0 H ALA A 62 -1.499 -5.128 -4.832 1.00 0.00 H new ATOM 0 HA ALA A 62 0.776 -6.711 -5.243 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.189 -6.539 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.211 -6.935 -6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.006 -5.282 -7.232 1.00 0.00 H new ATOM 745 N PHE A 63 1.173 -3.551 -6.037 1.00 0.00 N ATOM 746 CA PHE A 63 2.259 -2.623 -6.292 1.00 0.00 C ATOM 747 C PHE A 63 3.141 -2.386 -5.076 1.00 0.00 C ATOM 748 O PHE A 63 4.347 -2.157 -5.223 1.00 0.00 O ATOM 749 CB PHE A 63 1.897 -1.359 -7.102 1.00 0.00 C ATOM 750 CG PHE A 63 0.616 -0.708 -6.744 1.00 0.00 C ATOM 751 CD1 PHE A 63 0.510 0.074 -5.625 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.497 -0.890 -7.542 1.00 0.00 C ATOM 753 CE1 PHE A 63 -0.685 0.668 -5.301 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.689 -0.308 -7.222 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.781 0.470 -6.102 1.00 0.00 C ATOM 0 H PHE A 63 0.246 -3.137 -5.935 1.00 0.00 H new ATOM 0 HA PHE A 63 2.894 -3.151 -7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.699 -0.631 -6.981 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.865 -1.625 -8.159 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.372 0.225 -4.993 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.423 -1.500 -8.430 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.762 1.288 -4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.554 -0.461 -7.850 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.723 0.932 -5.846 1.00 0.00 H new ATOM 765 N ILE A 64 2.563 -2.451 -3.870 1.00 0.00 N ATOM 766 CA ILE A 64 3.381 -2.412 -2.655 1.00 0.00 C ATOM 767 C ILE A 64 4.334 -3.610 -2.620 1.00 0.00 C ATOM 768 O ILE A 64 5.510 -3.433 -2.334 1.00 0.00 O ATOM 769 CB ILE A 64 2.554 -2.245 -1.322 1.00 0.00 C ATOM 770 CG1 ILE A 64 2.250 -0.762 -1.052 1.00 0.00 C ATOM 771 CG2 ILE A 64 3.260 -2.851 -0.113 1.00 0.00 C ATOM 772 CD1 ILE A 64 3.491 0.096 -0.723 1.00 0.00 C ATOM 0 H ILE A 64 1.558 -2.529 -3.712 1.00 0.00 H new ATOM 0 HA ILE A 64 3.977 -1.501 -2.705 1.00 0.00 H new ATOM 0 HB ILE A 64 1.621 -2.790 -1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.754 -0.341 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.546 -0.694 -0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.646 -2.707 0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.415 -3.917 -0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.224 -2.362 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.184 1.127 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.978 -0.295 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.189 0.063 -1.560 1.00 0.00 H new ATOM 784 N GLU A 65 3.837 -4.797 -2.989 1.00 0.00 N ATOM 785 CA GLU A 65 4.685 -6.010 -3.115 1.00 0.00 C ATOM 786 C GLU A 65 5.842 -5.752 -4.059 1.00 0.00 C ATOM 787 O GLU A 65 6.985 -6.062 -3.749 1.00 0.00 O ATOM 788 CB GLU A 65 3.915 -7.179 -3.730 1.00 0.00 C ATOM 789 CG GLU A 65 2.788 -7.774 -2.934 1.00 0.00 C ATOM 790 CD GLU A 65 2.116 -8.878 -3.720 1.00 0.00 C ATOM 791 OE1 GLU A 65 2.831 -9.759 -4.262 1.00 0.00 O ATOM 792 OE2 GLU A 65 0.872 -8.880 -3.856 1.00 0.00 O ATOM 0 H GLU A 65 2.853 -4.953 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 65 5.019 -6.249 -2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.510 -6.847 -4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.629 -7.974 -3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.168 -8.169 -1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.061 -7.001 -2.686 1.00 0.00 H new ATOM 799 N GLY A 66 5.538 -5.146 -5.192 1.00 0.00 N ATOM 800 CA GLY A 66 6.551 -4.865 -6.180 1.00 0.00 C ATOM 801 C GLY A 66 7.571 -3.886 -5.665 1.00 0.00 C ATOM 802 O GLY A 66 8.777 -4.045 -5.880 1.00 0.00 O ATOM 0 H GLY A 66 4.598 -4.841 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.048 -5.792 -6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.082 -4.464 -7.079 1.00 0.00 H new ATOM 806 N SER A 67 7.098 -2.915 -4.937 1.00 0.00 N ATOM 807 CA SER A 67 7.938 -1.895 -4.419 1.00 0.00 C ATOM 808 C SER A 67 8.797 -2.454 -3.298 1.00 0.00 C ATOM 809 O SER A 67 9.988 -2.178 -3.227 1.00 0.00 O ATOM 810 CB SER A 67 7.089 -0.710 -3.961 1.00 0.00 C ATOM 811 OG SER A 67 6.240 -0.263 -5.030 1.00 0.00 O ATOM 0 H SER A 67 6.113 -2.816 -4.690 1.00 0.00 H new ATOM 0 HA SER A 67 8.611 -1.535 -5.197 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.483 -0.998 -3.102 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.735 0.105 -3.636 1.00 0.00 H new ATOM 0 HG SER A 67 5.412 -0.787 -5.031 1.00 0.00 H new ATOM 817 N ARG A 68 8.209 -3.300 -2.468 1.00 0.00 N ATOM 818 CA ARG A 68 8.942 -3.887 -1.369 1.00 0.00 C ATOM 819 C ARG A 68 9.952 -4.848 -1.871 1.00 0.00 C ATOM 820 O ARG A 68 11.109 -4.820 -1.448 1.00 0.00 O ATOM 821 CB ARG A 68 8.052 -4.518 -0.299 1.00 0.00 C ATOM 822 CG ARG A 68 7.127 -3.548 0.407 1.00 0.00 C ATOM 823 CD ARG A 68 6.270 -4.253 1.451 1.00 0.00 C ATOM 824 NE ARG A 68 7.064 -4.826 2.551 1.00 0.00 N ATOM 825 CZ ARG A 68 6.593 -5.071 3.783 1.00 0.00 C ATOM 826 NH1 ARG A 68 5.303 -4.897 4.053 1.00 0.00 N ATOM 827 NH2 ARG A 68 7.403 -5.533 4.731 1.00 0.00 N ATOM 0 H ARG A 68 7.234 -3.591 -2.537 1.00 0.00 H new ATOM 0 HA ARG A 68 9.454 -3.065 -0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.451 -5.301 -0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.687 -5.000 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.716 -2.766 0.886 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.483 -3.060 -0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.549 -3.545 1.860 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.699 -5.047 0.969 1.00 0.00 H new ATOM 0 HE ARG A 68 8.041 -5.052 2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.668 -4.576 3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.948 -5.084 4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.387 -5.703 4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.040 -5.718 5.666 1.00 0.00 H new ATOM 841 N GLY A 69 9.537 -5.654 -2.812 1.00 0.00 N ATOM 842 CA GLY A 69 10.409 -6.586 -3.419 1.00 0.00 C ATOM 843 C GLY A 69 11.549 -5.898 -4.111 1.00 0.00 C ATOM 844 O GLY A 69 12.657 -6.427 -4.137 1.00 0.00 O ATOM 0 H GLY A 69 8.582 -5.672 -3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.798 -7.268 -2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.856 -7.190 -4.138 1.00 0.00 H new ATOM 848 