USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 511 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 39 HIS : no HE2:sc= 0.00516 K(o=1.2,f=-1.5!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.9!) USER MOD Set 2.1: A 49 GLN : amide:sc= -0.314 K(o=-1.5,f=-3!) USER MOD Set 2.2: A 57 ASN : amide:sc= -1.19 K(o=-1.5,f=0.42) USER MOD Set 3.1: A 15 HIS : no HE2:sc= -0.479 K(o=1.6,f=-6.1!) USER MOD Set 3.2: A 20 SER OG : rot 115:sc= 2.08 USER MOD Single : A 5 LYS NZ :NH3+ 177:sc= -0.128 (180deg=-0.139) USER MOD Single : A 6 TYR OH : rot 13:sc= 1.24 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00043 USER MOD Single : A 13 GLN : amide:sc= 0.369 K(o=0.37,f=-0.22) USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 2.4 (180deg=2.19) USER MOD Single : A 16 ASN : amide:sc= 0.928 K(o=0.93,f=-1.7) USER MOD Single : A 17 ASN : amide:sc= 0.0213 K(o=0.021,f=-4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.855 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 90:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.934 X(o=-0.93,f=-1.2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= -0.0443 (180deg=-0.259) USER MOD Single : A 30 TYR OH : rot 21:sc= 1.11 USER MOD Single : A 33 THR OG1 : rot 112:sc= 1.73 USER MOD Single : A 34 LYS NZ :NH3+ -115:sc= 0.422! (180deg=-6.51!) USER MOD Single : A 45 HIS : no HE2:sc= 0.471 K(o=0.47,f=-1.9!) USER MOD Single : A 55 THR OG1 : rot 31:sc= 1.23 USER MOD Single : A 64 SER OG : rot -170:sc= 0.846 USER MOD Single : A 65 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 71 SER OG : rot -56:sc= 1.2 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= 0.853 (180deg=-1.55!) USER MOD Single : A 73 THR OG1 : rot -39:sc= 0.244 USER MOD Single : A 80 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 2.742 -2.216 -13.777 1.00 0.00 N ATOM 30 CA LYS A 5 3.500 -3.451 -13.574 1.00 0.00 C ATOM 31 C LYS A 5 2.664 -4.590 -13.005 1.00 0.00 C ATOM 32 O LYS A 5 2.861 -5.731 -13.412 1.00 0.00 O ATOM 33 CB LYS A 5 4.733 -3.143 -12.711 1.00 0.00 C ATOM 34 CG LYS A 5 5.469 -4.428 -12.294 1.00 0.00 C ATOM 35 CD LYS A 5 6.948 -4.189 -11.955 1.00 0.00 C ATOM 36 CE LYS A 5 7.888 -4.415 -13.147 1.00 0.00 C ATOM 37 NZ LYS A 5 7.590 -3.508 -14.271 1.00 0.00 N ATOM 0 HA LYS A 5 3.824 -3.814 -14.549 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.414 -2.497 -13.266 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.427 -2.594 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.969 -4.862 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.400 -5.158 -13.101 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.070 -3.168 -11.593 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.239 -4.853 -11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.920 -4.268 -12.827 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.803 -5.448 -13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.281 -3.661 -15.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.632 -3.700 -14.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.647 -2.522 -13.946 1.00 0.00 H new ATOM 47 N TYR A 6 1.773 -4.265 -12.068 1.00 0.00 N ATOM 48 CA TYR A 6 1.038 -5.223 -11.243 1.00 0.00 C ATOM 49 C TYR A 6 1.955 -6.029 -10.309 1.00 0.00 C ATOM 50 O TYR A 6 3.099 -6.330 -10.640 1.00 0.00 O ATOM 51 CB TYR A 6 0.176 -6.160 -12.096 1.00 0.00 C ATOM 52 CG TYR A 6 -0.876 -5.480 -12.962 1.00 0.00 C ATOM 53 CD1 TYR A 6 -2.047 -5.006 -12.357 1.00 0.00 C ATOM 54 CD2 TYR A 6 -0.746 -5.371 -14.361 1.00 0.00 C ATOM 55 CE1 TYR A 6 -3.057 -4.403 -13.111 1.00 0.00 C ATOM 56 CE2 TYR A 6 -1.715 -4.661 -15.102 1.00 0.00 C ATOM 57 CZ TYR A 6 -2.810 -4.071 -14.442 1.00 0.00 C ATOM 58 OH TYR A 6 -3.513 -3.041 -14.990 1.00 0.00 O ATOM 0 H TYR A 6 1.536 -3.296 -11.856 1.00 0.00 H new ATOM 0 HA TYR A 6 0.377 -4.631 -10.611 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.833 -6.741 -12.743 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.325 -6.866 -11.434 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.171 -5.108 -11.289 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.092 -5.829 -14.865 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.020 -4.196 -12.667 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -1.617 -4.570 -16.174 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.965 -2.539 -14.280 1.00 0.00 H new ATOM 67 N TYR A 7 1.445 -6.390 -9.131 1.00 0.00 N ATOM 68 CA TYR A 7 2.114 -7.304 -8.219 1.00 0.00 C ATOM 69 C TYR A 7 1.045 -8.178 -7.582 1.00 0.00 C ATOM 70 O TYR A 7 0.097 -7.653 -7.015 1.00 0.00 O ATOM 71 CB TYR A 7 2.900 -6.530 -7.158 1.00 0.00 C ATOM 72 CG TYR A 7 3.991 -5.648 -7.721 1.00 0.00 C ATOM 73 CD1 TYR A 7 5.268 -6.189 -7.944 1.00 0.00 C ATOM 74 CD2 TYR A 7 3.728 -4.306 -8.054 1.00 0.00 C ATOM 75 CE1 TYR A 7 6.324 -5.349 -8.325 1.00 0.00 C ATOM 76 CE2 TYR A 7 4.764 -3.497 -8.553 1.00 0.00 C ATOM 77 CZ TYR A 7 6.075 -3.994 -8.597 1.00 0.00 C ATOM 78 OH TYR A 7 7.103 -3.173 -8.936 1.00 0.00 O ATOM 0 H TYR A 7 0.548 -6.050 -8.785 1.00 0.00 H new ATOM 0 HA TYR A 7 2.833 -7.923 -8.756 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.207 -5.913 -6.586 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.345 -7.240 -6.461 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.436 -7.249 -7.822 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.735 -3.900 -7.927 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.326 -5.743 -8.409 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.551 -2.497 -8.901 1.00 0.00 H new ATOM 0 HH TYR A 7 6.761 -2.268 -9.093 1.00 0.00 H new ATOM 87 N THR A 8 1.158 -9.498 -7.692 1.00 0.00 N ATOM 88 CA THR A 8 0.169 -10.381 -7.085 1.00 0.00 C ATOM 89 C THR A 8 0.218 -10.206 -5.577 1.00 0.00 C ATOM 90 O THR A 8 1.277 -10.012 -4.984 1.00 0.00 O ATOM 91 CB THR A 8 0.414 -11.837 -7.488 1.00 0.00 C ATOM 92 OG1 THR A 8 1.769 -12.167 -7.259 1.00 0.00 O ATOM 93 CG2 THR A 8 0.097 -12.036 -8.971 1.00 0.00 C ATOM 0 H THR A 8 1.912 -9.974 -8.188 1.00 0.00 H new ATOM 0 HA THR A 8 -0.826 -10.117 -7.443 1.00 0.00 H new ATOM 0 HB THR A 8 -0.233 -12.480 -6.892 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.926 -13.100 -7.515 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.275 -13.076 -9.245 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.948 -11.786 -9.157 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.737 -11.388 -9.570 1.00 0.00 H new ATOM 101 N LEU A 9 -0.948 -10.255 -4.953 1.00 0.00 N ATOM 102 CA LEU A 9 -1.136 -10.138 -3.522 1.00 0.00 C ATOM 103 C LEU A 9 -0.246 -11.119 -2.759 1.00 0.00 C ATOM 104 O LEU A 9 0.196 -10.818 -1.665 1.00 0.00 O ATOM 105 CB LEU A 9 -2.595 -10.418 -3.267 1.00 0.00 C ATOM 106 CG LEU A 9 -3.230 -9.685 -2.084 1.00 0.00 C ATOM 107 CD1 LEU A 9 -4.732 -9.984 -2.051 1.00 0.00 C ATOM 108 CD2 LEU A 9 -2.616 -10.009 -0.724 1.00 0.00 C ATOM 0 H LEU A 9 -1.826 -10.383 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.856 -9.144 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.154 -10.163 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.715 -11.490 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.035 -8.626 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.188 -9.463 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.191 -9.645 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.887 -11.057 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.131 -9.443 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.718 -11.075 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.560 -9.740 -0.728 1.00 0.00 H new ATOM 119 N GLU A 10 0.032 -12.292 -3.331 1.00 0.00 N ATOM 120 CA GLU A 10 1.085 -13.182 -2.833 1.00 0.00 C ATOM 121 C GLU A 10 2.360 -12.370 -2.543 1.00 0.00 C ATOM 122 O GLU A 10 2.918 -12.419 -1.448 1.00 0.00 O ATOM 123 CB GLU A 10 1.375 -14.303 -3.859 1.00 0.00 C ATOM 124 CG GLU A 10 2.853 -14.731 -3.738 1.00 0.00 C ATOM 125 CD GLU A 10 3.291 -16.026 -4.392 1.00 0.00 C ATOM 126 OE1 GLU A 10 2.439 -16.728 -4.973 1.00 0.00 O ATOM 127 OE2 GLU A 10 4.518 -16.261 -4.271 1.00 0.00 O ATOM 0 H GLU A 10 -0.462 -12.651 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 10 0.747 -13.648 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.721 -15.156 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.167 -13.950 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.464 -13.929 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.092 -14.799 -2.677 1.00 0.00 H new ATOM 132 N GLU A 11 2.823 -11.620 -3.544 1.00 0.00 N ATOM 133 CA GLU A 11 3.972 -10.749 -3.421 1.00 0.00 C ATOM 134 C GLU A 11 3.665 -9.653 -2.423 1.00 0.00 C ATOM 135 O GLU A 11 4.389 -9.486 -1.453 1.00 0.00 O ATOM 136 CB GLU A 11 4.411 -10.201 -4.794 1.00 0.00 C ATOM 137 CG GLU A 11 5.940 -10.016 -4.850 1.00 0.00 C ATOM 138 CD GLU A 11 6.720 -11.309 -4.620 1.00 0.00 C ATOM 139 OE1 GLU A 11 6.182 -12.387 -4.957 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.817 -11.233 -4.032 1.00 0.00 O ATOM 0 H GLU A 11 2.399 -11.607 -4.471 1.00 0.00 H new ATOM 0 HA GLU A 11 4.821 -11.319 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.095 -10.885 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.918 -9.247 -4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.213 -9.605 -5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.237 -9.284 -4.099 1.00 0.00 H new ATOM 145 N ILE A 12 2.545 -8.955 -2.590 1.00 0.00 N ATOM 146 CA ILE A 12 2.186 -7.900 -1.649 1.00 0.00 C ATOM 147 C ILE A 12 2.244 -8.362 -0.185 1.00 0.00 C ATOM 148 O ILE A 12 2.807 -7.666 0.660 1.00 0.00 O ATOM 149 CB ILE A 12 0.854 -7.225 -2.015 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.670 -6.953 -3.520 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.767 -5.867 -1.317 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.725 -6.415 -3.828 1.00 0.00 C ATOM 0 H ILE A 12 1.882 -9.097 -3.352 1.00 0.00 H new ATOM 0 HA ILE A 12 2.952 -7.130 -1.741 1.00 0.00 H new ATOM 0 HB ILE A 12 0.081 -7.926 -1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.419 -6.236 -3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.837 -7.873 -4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.176 -5.385 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.819 -6.009 -0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.596 -5.238 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.817 -6.235 -4.899 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.473 -7.144 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.882 -5.481 -3.288 1.00 0.00 H new ATOM 163 N GLN A 13 