N TYR A 70 11.304 -4.664 -4.572 1.00 0.00 N ATOM 849 CA TYR A 70 12.315 -3.894 -5.285 1.00 0.00 C ATOM 850 C TYR A 70 13.401 -3.543 -4.323 1.00 0.00 C ATOM 851 O TYR A 70 14.568 -3.837 -4.547 1.00 0.00 O ATOM 852 CB TYR A 70 11.704 -2.617 -5.899 1.00 0.00 C ATOM 853 CG TYR A 70 12.718 -1.611 -6.430 1.00 0.00 C ATOM 854 CD1 TYR A 70 13.316 -1.773 -7.669 1.00 0.00 C ATOM 855 CD2 TYR A 70 13.068 -0.485 -5.678 1.00 0.00 C ATOM 856 CE1 TYR A 70 14.228 -0.849 -8.144 1.00 0.00 C ATOM 857 CE2 TYR A 70 13.975 0.433 -6.147 1.00 0.00 C ATOM 858 CZ TYR A 70 14.552 0.251 -7.377 1.00 0.00 C ATOM 859 OH TYR A 70 15.459 1.179 -7.845 1.00 0.00 O ATOM 0 H TYR A 70 10.411 -4.183 -4.460 1.00 0.00 H new ATOM 0 HA TYR A 70 12.718 -4.489 -6.104 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.039 -2.905 -6.713 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.089 -2.127 -5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 70 13.066 -2.633 -8.272 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.616 -0.334 -4.709 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.685 -0.988 -9.112 1.00 0.00 H new ATOM 0 HE2 TYR A 70 14.233 1.295 -5.549 1.00 0.00 H new ATOM 0 HH TYR A 70 15.571 1.891 -7.181 1.00 0.00 H new ATOM 869 N PHE A 71 12.987 -2.976 -3.215 1.00 0.00 N ATOM 870 CA PHE A 71 13.885 -2.574 -2.174 1.00 0.00 C ATOM 871 C PHE A 71 14.647 -3.759 -1.604 1.00 0.00 C ATOM 872 O PHE A 71 15.823 -3.652 -1.306 1.00 0.00 O ATOM 873 CB PHE A 71 13.183 -1.740 -1.106 1.00 0.00 C ATOM 874 CG PHE A 71 12.692 -0.415 -1.636 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.582 0.502 -2.166 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.354 -0.094 -1.610 1.00 0.00 C ATOM 877 CE1 PHE A 71 13.144 1.714 -2.662 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.910 1.114 -2.105 1.00 0.00 C ATOM 879 CZ PHE A 71 11.805 2.020 -2.633 1.00 0.00 C ATOM 0 H PHE A 71 12.006 -2.781 -3.015 1.00 0.00 H new ATOM 0 HA PHE A 71 14.633 -1.918 -2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.339 -2.303 -0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.869 -1.564 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.636 0.266 -2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.644 -0.796 -1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.852 2.419 -3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.857 1.351 -2.079 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.455 2.965 -3.022 1.00 0.00 H new ATOM 889 N GLN A 72 13.971 -4.887 -1.463 1.00 0.00 N ATOM 890 CA GLN A 72 14.614 -6.115 -1.007 1.00 0.00 C ATOM 891 C GLN A 72 15.729 -6.575 -1.969 1.00 0.00 C ATOM 892 O GLN A 72 16.738 -7.125 -1.531 1.00 0.00 O ATOM 893 CB GLN A 72 13.600 -7.220 -0.741 1.00 0.00 C ATOM 894 CG GLN A 72 12.654 -6.898 0.408 1.00 0.00 C ATOM 895 CD GLN A 72 11.659 -8.001 0.708 1.00 0.00 C ATOM 896 OE1 GLN A 72 11.234 -8.168 1.852 1.00 0.00 O ATOM 897 NE2 GLN A 72 11.263 -8.739 -0.288 1.00 0.00 N ATOM 0 H GLN A 72 12.974 -4.981 -1.658 1.00 0.00 H new ATOM 0 HA GLN A 72 15.094 -5.887 -0.055 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.017 -7.396 -1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.130 -8.146 -0.519 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.241 -6.697 1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 72 12.109 -5.984 0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.634 -8.575 -1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 72 10.581 -9.482 -0.133 1.00 0.00 H new ATOM 906 N ARG A 73 15.549 -6.357 -3.273 1.00 0.00 N ATOM 907 CA ARG A 73 16.631 -6.646 -4.235 1.00 0.00 C ATOM 908 C ARG A 73 17.756 -5.658 -4.038 1.00 0.00 C ATOM 909 O ARG A 73 18.935 -6.002 -4.120 1.00 0.00 O ATOM 910 CB ARG A 73 16.165 -6.585 -5.693 1.00 0.00 C ATOM 911 CG ARG A 73 15.287 -7.734 -6.141 1.00 0.00 C ATOM 912 CD ARG A 73 13.964 -7.231 -6.672 1.00 0.00 C ATOM 913 NE ARG A 73 14.114 -6.250 -7.762 1.00 0.00 N ATOM 914 CZ ARG A 73 13.140 -5.849 -8.597 1.00 0.00 C ATOM 915 NH1 ARG A 73 11.938 -6.407 -8.558 1.00 0.00 N ATOM 916 NH2 ARG A 73 13.384 -4.884 -9.470 1.00 0.00 N ATOM 0 H ARG A 73 14.691 -5.991 -3.686 1.00 0.00 H new ATOM 0 HA ARG A 73 16.966 -7.665 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 73 15.620 -5.653 -5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 73 17.044 -6.549 -6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 73 15.799 -8.307 -6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 73 15.113 -8.411 -5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.378 -8.077 -7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.401 -6.776 -5.857 1.00 0.00 H new ATOM 0 HE ARG A 73 15.038 -5.839 -7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.743 -7.151 -7.888 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.209 -6.092 -9.198 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.306 -4.450 -9.506 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.650 -4.575 -10.107 1.00 0.00 H new ATOM 930 N GLU A 74 17.390 -4.436 -3.737 1.00 0.00 N ATOM 931 CA GLU A 74 18.356 -3.387 -3.515 1.00 0.00 C ATOM 932 C GLU A 74 19.187 -3.671 -2.278 1.00 0.00 C ATOM 933 O GLU A 74 20.375 -3.340 -2.220 1.00 0.00 O ATOM 934 CB GLU A 74 17.692 -2.015 -3.442 1.00 0.00 C ATOM 935 CG GLU A 74 16.845 -1.673 -4.657 1.00 0.00 C ATOM 936 CD GLU A 74 17.608 -1.818 -5.944 1.00 0.00 C ATOM 937 OE1 GLU A 74 18.320 -0.880 -6.326 1.00 0.00 O ATOM 938 OE2 GLU A 74 17.536 -2.883 -6.577 1.00 0.00 O ATOM 0 H GLU A 74 16.419 -4.141 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 74 19.029 -3.369 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.065 -1.973 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.464 -1.255 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.970 -2.322 -4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.481 -0.650 -4.567 1.00 0.00 H new ATOM 945 N LEU A 75 18.578 -4.352 -1.337 1.00 0.00 N ATOM 946 CA LEU A 75 19.226 -4.742 -0.093 1.00 0.00 C ATOM 947 C LEU A 75 20.300 -5.812 -0.310 1.00 0.00 C ATOM 948 O LEU A 75 21.142 -6.050 0.577 1.00 0.00 O ATOM 949 CB LEU A 75 18.194 -5.213 0.950 1.00 0.00 C ATOM 950 CG LEU A 75 17.271 -4.129 1.530 1.00 0.00 C ATOM 951 CD1 LEU A 75 16.211 -4.747 2.425 1.00 0.00 C ATOM 952 CD2 LEU A 75 18.075 -3.122 2.332 1.00 0.00 C ATOM 0 H LEU A 75 17.607 -4.658 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 75 19.725 -3.853 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 