1.783 -9.581 0.102 1.00 0.00 N ATOM 164 CA GLN A 13 1.842 -10.151 1.447 1.00 0.00 C ATOM 165 C GLN A 13 3.256 -10.213 2.016 1.00 0.00 C ATOM 166 O GLN A 13 3.445 -10.119 3.226 1.00 0.00 O ATOM 167 CB GLN A 13 1.251 -11.566 1.444 1.00 0.00 C ATOM 168 CG GLN A 13 -0.273 -11.568 1.615 1.00 0.00 C ATOM 169 CD GLN A 13 -0.760 -10.977 2.935 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.877 -11.678 3.931 1.00 0.00 O ATOM 171 NE2 GLN A 13 -1.077 -9.689 2.969 1.00 0.00 N ATOM 0 H GLN A 13 1.359 -10.199 -0.590 1.00 0.00 H new ATOM 0 HA GLN A 13 1.260 -9.485 2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.509 -12.062 0.508 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.704 -12.147 2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.719 -11.008 0.793 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.634 -12.593 1.535 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.975 -9.116 2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.423 -9.272 3.833 1.00 0.00 H new ATOM 178 N LYS A 14 4.254 -10.396 1.155 1.00 0.00 N ATOM 179 CA LYS A 14 5.631 -10.518 1.582 1.00 0.00 C ATOM 180 C LYS A 14 6.166 -9.150 2.058 1.00 0.00 C ATOM 181 O LYS A 14 7.042 -9.081 2.921 1.00 0.00 O ATOM 182 CB LYS A 14 6.439 -11.086 0.404 1.00 0.00 C ATOM 183 CG LYS A 14 6.056 -12.533 0.052 1.00 0.00 C ATOM 184 CD LYS A 14 6.665 -12.955 -1.300 1.00 0.00 C ATOM 185 CE LYS A 14 5.943 -14.194 -1.859 1.00 0.00 C ATOM 186 NZ LYS A 14 6.178 -14.400 -3.309 1.00 0.00 N ATOM 0 H LYS A 14 4.124 -10.463 0.146 1.00 0.00 H new ATOM 0 HA LYS A 14 5.721 -11.195 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.288 -10.453 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.501 -11.046 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.403 -13.205 0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.971 -12.625 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.590 -12.132 -2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.726 -13.172 -1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.276 -15.077 -1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.872 -14.094 -1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.709 -15.276 -3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.791 -13.595 -3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.200 -14.474 -3.488 1.00 0.00 H new ATOM 196 N HIS A 15 5.629 -8.048 1.516 1.00 0.00 N ATOM 197 CA HIS A 15 6.066 -6.692 1.837 1.00 0.00 C ATOM 198 C HIS A 15 5.275 -6.084 2.999 1.00 0.00 C ATOM 199 O HIS A 15 4.440 -5.201 2.817 1.00 0.00 O ATOM 200 CB HIS A 15 5.947 -5.797 0.610 1.00 0.00 C ATOM 201 CG HIS A 15 6.887 -6.140 -0.510 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.027 -5.450 -0.841 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.680 -7.084 -1.475 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.531 -6.008 -1.954 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.745 -7.009 -2.379 1.00 0.00 N ATOM 0 H HIS A 15 4.870 -8.079 0.835 1.00 0.00 H new ATOM 0 HA HIS A 15 7.109 -6.757 2.148 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.924 -5.849 0.237 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.124 -4.765 0.912 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.420 -4.657 -0.334 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.844 -7.766 -1.530 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.443 -5.694 -2.440 1.00 0.00 H new ATOM 212 N ASN A 16 5.587 -6.525 4.213 1.00 0.00 N ATOM 213 CA ASN A 16 5.096 -5.895 5.443 1.00 0.00 C ATOM 214 C ASN A 16 5.968 -6.182 6.673 1.00 0.00 C ATOM 215 O ASN A 16 5.481 -6.183 7.801 1.00 0.00 O ATOM 216 CB ASN A 16 3.610 -6.206 5.667 1.00 0.00 C ATOM 217 CG ASN A 16 3.297 -7.668 5.948 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.180 -8.511 6.058 1.00 0.00 O ATOM 219 ND2 ASN A 16 2.016 -7.979 6.075 1.00 0.00 N ATOM 0 H ASN A 16 6.189 -7.332 4.377 1.00 0.00 H new ATOM 0 HA ASN A 16 5.182 -4.818 5.300 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.250 -5.605 6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.051 -5.893 4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.742 -8.942 6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.304 -7.256 5.978 1.00 0.00 H new ATOM 225 N ASN A 17 7.274 -6.376 6.458 1.00 0.00 N ATOM 226 CA ASN A 17 8.261 -6.473 7.526 1.00 0.00 C ATOM 227 C ASN A 17 8.821 -5.056 7.786 1.00 0.00 C ATOM 228 O ASN A 17 8.064 -4.144 8.097 1.00 0.00 O ATOM 229 CB ASN A 17 9.279 -7.538 7.083 1.00 0.00 C ATOM 230 CG ASN A 17 10.365 -7.810 8.112 1.00 0.00 C ATOM 231 OD1 ASN A 17 11.469 -7.293 7.978 1.00 0.00 O ATOM 232 ND2 ASN A 17 10.073 -8.584 9.145 1.00 0.00 N ATOM 0 H ASN A 17 7.674 -6.470 5.525 1.00 0.00 H new ATOM 0 HA ASN A 17 7.869 -6.802 8.489 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.750 -8.467 6.871 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.745 -7.217 6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.777 -8.766 9.861 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.144 -8.998 9.225 1.00 0.00 H new ATOM 238 N SER A 18 10.126 -4.845 7.626 1.00 0.00 N ATOM 239 CA SER A 18 10.773 -3.524 7.607 1.00 0.00 C ATOM 240 C SER A 18 11.549 -3.326 6.296 1.00 0.00 C ATOM 241 O SER A 18 11.684 -2.207 5.814 1.00 0.00 O ATOM 242 CB SER A 18 11.638 -3.340 8.856 1.00 0.00 C ATOM 243 OG SER A 18 10.789 -3.261 9.992 1.00 0.00 O ATOM 0 H SER A 18 10.788 -5.611 7.502 1.00 0.00 H new ATOM 0 HA SER A 18 10.014 -2.743 7.636 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.332 -4.174 8.961 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.238 -2.434 8.770 1.00 0.00 H new ATOM 0 HG SER A 18 11.333 -3.145 10.799 1.00 0.00 H new ATOM 248 N LYS A 19 12.018 -4.433 5.707 1.00 0.00 N ATOM 249 CA LYS A 19 12.541 -4.592 4.361 1.00 0.00 C ATOM 250 C LYS A 19 11.828 -3.685 3.345 1.00 0.00 C ATOM 251 O LYS A 19 12.463 -2.985 2.562 1.00 0.00 O ATOM 252 CB LYS A 19 12.263 -6.062 4.003 1.00 0.00 C ATOM 253 CG LYS A 19 12.951 -7.091 4.914 1.00 0.00 C ATOM 254 CD LYS A 19 13.952 -7.966 4.142 1.00 0.00 C ATOM 255 CE LYS A 19 15.163 -7.143 3.678 1.00 0.00 C ATOM 256 NZ LYS A 19 16.138 -7.976 2.939 1.00 0.00 N ATOM 0 H LYS A 19 12.039 -5.317 6.215 1.00 0.00 H new ATOM 0 HA LYS A 19 13.597 -4.323 4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.187 -6.232 4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.582 -6.237 2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.470 -6.572 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.196 -7.726 5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.288 -8.786 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.459 -8.412 3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.825 -6.326 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.650 -6.693 4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.942 -7.387 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.479 -8.741 3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.679 -8.386 2.100 1.00 0.00 H new ATOM 266 N SER A 20 10.494 -3.745 3.361 1.00 0.00 N ATOM 267 CA SER A 20 9.588 -2.937 2.554 1.00 0.00 C ATOM 268 C SER A 20 8.151 -3.127 3.070 1.00 0.00 C ATOM 269 O SER A 20 7.806 -4.220 3.529 1.00 0.00 O ATOM 270 CB SER A 20 9.746 -3.295 1.069 1.00 0.00 C ATOM 271 OG SER A 20 8.590 -2.957 0.322 1.00 0.00 O ATOM 0 H SER A 20 9.995 -4.393 3.970 1.00 0.00 H new ATOM 0 HA SER A 20 9.832 -1.878 2.645 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.610 -2.772 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.943 -4.363 0.971 1.00 0.00 H new ATOM 0 HG SER A 20 8.810 -2.250 -0.320 1.00 0.00 H new ATOM 276 N THR A 21 7.348 -2.057 3.047 1.00 0.00 N ATOM 277 CA THR A 21 5.958 -2.025 3.506 1.00 0.00 C ATOM 278 C THR A 21 5.050 -1.620 2.357 1.00 0.00 C ATOM 279 O THR A 21 4.973 -0.434 2.030 1.00 0.00 O ATOM 280 CB THR A 21 5.788 -1.053 4.687 1.00 0.00 C ATOM 281 OG1 THR A 21 6.305 -1.669 5.848 1.00 0.00 O ATOM 282 CG2 THR A 21 4.340 -0.635 4.944 1.00 0.00 C ATOM 0 H THR A 21 7.664 -1.154 2.693 1.00 0.00 H new ATOM 0 HA THR A 21 5.683 -3.022 3.850 1.00 0.00 H new ATOM 0 HB THR A 21 6.328 -0.141 4.431 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.256 -1.451 5.938 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.304 0.050 5.791 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.942 -0.139 4.059 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.740 -1.518 5.165 1.00 0.00 H new ATOM 290 N TRP A 22 4.347 -2.604 1.786 1.00 0.00 N ATOM 291 CA TRP A 22 3.313 -2.389 0.789 1.00 0.00 C ATOM 292 C TRP A 22 1.938 -2.280 1.390 1.00 0.00 C ATOM 293 O TRP A 22 1.711 -2.591 2.550 1.00 0.00 O ATOM 294 CB TRP A 22 3.377 -3.414 -0.360 1.00 0.00 C ATOM 295 CG TRP A 22 4.601 -3.419 -1.226 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.696 -2.657 -1.037 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.890 -4.214 -2.420 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.603 -2.876 -2.045 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.157 -3.821 -2.942 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.212 -5.225 -3.131 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.683 -4.368 -4.122 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.792 -5.873 -4.227 1.00 0.00 C ATOM 303 CH2 TRP A 22 6.008 -5.421 -4.749 1.00 0.00 C ATOM 0 H TRP A 22 4.490 -3.588 2.014 1.00 0.00 H new ATOM 0 HA TRP A 22 3.523 -1.417 0.342 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.269 -4.409 0.072 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.512 -3.250 -1.003 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.840 -1.974 -0.213 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.500 -2.396 -2.120 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.217 -5.507 -2.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.599 -3.980 -4.