75 17.573 -5.983 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 75 18.730 -5.683 1.774 1.00 0.00 H new ATOM 0 HG LEU A 75 16.784 -3.624 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.569 -3.962 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.610 -5.448 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.693 -5.276 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.407 -2.361 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 75 18.582 -3.631 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 75 18.814 -2.649 1.686 1.00 0.00 H new ATOM 964 N LYS A 76 20.290 -6.455 -1.471 1.00 0.00 N ATOM 965 CA LYS A 76 21.230 -7.535 -1.720 1.00 0.00 C ATOM 966 C LYS A 76 22.316 -7.157 -2.740 1.00 0.00 C ATOM 967 O LYS A 76 23.245 -7.930 -2.966 1.00 0.00 O ATOM 968 CB LYS A 76 20.510 -8.844 -2.102 1.00 0.00 C ATOM 969 CG LYS A 76 19.821 -8.827 -3.453 1.00 0.00 C ATOM 970 CD LYS A 76 18.970 -10.068 -3.687 1.00 0.00 C ATOM 971 CE LYS A 76 19.778 -11.361 -3.598 1.00 0.00 C ATOM 972 NZ LYS A 76 18.966 -12.543 -3.949 1.00 0.00 N ATOM 0 H LYS A 76 19.653 -6.251 -2.241 1.00 0.00 H new ATOM 0 HA LYS A 76 21.748 -7.713 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 76 21.236 -9.657 -2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 76 19.768 -9.070 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 76 19.192 -7.940 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.572 -8.751 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.165 -10.096 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.502 -10.003 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.637 -11.299 -4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.169 -11.476 -2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.551 -13.400 -3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.160 -12.617 -3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.614 -12.446 -4.923 1.00 0.00 H new ATOM 986 N ARG A 77 22.203 -5.959 -3.348 1.00 0.00 N ATOM 987 CA ARG A 77 23.141 -5.532 -4.434 1.00 0.00 C ATOM 988 C ARG A 77 24.600 -5.429 -3.962 1.00 0.00 C ATOM 989 O ARG A 77 25.505 -5.332 -4.793 1.00 0.00 O ATOM 990 CB ARG A 77 22.805 -4.144 -5.003 1.00 0.00 C ATOM 991 CG ARG A 77 21.357 -3.862 -5.279 1.00 0.00 C ATOM 992 CD ARG A 77 21.181 -2.516 -5.998 1.00 0.00 C ATOM 993 NE ARG A 77 22.057 -1.447 -5.462 1.00 0.00 N ATOM 994 CZ ARG A 77 21.653 -0.251 -4.998 1.00 0.00 C ATOM 995 NH1 ARG A 77 20.375 0.094 -5.021 1.00 0.00 N ATOM 996 NH2 ARG A 77 22.551 0.630 -4.616 1.00 0.00 N ATOM 0 H ARG A 77 21.486 -5.271 -3.118 1.00 0.00 H new ATOM 0 HA ARG A 77 23.022 -6.311 -5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 77 23.171 -3.392 -4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 77 23.360 -4.013 -5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 77 20.938 -4.661 -5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 77 20.800 -3.852 -4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 77 21.389 -2.649 -7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 77 20.141 -2.200 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 77 23.059 -1.636 -5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.679 -0.551 -5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.086 1.005 -4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 77 23.544 0.404 -4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 77 22.255 1.540 -4.263 1.00 0.00 H new ATOM 1010 N THR A 78 24.812 -5.337 -2.633 1.00 0.00 N ATOM 1011 CA THR A 78 26.147 -5.132 -2.005 1.00 0.00 C ATOM 1012 C THR A 78 26.651 -3.665 -2.212 1.00 0.00 C ATOM 1013 O THR A 78 27.298 -3.081 -1.346 1.00 0.00 O ATOM 1014 CB THR A 78 27.175 -6.172 -2.526 1.00 0.00 C ATOM 1015 OG1 THR A 78 26.609 -7.500 -2.367 1.00 0.00 O ATOM 1016 CG2 THR A 78 28.487 -6.091 -1.754 1.00 0.00 C ATOM 0 H THR A 78 24.056 -5.403 -1.952 1.00 0.00 H new ATOM 0 HA THR A 78 26.041 -5.289 -0.932 1.00 0.00 H new ATOM 0 HB THR A 78 27.386 -5.961 -3.574 1.00 0.00 H new ATOM 0 HG1 THR A 78 27.247 -8.169 -2.694 1.00 0.00 H new ATOM 0 HG21 THR A 78 29.185 -6.832 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.915 -5.095 -1.867 1.00 0.00 H new ATOM 0 HG23 THR A 78 28.301 -6.288 -0.698 1.00 0.00 H new ATOM 1024 N ASP A 79 26.282 -3.108 -3.349 1.00 0.00 N ATOM 1025 CA ASP A 79 26.572 -1.742 -3.790 1.00 0.00 C ATOM 1026 C ASP A 79 26.110 -0.675 -2.780 1.00 0.00 C ATOM 1027 O ASP A 79 26.755 0.359 -2.613 1.00 0.00 O ATOM 1028 CB ASP A 79 25.862 -1.540 -5.129 1.00 0.00 C ATOM 1029 CG ASP A 79 25.996 -0.161 -5.685 1.00 0.00 C ATOM 1030 OD1 ASP A 79 26.994 0.120 -6.364 1.00 0.00 O ATOM 1031 OD2 ASP A 79 25.080 0.643 -5.485 1.00 0.00 O ATOM 0 H ASP A 79 25.736 -3.624 -4.039 1.00 0.00 H new ATOM 0 HA ASP A 79 27.651 -1.621 -3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 79 26.261 -2.252 -5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 79 24.804 -1.770 -5.006 1.00 0.00 H new ATOM 1036 N LEU A 80 25.011 -0.951 -2.115 1.00 0.00 N ATOM 1037 CA LEU A 80 24.419 -0.078 -1.146 1.00 0.00 C ATOM 1038 C LEU A 80 25.244 -0.050 0.092 1.00 0.00 C ATOM 1039 O LEU A 80 26.024 -0.960 0.397 1.00 0.00 O ATOM 1040 CB LEU A 80 22.987 -0.553 -0.764 1.00 0.00 C ATOM 1041 CG LEU A 80 22.861 -1.809 0.143 1.00 0.00 C ATOM 1042 CD1 LEU A 80 21.443 -1.968 0.627 1.00 0.00 C ATOM 1043 CD2 LEU A 80 23.284 -3.079 -0.575 1.00 0.00 C ATOM 0 H LEU A 80 24.493 -1.820 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 80 24.366 0.916 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.481 0.274 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.441 -0.750 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 80 23.531 -1.655 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.372 -2.852 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.153 -1.087 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.777 -2.080 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 80 23.179 -3.930 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.653 -3.229 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 80 24.324 -2.991 -0.888 1.00 0.00 H new ATOM 1055 N ASP A 81 25.066 0.978 0.761 1.00 0.00 N ATOM 1056 CA ASP A 81 25.639 1.211 2.043 1.00 0.00 C ATOM 1057 C ASP A 81 24.461 1.549 2.932 1.00 0.00 C ATOM 1058 O ASP A 81 23.305 1.487 2.451 1.00 0.00 O ATOM 1059 CB ASP A 81 26.663 2.370 1.975 1.00 0.00 C ATOM 1060 CG ASP A 81 27.526 2.511 3.223 1.00 0.00 C ATOM 1061 OD1 ASP A 81 27.097 3.139 4.186 1.00 0.00 O ATOM 1062 OD2 ASP A 81 28.654 1.985 3.246 1.00 0.00 O ATOM 0 H ASP A 81 24.484 1.750 0.436 1.00 0.00 H new ATOM 0 HA ASP A 81 26.191 0.351 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 81 27.312 2.217 1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 81 26.127 3.305 1.809 1.00 0.00 H new ATOM 1067 N LEU A 82 24.703 1.938 4.162 1.00 0.00 N ATOM 1068 CA LEU A 82 23.649 2.258 5.102 1.00 0.00 C ATOM 1069 C LEU A 82 22.743 3.357 4.596 1.00 0.00 C ATOM 1070 O LEU A 82 21.583 3.395 4.935 1.00 0.00 O ATOM 1071 CB LEU A 82 24.158 2.487 6.554 1.00 0.00 C ATOM 1072 CG LEU A 82 25.301 3.494 6.802 1.00 0.00 C ATOM 1073 CD1 LEU A 82 24.852 4.936 6.636 1.00 0.00 C ATOM 1074 CD2 LEU A 82 25.886 3.278 8.182 1.00 0.00 C ATOM 0 H LEU A 82 25.643 2.043 4.543 1.00 0.00 H new ATOM 0 HA LEU A 82 23.027 1.366 5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 82 23.305 2.805 7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 82 24.481 1.522 6.944 1.00 0.00 H new ATOM 0 HG LEU A 82 26.066 3.313 6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 82 25.694 5.603 6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.485 5.088 5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 82 24.054 5.153 7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 82 26.692 3.992 8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 82 25.110 3.423 8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 82 26.278 2.264 8.256 1.00 0.00 H new ATOM 1086 N LEU A 83 23.297 4.243 3.775 1.00 0.00 N ATOM 1087 CA LEU A 83 22.552 5.378 3.222 1.00 0.00 C ATOM 1088 C LEU A 83 21.387 4.922 2.388 1.00 0.00 C ATOM 1089 O LEU A 83 20.247 5.323 2.617 1.00 0.00 O ATOM 1090 CB LEU A 83 23.456 6.189 2.272 1.00 0.00 C ATOM 1091 CG LEU A 83 24.669 6.939 2.853 1.00 0.00 C ATOM 1092 CD1 LEU A 83 24.291 7.782 4.061 1.00 0.00 C ATOM 1093 CD2 LEU A 83 25.833 6.015 3.150 1.00 0.00 C ATOM 0 H LEU A 83 24.270 4.199 3.473 1.00 0.00 H new ATOM 0 HA LEU A 83 22.210 5.969 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 83 23.827 5.506 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 83 22.828 6.922 1.766 1.00 0.00 H new ATOM 0 HG LEU A 83 25.008 7.625 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 83 25.176 8.294 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 83 23.542 8.519 3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 83 23.883 7.138 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.662 6.594 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 83 25.524 5.263 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 83 26.151 5.523 2.231 1.00 0.00 H new ATOM 1105 N GLU A 84 21.667 4.036 1.482 1.00 0.00 N ATOM 1106 CA GLU A 84 20.663 3.545 0.598 1.00 0.00 C ATOM 1107 C GLU A 84 19.736 2.643 1.340 1.00 0.00 C ATOM 1108 O GLU A 84 18.530 2.721 1.198 1.00 0.00 O ATOM 1109 CB GLU A 84 21.295 2.879 -0.587 1.00 0.00 C ATOM 1110 CG GLU A 84 22.095 3.836 -1.437 1.00 0.00 C ATOM 1111 CD GLU A 84 22.782 3.142 -2.550 1.00 0.00 C ATOM 1112 OE1 GLU A 84 23.879 2.629 -2.330 1.00 0.00 O ATOM 1113 OE2 GLU A 84 22.227 3.066 -3.661 1.00 0.00 O ATOM 0 H GLU A 84 22.594 3.636 1.337 1.00 0.00 H new ATOM 0 HA GLU A 84 20.069 4.374 0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 84 21.946 2.075 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.518 2.420 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 84 21.434 4.603 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 84 22.832 4.345 -0.816 1.00 0.00 H new ATOM 1120 N LYS A 85 20.320 1.831 2.183 1.00 0.00 N ATOM 1121 CA LYS A 85 19.613 0.907 3.021 1.00 0.00 C ATOM 1122 C LYS A 85 18.627 1.660 3.909 1.00 0.00 C ATOM 1123 O LYS A 85 17.515 1.195 4.130 1.00 0.00 O ATOM 1124 CB LYS A 85 20.628 0.023 3.801 1.00 0.00 C ATOM 1125 CG LYS A 85 20.042 -1.070 4.699 1.00 0.00 C ATOM 1126 CD LYS A 85 19.649 -0.524 6.050 1.00 0.00 C ATOM 1127 CE LYS A 85 19.018 -1.573 6.935 1.00 0.00 C ATOM 1128 NZ LYS A 85 18.749 -1.047 8.284 1.00 0.00 N ATOM 0 H LYS A 85 21.332 1.796 2.306 1.00 0.00 H new ATOM 0 HA LYS A 85 19.013 0.222 2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.292 -0.451 3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.244 0.677 4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.170 -1.511 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.773 -1.868 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.531 -0.118 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.950 0.302 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.087 -1.919 6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.678 -2.437 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.846 -1.429 8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.516 -1.331 8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 18.695 -0.009 8.247 1.00 0.00 H new ATOM 1142 N PHE A 86 19.025 2.853 4.360 1.00 0.00 N ATOM 1143 CA PHE A 86 18.186 3.668 5.212 1.00 0.00 C ATOM 1144 C PHE A 86 16.918 4.113 4.464 1.00 0.00 C ATOM 1145 O PHE A 86 15.853 4.226 5.023 1.00 0.00 O ATOM 1146 CB PHE A 86 18.955 4.882 5.768 1.00 0.00 C ATOM 1147 CG PHE A 86 18.153 5.759 6.693 1.00 0.00 C ATOM 1148 CD1 PHE A 86 17.887 5.355 7.989 1.00 0.00 C ATOM 1149 CD2 PHE A 86 17.669 6.986 6.263 1.00 0.00 C ATOM 1150 CE1 PHE A 86 17.151 6.154 8.842 1.00 0.00 C ATOM 1151 CE2 PHE A 86 16.933 7.789 7.111 1.00 0.00 C ATOM 1152 CZ PHE A 86 16.674 7.373 8.402 1.00 0.00 C ATOM 0 H PHE A 86 19.930 3.269 4.142 1.00 0.00 H new ATOM 0 HA PHE A 86 17.883 3.056 6.062 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.837 4.525 6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 86 19.310 5.485 4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 86 18.259 4.403 8.338 1.00 0.00 H new ATOM 0 HD2 PHE A 86 17.870 7.316 5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.949 5.826 9.851 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.560 8.742 6.765 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.099 8.000 9.067 1.00 0.00 H new ATOM 1162 N ASN A 87 17.075 4.311 3.201 1.00 0.00 N ATOM 1163 CA ASN A 87 16.044 4.758 2.301 1.00 0.00 C ATOM 1164 C ASN A 87 15.089 3.610 2.035 1.00 0.00 C ATOM 1165 O ASN A 87 13.872 3.789 1.978 1.00 0.00 O ATOM 1166 CB ASN A 87 16.707 5.232 0.993 1.00 0.00 C ATOM 1167 CG ASN A 87 15.741 5.645 -0.092 1.00 0.00 C ATOM 1168 OD1 ASN A 87 14.647 6.152 0.171 1.00 0.00 