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.299 -6.725 -4.671 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.424 -5.883 -5.632 1.00 0.00 H new ATOM 313 N LEU A 23 1.024 -1.780 0.573 1.00 0.00 N ATOM 314 CA LEU A 23 -0.372 -1.718 0.884 1.00 0.00 C ATOM 315 C LEU A 23 -1.193 -1.617 -0.401 1.00 0.00 C ATOM 316 O LEU A 23 -0.613 -1.309 -1.440 1.00 0.00 O ATOM 317 CB LEU A 23 -0.677 -0.558 1.835 1.00 0.00 C ATOM 318 CG LEU A 23 0.244 0.506 2.449 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.484 1.863 2.269 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.348 0.344 3.975 1.00 0.00 C ATOM 0 H LEU A 23 1.252 -1.399 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.653 -2.637 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.448 0.017 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.152 -1.031 2.694 1.00 0.00 H new ATOM 0 HG LEU A 23 1.226 0.431 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.127 2.662 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.647 2.051 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.444 1.832 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.007 1.113 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.642 0.445 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.752 -0.641 4.210 1.00 0.00 H new ATOM 331 N ILE A 24 -2.515 -1.848 -0.335 1.00 0.00 N ATOM 332 CA ILE A 24 -3.421 -1.581 -1.460 1.00 0.00 C ATOM 333 C ILE A 24 -4.469 -0.528 -1.107 1.00 0.00 C ATOM 334 O ILE A 24 -5.250 -0.717 -0.172 1.00 0.00 O ATOM 335 CB ILE A 24 -4.145 -2.842 -1.969 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.211 -3.949 -2.464 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.167 -2.525 -3.075 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.799 -5.362 -2.327 1.00 0.00 C ATOM 0 H ILE A 24 -2.980 -2.222 0.492 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.776 -1.210 -2.257 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.662 -3.216 -1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.968 -3.766 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.276 -3.899 -1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.650 -3.447 -3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.920 -1.838 -2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.656 -2.066 -3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.080 -6.093 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.015 -5.566 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.719 -5.431 -2.907 1.00 0.00 H new ATOM 349 N LEU A 25 -4.526 0.546 -1.901 1.00 0.00 N ATOM 350 CA LEU A 25 -5.524 1.607 -1.767 1.00 0.00 C ATOM 351 C LEU A 25 -6.199 1.804 -3.134 1.00 0.00 C ATOM 352 O LEU A 25 -5.637 2.442 -4.026 1.00 0.00 O ATOM 353 CB LEU A 25 -4.958 2.908 -1.152 1.00 0.00 C ATOM 354 CG LEU A 25 -3.744 2.743 -0.230 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.196 4.091 0.235 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.074 1.897 1.000 1.00 0.00 C ATOM 0 H LEU A 25 -3.869 0.703 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.280 1.304 -1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.683 3.581 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.753 3.396 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.985 2.233 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.337 3.929 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.890 4.678 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.970 4.629 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.187 1.805 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.871 2.376 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.399 0.906 0.683 1.00 0.00 H new ATOM 367 N HIS A 26 -7.388 1.222 -3.318 1.00 0.00 N ATOM 368 CA HIS A 26 -8.191 1.324 -4.539 1.00 0.00 C ATOM 369 C HIS A 26 -7.554 0.522 -5.697 1.00 0.00 C ATOM 370 O HIS A 26 -7.200 1.079 -6.733 1.00 0.00 O ATOM 371 CB HIS A 26 -8.454 2.807 -4.890 1.00 0.00 C ATOM 372 CG HIS A 26 -8.747 3.696 -3.699 1.00 0.00 C ATOM 373 ND1 HIS A 26 -9.956 3.813 -3.049 1.00 0.00 N ATOM 374 CD2 HIS A 26 -7.837 4.459 -3.011 1.00 0.00 C ATOM 375 CE1 HIS A 26 -9.770 4.620 -1.989 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.495 5.035 -1.923 1.00 0.00 N ATOM 0 H HIS A 26 -7.831 0.650 -2.599 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.165 0.867 -4.363 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.585 3.202 -5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.295 2.859 -5.581 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -10.833 3.369 -3.322 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.796 4.591 -3.266 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.542 4.897 -1.286 1.00 0.00 H new ATOM 383 N TYR A 27 -7.331 -0.785 -5.485 1.00 0.00 N ATOM 384 CA TYR A 27 -6.601 -1.724 -6.362 1.00 0.00 C ATOM 385 C TYR A 27 -5.097 -1.459 -6.480 1.00 0.00 C ATOM 386 O TYR A 27 -4.334 -2.368 -6.817 1.00 0.00 O ATOM 387 CB TYR A 27 -7.148 -1.800 -7.795 1.00 0.00 C ATOM 388 CG TYR A 27 -8.621 -2.124 -7.933 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.035 -3.469 -7.977 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.566 -1.097 -8.107 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.384 -3.786 -8.209 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.921 -1.416 -8.308 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.327 -2.759 -8.357 1.00 0.00 C ATOM 394 OH TYR A 27 -12.631 -3.067 -8.593 1.00 0.00 O ATOM 0 H TYR A 27 -7.676 -1.247 -4.644 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.765 -2.669 -5.843 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.960 -0.844 -8.284 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.579 -2.554 -8.339 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.313 -4.259 -7.832 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.251 -0.064 -8.086 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.694 -4.819 -8.273 