O ATOM 1169 ND2 ASN A 87 16.138 5.443 -1.320 1.00 0.00 N ATOM 0 H ASN A 87 17.969 4.160 2.734 1.00 0.00 H new ATOM 0 HA ASN A 87 15.482 5.585 2.735 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.361 6.075 1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 87 17.340 4.431 0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.537 5.707 -2.100 1.00 0.00 H new ATOM 0 HD22 ASN A 87 17.049 5.021 -1.498 1.00 0.00 H new ATOM 1176 N PHE A 88 15.654 2.415 1.927 1.00 0.00 N ATOM 1177 CA PHE A 88 14.885 1.218 1.651 1.00 0.00 C ATOM 1178 C PHE A 88 14.111 0.844 2.857 1.00 0.00 C ATOM 1179 O PHE A 88 12.940 0.575 2.757 1.00 0.00 O ATOM 1180 CB PHE A 88 15.764 0.039 1.227 1.00 0.00 C ATOM 1181 CG PHE A 88 16.735 0.359 0.145 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.451 1.319 -0.815 1.00 0.00 C ATOM 1183 CD2 PHE A 88 17.961 -0.247 0.129 1.00 0.00 C ATOM 1184 CE1 PHE A 88 17.370 1.644 -1.762 1.00 0.00 C ATOM 1185 CE2 PHE A 88 18.887 0.086 -0.809 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.589 1.030 -1.749 1.00 0.00 C ATOM 0 H PHE A 88 16.656 2.253 2.029 1.00 0.00 H new ATOM 0 HA PHE A 88 14.219 1.443 0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.313 -0.322 2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.122 -0.777 0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.491 1.813 -0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.196 -0.998 0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 88 17.138 2.381 -2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.854 -0.394 -0.810 1.00 0.00 H new ATOM 0 HZ PHE A 88 19.327 1.294 -2.492 1.00 0.00 H new ATOM 1196 N GLU A 89 14.759 0.885 4.022 1.00 0.00 N ATOM 1197 CA GLU A 89 14.084 0.576 5.256 1.00 0.00 C ATOM 1198 C GLU A 89 13.048 1.639 5.492 1.00 0.00 C ATOM 1199 O GLU A 89 11.971 1.362 6.026 1.00 0.00 O ATOM 1200 CB GLU A 89 15.045 0.458 6.464 1.00 0.00 C ATOM 1201 CG GLU A 89 15.701 1.759 6.887 1.00 0.00 C ATOM 1202 CD GLU A 89 16.641 1.611 8.046 1.00 0.00 C ATOM 1203 OE1 GLU A 89 16.200 1.696 9.202 1.00 0.00 O ATOM 1204 OE2 GLU A 89 17.847 1.398 7.827 1.00 0.00 O ATOM 0 H GLU A 89 15.744 1.129 4.124 1.00 0.00 H new ATOM 0 HA GLU A 89 13.619 -0.406 5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.492 0.054 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.825 -0.263 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.246 2.173 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.925 2.478 7.149 1.00 0.00 H new ATOM 1211 N ALA A 90 13.351 2.875 5.041 1.00 0.00 N ATOM 1212 CA ALA A 90 12.389 3.950 5.238 1.00 0.00 C ATOM 1213 C ALA A 90 11.139 3.694 4.406 1.00 0.00 C ATOM 1214 O ALA A 90 10.007 3.794 4.891 1.00 0.00 O ATOM 1215 CB ALA A 90 12.982 5.311 4.909 1.00 0.00 C ATOM 0 H ALA A 90 14.214 3.134 4.562 1.00 0.00 H new ATOM 0 HA ALA A 90 12.118 3.963 6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.230 6.084 5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.840 5.500 5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.301 5.327 3.867 1.00 0.00 H new ATOM 1221 N ALA A 91 11.354 3.301 3.179 1.00 0.00 N ATOM 1222 CA ALA A 91 10.280 3.027 2.257 1.00 0.00 C ATOM 1223 C ALA A 91 9.518 1.764 2.646 1.00 0.00 C ATOM 1224 O ALA A 91 8.290 1.748 2.614 1.00 0.00 O ATOM 1225 CB ALA A 91 10.821 2.940 0.852 1.00 0.00 C ATOM 0 H ALA A 91 12.285 3.160 2.787 1.00 0.00 H new ATOM 0 HA ALA A 91 9.566 3.849 2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.005 2.733 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.292 3.886 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.558 2.139 0.795 1.00 0.00 H new ATOM 1231 N LEU A 92 10.245 0.733 3.055 1.00 0.00 N ATOM 1232 CA LEU A 92 9.642 -0.529 3.489 1.00 0.00 C ATOM 1233 C LEU A 92 8.726 -0.297 4.660 1.00 0.00 C ATOM 1234 O LEU A 92 7.631 -0.835 4.708 1.00 0.00 O ATOM 1235 CB LEU A 92 10.702 -1.584 3.857 1.00 0.00 C ATOM 1236 CG LEU A 92 11.576 -2.116 2.715 1.00 0.00 C ATOM 1237 CD1 LEU A 92 12.591 -3.118 3.241 1.00 0.00 C ATOM 1238 CD2 LEU A 92 10.718 -2.749 1.635 1.00 0.00 C ATOM 0 H LEU A 92 11.264 0.743 3.097 1.00 0.00 H new ATOM 0 HA LEU A 92 9.068 -0.916 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.358 -1.156 4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.193 -2.431 4.317 1.00 0.00 H new ATOM 0 HG LEU A 92 12.115 -1.275 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.202 -3.484 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.231 -2.634 3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.069 -3.955 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.357 -3.120 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.151 -3.577 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.029 -2.005 1.235 1.00 0.00 H new ATOM 1250 N ALA A 93 9.151 0.556 5.573 1.00 0.00 N ATOM 1251 CA ALA A 93 8.360 0.873 6.730 1.00 0.00 C ATOM 1252 C ALA A 93 7.161 1.700 6.336 1.00 0.00 C ATOM 1253 O ALA A 93 6.095 1.543 6.903 1.00 0.00 O ATOM 1254 CB ALA A 93 9.187 1.580 7.792 1.00 0.00 C ATOM 0 H ALA A 93 10.047 1.041 5.528 1.00 0.00 H new ATOM 0 HA ALA A 93 8.006 -0.062 7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.558 1.805 8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.009 0.935 8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.588 2.508 7.383 1.00 0.00 H new ATOM 1260 N THR A 94 7.313 2.516 5.300 1.00 0.00 N ATOM 1261 CA THR A 94 6.239 3.351 4.859 1.00 0.00 C ATOM 1262 C THR A 94 5.149 2.469 4.252 1.00 0.00 C ATOM 1263 O THR A 94 3.960 2.578 4.597 1.00 0.00 O ATOM 1264 CB THR A 94 6.741 4.406 3.838 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.802 5.177 4.438 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.626 5.352 3.427 1.00 0.00 C ATOM 0 H THR A 94 8.174 2.606 4.760 1.00 0.00 H new ATOM 0 HA THR A 94 5.829 3.898 5.708 1.00 0.00 H new ATOM 0 HB THR A 94 7.096 3.880 2.952 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.644 4.679 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.011 6.079 2.711 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.817 4.783 2.968 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.249 5.874 4.307 1.00 0.00 H new ATOM 1274 N GLY A 95 5.591 1.537 3.425 1.00 0.00 N ATOM 1275 CA GLY A 95 4.715 0.619 2.782 1.00 0.00 C ATOM 1276 C GLY A 95 4.079 -0.342 3.742 1.00 0.00 C ATOM 1277 O GLY A 95 2.915 -0.617 3.629 1.00 0.00 O ATOM 0 H GLY A 95 6.575 1.409 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.936 1.173 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.270 0.060 2.029 1.00 0.00 H new ATOM 1281 N ASP A 96 4.836 -0.815 4.716 1.00 0.00 N ATOM 1282 CA ASP A 96 4.351 -1.813 5.650 1.00 0.00 C ATOM 1283 C ASP A 96 3.295 -1.231 6.562 1.00 0.00 C ATOM 1284 O ASP A 96 2.290 -1.883 6.850 1.00 0.00 O ATOM 1285 CB ASP A 96 5.502 -2.403 6.466 1.00 0.00 C ATOM 1286 CG ASP A 96 5.079 -3.597 7.286 1.00 0.00 C ATOM 1287 OD1 ASP A 96 4.739 -4.643 6.693 1.00 0.00 O ATOM 1288 OD2 ASP A 96 5.079 -3.530 8.524 1.00 0.00 O ATOM 0 H ASP A 96 5.798 -0.520 4.881 1.00 0.00 H new ATOM 0 HA ASP A 96 3.896 -2.618 5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.307 -2.696 5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.904 -1.636 7.128 1.00 0.00 H new ATOM 1293 N LEU A 97 3.497 0.013 6.969 1.00 0.00 N ATOM 1294 CA LEU A 97 2.556 0.688 7.842 1.00 0.00 C ATOM 1295 C LEU A 97 1.249 0.996 7.137 1.00 0.00 C ATOM 1296 O LEU A 97 0.166 0.793 7.694 1.00 0.00 O ATOM 1297 CB LEU A 97 3.156 1.946 8.459 1.00 0.00 C ATOM 1298 CG LEU A 97 4.367 1.723 9.363 1.00 0.00 C ATOM 1299 CD1 LEU A 97 4.824 3.027 9.975 1.00 0.00 C ATOM 1300 CD2 LEU A 97 4.060 0.693 10.437 1.00 0.00 C ATOM 0 H LEU A 97 4.307 0.575 6.706 1.00 0.00 H new ATOM 0 HA LEU A 97 2.334 -0.003 8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.445 2.622 7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.382 2.451 9.037 1.00 0.00 H new ATOM 0 HG LEU A 97 5.181 1.334 8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.687 2.846 10.615 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.099 3.724 9.183 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.015 3.453 10.569 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.938 0.552 11.067 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.227 1.041 11.048 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.795 -0.254 9.967 1.00 0.00 H new ATOM 1312 N LEU A 98 1.322 1.469 5.920 1.00 0.00 N ATOM 1313 CA LEU A 98 0.102 1.721 5.191 1.00 0.00 C ATOM 1314 C LEU A 98 -0.545 0.390 4.812 1.00 0.00 C ATOM 1315 O LEU A 98 -1.733 0.307 4.740 1.00 0.00 O ATOM 1316 CB LEU A 98 0.345 2.596 3.951 1.00 0.00 C ATOM 1317 CG LEU A 98 1.001 1.901 2.766 1.00 0.00 C ATOM 1318 CD1 LEU A 98 -0.040 1.275 1.829 1.00 0.00 C ATOM 1319 CD2 LEU A 98 1.953 2.815 2.024 1.00 0.00 C ATOM 0 H LEU A 98 2.186 1.683 5.422 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.577 2.279 5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.612 3.004 3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.969 3.441 4.243 1.00 0.00 H new ATOM 0 HG LEU A 98 1.602 1.086 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.467 0.788 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.627 0.538 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.701 2.053 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.397 2.276 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.408 3.681 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.741 3.147 2.701 1.00 0.00 H new ATOM 1331 N LEU A 99 0.282 -0.654 4.586 1.00 0.00 N ATOM 1332 CA LEU A 99 -0.192 -1.979 4.158 1.00 0.00 C ATOM 1333 C LEU A 99 -1.027 -2.556 5.276 1.00 0.00 C ATOM 1334 O LEU A 99 -2.090 -3.138 5.054 1.00 0.00 O ATOM 1335 CB LEU A 99 1.021 -2.907 3.856 1.00 0.00 C ATOM 1336 CG LEU A 99 0.833 -4.162 2.944 1.00 0.00 C ATOM 1337 CD1 LEU A 99 2.135 -4.928 2.862 1.00 0.00 C ATOM 1338 CD2 LEU A 99 -0.263 -5.088 3.433 1.00 0.00 C ATOM 0 H LEU A 99 1.294 -0.597 4.696 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.787 -1.895 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.797 -2.290 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.409 -3.256 4.813 1.00 0.00 H new ATOM 0 HG LEU A 99 0.535 -3.799 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.003 -5.803 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.909 -4.286 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.433 -5.247 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.346 -5.941 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.021 -5.440 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.211 -4.550 3.456 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.578 -2.344 6.482 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.289 -2.824 7.602 1.00 0.00 C ATOM 1352 C LYS A 100 -2.545 -2.014 7.806 1.00 0.00 C ATOM 1353 O LYS A 100 -3.560 -2.554 8.218 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.418 -2.967 8.861 1.00 0.00 C ATOM 1355 CG LYS A 100 0.252 -1.704 9.330 1.00 0.00 C ATOM 1356 CD LYS A 100 1.308 -1.945 10.412 1.00 0.00 C ATOM 1357 CE LYS A 100 0.723 -2.295 11.800 1.00 0.00 C ATOM 1358 NZ LYS A 100 0.005 -3.598 11.859 1.00 0.00 N ATOM 0 H LYS A 100 0.281 -1.839 6.700 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.599 -3.848 7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.039 -3.350 9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.351 -3.715 8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.721 -1.211 8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.505 -1.021 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.963 -2.755 10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.927 -1.053 10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.534 -2.308 12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.037 -1.503 12.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.202 -4.062 12.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.018 -3.435 11.