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.650 -0.627 -8.425 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.154 -2.241 -8.669 1.00 0.00 H new ATOM 403 N LYS A 28 -4.674 -0.207 -6.288 1.00 0.00 N ATOM 404 CA LYS A 28 -3.318 0.211 -6.564 1.00 0.00 C ATOM 405 C LYS A 28 -2.399 -0.225 -5.424 1.00 0.00 C ATOM 406 O LYS A 28 -2.881 -0.326 -4.303 1.00 0.00 O ATOM 407 CB LYS A 28 -3.291 1.699 -6.940 1.00 0.00 C ATOM 408 CG LYS A 28 -4.011 1.834 -8.290 1.00 0.00 C ATOM 409 CD LYS A 28 -3.822 3.198 -8.957 1.00 0.00 C ATOM 410 CE LYS A 28 -4.645 3.281 -10.255 1.00 0.00 C ATOM 411 NZ LYS A 28 -4.345 2.172 -11.194 1.00 0.00 N ATOM 0 H LYS A 28 -5.273 0.540 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.913 -0.290 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.787 2.299 -6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.265 2.060 -7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.649 1.057 -8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.076 1.657 -8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.129 3.990 -8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.767 3.359 -9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.707 3.266 -10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.445 4.233 -10.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.765 2.380 -12.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.315 2.071 -11.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.745 1.286 -10.824 1.00 0.00 H new ATOM 421 N VAL A 29 -1.125 -0.533 -5.696 1.00 0.00 N ATOM 422 CA VAL A 29 -0.158 -0.955 -4.670 1.00 0.00 C ATOM 423 C VAL A 29 0.768 0.204 -4.297 1.00 0.00 C ATOM 424 O VAL A 29 1.196 0.962 -5.171 1.00 0.00 O ATOM 425 CB VAL A 29 0.653 -2.188 -5.088 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.643 -2.590 -3.986 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.272 -3.387 -5.210 1.00 0.00 C ATOM 0 H VAL A 29 -0.732 -0.497 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.735 -1.246 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 29 1.158 -1.935 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.207 -3.467 -4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.331 -1.766 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.096 -2.823 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.305 -4.263 -5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.751 -3.577 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.035 -3.183 -5.961 1.00 0.00 H new ATOM 437 N TYR A 30 1.077 0.312 -3.000 1.00 0.00 N ATOM 438 CA TYR A 30 1.704 1.444 -2.361 1.00 0.00 C ATOM 439 C TYR A 30 2.853 1.025 -1.437 1.00 0.00 C ATOM 440 O TYR A 30 2.556 0.449 -0.403 1.00 0.00 O ATOM 441 CB TYR A 30 0.575 2.020 -1.513 1.00 0.00 C ATOM 442 CG TYR A 30 -0.509 2.732 -2.289 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.513 1.956 -2.875 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.566 4.134 -2.391 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.557 2.564 -3.577 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.668 4.738 -3.028 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.664 3.952 -3.620 1.00 0.00 C ATOM 448 OH TYR A 30 -3.777 4.516 -4.165 1.00 0.00 O ATOM 0 H TYR A 30 0.879 -0.441 -2.341 1.00 0.00 H new ATOM 0 HA TYR A 30 2.135 2.133 -3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.120 1.210 -0.943 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.002 2.717 -0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.482 0.880 -2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.228 4.742 -1.984 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.286 1.954 -4.090 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.745 5.815 -3.060 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.507 3.862 -4.168 1.00 0.00 H new ATOM 457 N ASP A 31 4.106 1.366 -1.757 1.00 0.00 N ATOM 458 CA ASP A 31 5.322 1.034 -0.979 1.00 0.00 C ATOM 459 C ASP A 31 5.817 2.279 -0.236 1.00 0.00 C ATOM 460 O ASP A 31 6.176 3.275 -0.866 1.00 0.00 O ATOM 461 CB ASP A 31 6.476 0.476 -1.836 1.00 0.00 C ATOM 462 CG ASP A 31 7.659 -0.036 -0.989 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.871 0.467 0.138 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.333 -0.985 -1.449 1.00 0.00 O ATOM 0 H ASP A 31 4.318 1.903 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 31 5.030 0.247 -0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.101 -0.338 -2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.830 1.255 -2.512 1.00 0.00 H new ATOM 468 N LEU A 32 5.834 2.218 1.096 1.00 0.00 N ATOM 469 CA LEU A 32 5.969 3.421 1.921 1.00 0.00 C ATOM 470 C LEU A 32 7.215 3.474 2.798 1.00 0.00 C ATOM 471 O LEU A 32 7.863 4.516 2.851 1.00 0.00 O ATOM 472 CB LEU A 32 4.663 3.568 2.701 1.00 0.00 C ATOM 473 CG LEU A 32 3.498 3.333 1.730 1.00 0.00 C ATOM 474 CD1 LEU A 32 2.169 3.505 2.395 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.421 4.329 0.589 1.00 0.00 C ATOM 0 H LEU A 32 5.756 1.350 1.627 1.00 0.00 H new ATOM 0 HA LEU A 32 6.130 4.281 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.626 2.850 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.594 4.561 3.144 1.00 0.00 H new ATOM 0 HG LEU A 32 3.695 2.322 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.374 