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.329 -4.208 11.082 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.508 -0.710 7.456 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.748 0.084 7.601 1.00 0.00 C ATOM 1374 C ASP A 101 -4.715 -0.304 6.480 1.00 0.00 C ATOM 1375 O ASP A 101 -5.927 -0.311 6.653 1.00 0.00 O ATOM 1376 CB ASP A 101 -3.517 1.609 7.600 1.00 0.00 C ATOM 1377 CG ASP A 101 -4.796 2.403 7.955 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -5.658 2.639 7.080 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -4.958 2.806 9.138 1.00 0.00 O ATOM 0 H ASP A 101 -1.695 -0.211 7.095 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.167 -0.150 8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.731 1.854 8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.162 1.919 6.617 1.00 0.00 H new ATOM 1384 N LEU A 102 -4.129 -0.670 5.353 1.00 0.00 N ATOM 1385 CA LEU A 102 -4.803 -1.134 4.149 1.00 0.00 C ATOM 1386 C LEU A 102 -5.609 -2.390 4.486 1.00 0.00 C ATOM 1387 O LEU A 102 -6.803 -2.483 4.199 1.00 0.00 O ATOM 1388 CB LEU A 102 -3.696 -1.403 3.069 1.00 0.00 C ATOM 1389 CG LEU A 102 -4.059 -1.773 1.613 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -4.680 -3.145 1.491 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -4.938 -0.715 0.980 1.00 0.00 C ATOM 0 H LEU A 102 -3.115 -0.651 5.246 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.504 -0.398 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.075 -0.508 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -3.068 -2.207 3.453 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.119 -1.810 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.913 -3.347 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -3.980 -3.895 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.596 -3.184 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.176 -1.004 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.860 -0.617 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.412 0.240 0.974 1.00 0.00 H new ATOM 1403 N LYS A 103 -4.965 -3.336 5.130 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.637 -4.559 5.528 1.00 0.00 C ATOM 1405 C LYS A 103 -6.609 -4.296 6.661 1.00 0.00 C ATOM 1406 O LYS A 103 -7.644 -4.943 6.755 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.641 -5.659 5.884 1.00 0.00 C ATOM 1408 CG LYS A 103 -3.771 -6.090 4.716 1.00 0.00 C ATOM 1409 CD LYS A 103 -4.602 -6.668 3.573 1.00 0.00 C ATOM 1410 CE LYS A 103 -3.734 -6.963 2.371 1.00 0.00 C ATOM 1411 NZ LYS A 103 -2.712 -7.981 2.658 1.00 0.00 N ATOM 0 H LYS A 103 -3.980 -3.286 5.390 1.00 0.00 H new ATOM 0 HA LYS A 103 -6.211 -4.917 4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.001 -5.310 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.187 -6.525 6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.199 -5.235 4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.051 -6.835 5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.096 -7.582 3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.387 -5.964 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.361 -7.303 1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.247 -6.045 2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.771 -7.604 2.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -2.745 -8.231 3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.896 -8.829 2.085 1.00 0.00 H new ATOM 1425 N ALA A 104 -6.305 -3.301 7.473 1.00 0.00 N ATOM 1426 CA ALA A 104 -7.165 -2.909 8.555 1.00 0.00 C ATOM 1427 C ALA A 104 -8.416 -2.266 8.002 1.00 0.00 C ATOM 1428 O ALA A 104 -9.485 -2.364 8.589 1.00 0.00 O ATOM 1429 CB ALA A 104 -6.459 -1.972 9.520 1.00 0.00 C ATOM 0 H ALA A 104 -5.453 -2.746 7.394 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.439 -3.802 9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.141 -1.697 10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.586 -2.472 9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.143 -1.074 8.989 1.00 0.00 H new ATOM 1435 N LEU A 105 -8.293 -1.577 6.872 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.438 -0.968 6.271 1.00 0.00 C ATOM 1437 C LEU A 105 -10.295 -2.060 5.725 1.00 0.00 C ATOM 1438 O LEU A 105 -11.477 -1.967 5.771 1.00 0.00 O ATOM 1439 CB LEU A 105 -9.093 0.113 5.199 1.00 0.00 C ATOM 1440 CG LEU A 105 -9.006 -0.330 3.729 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -10.381 -0.341 3.060 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -8.051 0.529 2.950 1.00 0.00 C ATOM 0 H LEU A 105 -7.416 -1.436 6.371 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.978 -0.406 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.843 0.901 5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.136 0.559 5.471 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.623 -1.350 3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.278 -0.659 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -11.037 -1.033 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.809 0.661 3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.015 0.187 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.388 1.565 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.056 0.459 3.390 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.662 -3.121 5.220 1.00 0.00 N ATOM 1455 CA GLN A 106 -10.385 -4.261 4.717 1.00 0.00 C ATOM 1456 C GLN A 106 -11.113 -4.944 5.834 1.00 0.00 C ATOM 1457 O GLN A 106 -12.214 -5.369 5.647 1.00 0.00 O ATOM 1458 CB GLN A 106 -9.481 -5.231 3.953 1.00 0.00 C ATOM 1459 CG GLN A 106 -10.238 -6.407 3.355 1.00 0.00 C ATOM 1460 CD GLN A 106 -9.383 -7.307 2.495 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -9.267 -7.116 1.292 1.00 0.00 O ATOM 1462 NE2 GLN A 106 -8.806 -8.301 3.089 1.00 0.00 N ATOM 0 H GLN A 106 -8.647 -3.202 5.154 1.00 0.00 H new ATOM 0 HA GLN A 106 -11.119 -3.900 3.997 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.971 -4.691 3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.711 -5.607 4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.672 -6.997 4.163 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.066 -6.028 2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.923 -8.432 4.094 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.234 -8.953 2.553 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.516 -4.999 7.003 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.196 -5.573 8.152 1.00 0.00 C ATOM 1473 C LYS A 107 -12.379 -4.689 8.533 1.00 0.00 C ATOM 1474 O LYS A 107 -13.422 -5.183 8.889 1.00 0.00 O ATOM 1475 CB LYS A 107 -10.250 -5.775 9.343 1.00 0.00 C ATOM 1476 CG LYS A 107 -9.011 -6.611 9.026 1.00 0.00 C ATOM 1477 CD LYS A 107 -9.362 -7.966 8.418 1.00 0.00 C ATOM 1478 CE LYS A 107 -8.105 -8.759 8.108 1.00 0.00 C ATOM 1479 NZ LYS A 107 -8.394 -10.073 7.491 1.00 0.00 N ATOM 0 H LYS A 107 -9.572 -4.659 7.187 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.559 -6.563 7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.932 -4.799 9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.801 -6.255 10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.372 -6.061 8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.436 -6.764 9.939 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.991 -8.528 9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.941 -7.822 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.471 -8.179 7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.540 -8.911 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.501 -10.571 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.976 -10.641 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.909 -9.932 6.598 1.00 0.00 H new ATOM 1493 N ARG A 108 -12.212 -3.384 8.373 1.00 0.00 N ATOM 1494 CA ARG A 108 -13.279 -2.429 8.597 1.00 0.00 C ATOM 1495 C ARG A 108 -14.347 -2.603 7.541 1.00 0.00 C ATOM 1496 O ARG A 108 -15.530 -2.548 7.836 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.745 -0.990 8.620 1.00 0.00 C ATOM 1498 CG ARG A 108 -12.043 -0.615 9.916 1.00 0.00 C ATOM 1499 CD ARG A 108 -11.310 0.714 9.813 1.00 0.00 C ATOM 1500 NE ARG A 108 -10.028 0.589 9.082 1.00 0.00 N ATOM 1501 CZ ARG A 108 -9.294 1.632 8.606 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -9.827 2.850 8.535 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -8.049 1.428 8.137 1.00 0.00 N ATOM 0 H ARG A 108 -11.330 -2.961 8.084 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.720 -2.620 9.575 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.051 -0.857 7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.574 -0.302 8.455 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.776 -0.562 10.721 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -11.334 -1.399 10.182 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.946 1.440 9.306 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.120 1.101 10.814 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.667 -0.352 8.923 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.789 3.004 8.838 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.274 3.629 8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.652 0.489 8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.503 2.213 7.781 1.00 0.00 H new ATOM 1517 N VAL A 109 -13.920 -2.844 6.311 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.827 -3.098 5.217 1.00 0.00 C ATOM 1519 C VAL A 109 -15.589 -4.407 5.431 1.00 0.00 C ATOM 1520 O VAL A 109 -16.797 -4.487 5.191 1.00 0.00 O ATOM 1521 CB VAL A 109 -14.113 -3.070 3.831 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -15.050 -3.500 2.726 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.632 -1.676 3.544 1.00 0.00 C ATOM 0 H VAL A 109 -12.934 -2.868 6.049 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.551 -2.283 5.206 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.273 -3.763 3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.525 -3.471 1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.397 -4.515 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.905 -2.825 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.133 -1.656 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.482 -0.994 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.932 -1.366 4.320 1.00 0.00 H new ATOM 1533 N GLN A 110 -14.884 -5.408 5.919 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.481 -6.696 6.254 1.00 0.00 C ATOM 1535 C GLN A 110 -16.483 -6.500 7.351 1.00 0.00 C ATOM 1536 O GLN A 110 -17.580 -7.045 7.316 1.00 0.00 O ATOM 1537 CB GLN A 110 -14.416 -7.694 6.723 1.00 0.00 C ATOM 1538 CG GLN A 110 -13.435 -8.125 5.654 1.00 0.00 C ATOM 1539 CD GLN A 110 -14.079 -8.945 4.569 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -14.131 -10.170 4.655 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -14.566 -8.298 3.551 1.00 0.00 N ATOM 0 H GLN A 110 -13.881 -5.357 6.096 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.962 -7.097 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.860 -7.249 7.548 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.916 -8.579 7.116 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.976 -7.241 5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -12.634 -8.704 6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.504 -7.281 3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.010 -8.808 2.788 1.00 0.00 H new ATOM 1550 N ASP A 111 -16.108 -5.661 8.288 1.00 0.00 N ATOM 1551 CA ASP A 111 -16.908 -5.355 9.449 1.00 0.00 C ATOM 1552 C ASP A 111 -18.103 -4.443 9.103 1.00 0.00 C ATOM 1553 O ASP A 111 -19.055 -4.317 9.871 1.00 0.00 O ATOM 1554 CB ASP A 111 -16.024 -4.749 10.543 1.00 0.00 C ATOM 1555 CG ASP A 111 -16.731 -4.504 11.843 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -17.010 -5.488 12.578 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -16.969 -3.334 12.186 1.00 0.00 O ATOM 0 H ASP A 111 -15.219 -5.162 8.263 1.00 0.00 H new ATOM 0 HA ASP A 111 -17.336 -6.284 9.826 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.180 -5.415 10.722 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.615 -3.805 10.182 1.00 0.00 H new ATOM 1562 N SER A 112 -18.044 -3.819 7.942 1.00 0.00 N ATOM 1563 CA SER A 112 -19.137 -3.000 7.438 1.00 0.00 C ATOM 1564 C SER A 112 -20.295 -3.907 6.989 1.00 0.00 C ATOM 1565 O SER A 112 -21.457 -3.485 6.929 1.00 0.00 O ATOM 1566 CB SER A 112 -18.663 -2.141 6.263 1.00 0.00 C ATOM 1567 OG SER A 112 -17.551 -1.328 6.621 1.00 0.00 O ATOM 0 H SER A 112 -17.238 -3.864 7.319 1.00 0.00 H new ATOM 0 HA SER A 112 -19.480 -2.340 8.235 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.389 -2.786 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 112 -19.482 -1.508 5.921 1.00 0.00 H new ATOM 0 HG SER A 112 -16.827 -1.895 6.959 1.00 0.00 H new ATOM 1573 N GLU A 113 -19.951 -5.126 6.640 1.00 0.00 N ATOM 1574 CA GLU A 113 -20.895 -6.114 6.207 1.00 0.00 C ATOM 1575 C GLU A 113 -21.442 -6.840 7.440 1.00 0.00 C ATOM 1576 O GLU A 113 -20.763 -7.757 7.963 1.00 0.00 O ATOM 1577 CB GLU A 113 -20.204 -7.103 5.262 1.00 0.00 C ATOM 1578 CG GLU A 113 -19.656 -6.487 3.978 1.00 0.00 C ATOM 1579 CD GLU A 113 -20.736 -6.085 3.007 1.00 0.00 C ATOM 1580 OE1 GLU A 113 -21.209 -6.951 2.247 1.00 0.00 O ATOM 1581 OE2 GLU A 113 -21.121 -4.898 2.968 1.00 0.00 O ATOM 1582 OXT GLU A 113 -22.532 -6.488 7.918 1.00 0.00 O ATOM 0 H GLU A 113 -18.987 -5.458 6.652 1.00 0.00 H new ATOM 0 HA GLU A 113 -21.719 -5.643 5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -19.384 -7.582 5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -20.913 -7.887 4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -19.057 -5.611 4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -18.989 -7.201 3.495 1.00 0.00 H new TER 1589 GLU A 113