3.329 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.077 2.792 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.086 4.519 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.569 4.088 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.300 5.335 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.338 4.281 0.002 1.00 0.00 H new ATOM 486 N THR A 33 7.520 2.363 3.475 1.00 0.00 N ATOM 487 CA THR A 33 8.738 1.997 4.217 1.00 0.00 C ATOM 488 C THR A 33 9.490 3.060 5.044 1.00 0.00 C ATOM 489 O THR A 33 9.755 2.844 6.220 1.00 0.00 O ATOM 490 CB THR A 33 9.641 1.203 3.264 1.00 0.00 C ATOM 491 OG1 THR A 33 8.841 0.253 2.576 1.00 0.00 O ATOM 492 CG2 THR A 33 10.706 0.438 4.050 1.00 0.00 C ATOM 0 H THR A 33 6.839 1.605 3.524 1.00 0.00 H new ATOM 0 HA THR A 33 8.383 1.398 5.056 1.00 0.00 H new ATOM 0 HB THR A 33 10.124 1.895 2.574 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.781 0.500 1.630 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.338 -0.120 3.359 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.318 1.142 4.614 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.222 -0.255 4.739 1.00 0.00 H new ATOM 500 N LYS A 34 9.842 4.197 4.459 1.00 0.00 N ATOM 501 CA LYS A 34 10.311 5.385 5.165 1.00 0.00 C ATOM 502 C LYS A 34 9.166 6.175 5.753 1.00 0.00 C ATOM 503 O LYS A 34 9.227 6.591 6.903 1.00 0.00 O ATOM 504 CB LYS A 34 10.913 6.328 4.124 1.00 0.00 C ATOM 505 CG LYS A 34 12.331 5.993 3.719 1.00 0.00 C ATOM 506 CD LYS A 34 13.398 6.256 4.800 1.00 0.00 C ATOM 507 CE LYS A 34 13.369 7.654 5.449 1.00 0.00 C ATOM 508 NZ LYS A 34 12.332 7.763 6.497 1.00 0.00 N ATOM 0 H LYS A 34 9.808 4.323 3.447 1.00 0.00 H new ATOM 0 HA LYS A 34 11.000 5.057 5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.283 6.317 3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.892 7.344 4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.373 4.941 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.585 6.572 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.283 5.509 5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.382 6.103 4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.345 7.872 5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.187 8.405 4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.612 8.453 6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.885 6.835 6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.769 8.078 7.387 1.00 0.00 H new ATOM 518 N PHE A 35 8.160 6.429 4.916 1.00 0.00 N ATOM 519 CA PHE A 35 7.054 7.335 5.240 1.00 0.00 C ATOM 520 C PHE A 35 6.459 6.979 6.605 1.00 0.00 C ATOM 521 O PHE A 35 6.069 7.840 7.381 1.00 0.00 O ATOM 522 CB PHE A 35 6.016 7.348 4.119 1.00 0.00 C ATOM 523 CG PHE A 35 4.857 8.282 4.395 1.00 0.00 C ATOM 524 CD1 PHE A 35 5.102 9.645 4.647 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.537 7.795 4.405 1.00 0.00 C ATOM 526 CE1 PHE A 35 4.028 10.529 4.850 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.464 8.679 4.611 1.00 0.00 C ATOM 528 CZ PHE A 35 2.709 10.052 4.796 1.00 0.00 C ATOM 0 H PHE A 35 8.088 6.010 3.989 1.00 0.00 H new ATOM 0 HA PHE A 35 7.433 8.354 5.316 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.499 7.643 3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.634 6.338 3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.117 10.012 4.684 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.348 6.742 4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.218 11.574 5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.451 8.304 4.627 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.882 10.739 4.896 1.00 0.00 H new ATOM 537 N LEU A 36 6.474 5.680 6.895 1.00 0.00 N ATOM 538 CA LEU A 36 6.301 5.051 8.194 1.00 0.00 C ATOM 539 C LEU A 36 6.733 5.956 9.370 1.00 0.00 C ATOM 540 O LEU A 36 5.925 6.295 10.225 1.00 0.00 O ATOM 541 CB LEU A 36 7.189 3.798 8.105 1.00 0.00 C ATOM 542 CG LEU A 36 6.747 2.783 7.041 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.281 1.406 7.469 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.237 2.603 6.878 1.00 0.00 C ATOM 0 H LEU A 36 6.620 4.985 6.162 1.00 0.00 H new ATOM 0 HA LEU A 36 5.253 4.832 8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.212 4.107 7.892 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.200 3.305 9.077 1.00 0.00 H new ATOM 0 HG LEU A 36 7.132 3.168 6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.986 0.657 6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.368 1.442 7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.868 1.142 8.443 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.040 1.864 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.807 2.262 7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.785 3.554 6.596 1.00 0.00 H new ATOM 555 N GLU A 37 8.004 6.364 9.372 1.00 0.00 N ATOM 556 CA GLU A 37 8.672 7.201 10.369 1.00 0.00 C ATOM 557 C GLU A 37 8.115 8.640 10.465 1.00 0.00 C ATOM 558 O GLU A 37 8.321 9.334 11.457 1.00 0.00 O ATOM 559 CB GLU A 37 10.132 7.319 9.895 1.00 0.00 C ATOM 560 CG GLU A 37 10.960 6.028 9.804 1.00 0.00 C ATOM 561 CD GLU A 37 12.163 6.268 8.905 1.00 0.00 C ATOM 562 OE1 GLU A 37 12.801 7.337 9.028 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.310 5.532 7.908 1.00 0.00 O ATOM 0 H GLU A 37 8.640 6.098 8.620 1.00 0.00 H new ATOM 0 HA GLU A 37 8.533 6.741 11.348 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.128 7.785 8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.649 8.002 10.569 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.288 5.722 10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.349 5.217 9.406 1.00 0.00 H new ATOM 568 N GLU A 38 7.481 9.105 9.387 1.00 0.00 N ATOM 569 CA GLU A 38 7.144 10.499 9.098 1.00 0.00 C ATOM 570 C GLU A 38 5.641 10.796 9.243 1.00 0.00 C ATOM 571 O GLU A 38 5.226 11.879 9.650 1.00 0.00 O ATOM 572 CB GLU A 38 7.619 10.760 7.649 1.00 0.00 C ATOM 573 CG GLU A 38 8.981 10.089 7.358 1.00 0.00 C ATOM 574 CD GLU A 38 9.522 10.228 5.944 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.842 10.861 5.111 1.00 0.00 O ATOM 576 OE2 GLU A 38 10.597 9.621 5.720 1.00 0.00 O ATOM 0 H GLU A 38 7.170 8.477 8.646 1.00 0.00 H new ATOM 0 HA GLU A 38 7.633 11.157 9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.873 10.384 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.701 11.834 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.718 10.502 8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.893 9.027 7.586 1.00 0.00 H new ATOM 581 N HIS A 39 4.829 9.822 8.842 1.00 0.00 N ATOM 582 CA HIS A 39 3.387 9.888 8.661 1.00 0.00 C ATOM 583 C HIS A 39 2.590 10.290 9.916 1.00 0.00 C ATOM 584 O HIS A 39 2.566 9.541 10.897 1.00 0.00 O ATOM 585 CB HIS A 39 2.936 8.503 8.185 1.00 0.00 C ATOM 586 CG HIS A 39 1.444 8.297 8.163 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.777 7.352 8.906 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.527 8.927 7.360 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.512 7.399 8.526 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.720 8.335 7.575 1.00 0.00 N ATOM 0 H HIS A 39 5.193 8.896 8.619 1.00 0.00 H new ATOM 0 HA HIS A 39 3.181 10.678 7.939 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.327 8.334 7.181 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.383 7.749 8.832 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.182 6.734 9.610 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.733 9.740 6.680 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.287 6.765 8.932 1.00 0.00 H new ATOM 597 N PRO A 40 1.843 11.411 9.880 1.00 0.00 N ATOM 598 CA PRO A 40 0.876 11.712 10.923 1.00 0.00 C ATOM 599 C PRO A 40 -0.205 10.627 10.845 1.00 0.00 C ATOM 600 O PRO A 40 -0.848 10.457 9.814 1.00 0.00 O ATOM 601 CB PRO A 40 0.352 13.113 10.615 1.00 0.00 C ATOM 602 CG PRO A 40 0.495 13.209 9.097 1.00 0.00 C ATOM 603 CD PRO A 40 1.724 12.360 8.783 1.00 0.00 C ATOM 0 HA PRO A 40 1.276 11.709 11.937 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.684 13.235 10.931 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.933 13.882 11.124 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.392 12.830 8.589 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.631 14.241 8.774 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.609 11.843 7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.617 12.980 8.704 1.00 0.00 H new ATOM 608 N GLY A 41 -0.347 9.853 11.919 1.00 0.00 N ATOM 609 CA GLY A 41 -1.101 8.600 11.934 1.00 0.00 C ATOM 610 C GLY A 41 -0.241 7.490 12.551 1.00 0.00 C ATOM 611 O GLY A 41 -0.774 6.578 13.178 1.00 0.00 O ATOM 0 H GLY A 41 0.067 10.084 12.822 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.020 8.723 12.507 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.392 8.327 10.920 1.00 0.00 H new ATOM 615 N GLY A 42 1.088 7.586 12.389 1.00 0.00 N ATOM 616 CA GLY A 42 2.070 6.681 12.974 1.00 0.00 C ATOM 617 C GLY A 42 2.585 5.693 11.932 1.00 0.00 C ATOM 618 O GLY A 42 1.985 5.538 10.860 1.00 0.00 O ATOM 0 H GLY A 42 1.515 8.323 11.827 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.903 7.255 13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.621 6.138 13.806 1.00 0.00 H new ATOM 622 N GLU A 43 3.679 5.004 12.253 1.00 0.00 N ATOM 623 CA GLU A 43 4.192 3.921 11.444 1.00 0.00 C ATOM 624 C GLU A 43 3.277 2.732 11.556 1.00 0.00 C ATOM 625 O GLU A 43 2.849 2.142 10.561 1.00 0.00 O ATOM 626 CB GLU A 43 5.569 3.408 11.918 1.00 0.00 C ATOM 627 CG GLU A 43 5.998 3.689 13.369 1.00 0.00 C ATOM 628 CD GLU A 43 6.444 5.124 13.611 1.00 0.00 C ATOM 629 OE1 GLU A 43 5.549 5.937 13.929 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.663 5.363 13.478 1.00 0.00 O ATOM 0 H GLU A 43 4.232 5.190 13.090 1.00 0.00 H new ATOM 0 HA GLU A 43 4.268 4.322 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.589 2.328 11.770 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.326 3.835 11.260 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.166 3.460 14.035 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.813 3.016 13.634 1.00 0.00 H new ATOM 635 N GLU A 44 3.050 2.315 12.798 1.00 0.00 N ATOM 636 CA GLU A 44 2.450 1.028 13.001 1.00 0.00 C ATOM 637 C GLU A 44 1.026 0.997 12.507 1.00 0.00 C ATOM 638 O GLU A 44 0.556 -0.044 12.096 1.00 0.00 O ATOM 639 CB GLU A 44 2.562 0.412 14.392 1.00 0.00 C ATOM 640 CG GLU A 44 2.090 1.297 15.559 1.00 0.00 C ATOM 641 CD GLU A 44 2.995 2.484 15.850 1.00 0.00 C ATOM 642 OE1 GLU A 44 2.805 3.507 15.156 1.00 0.00 O ATOM 643 OE2 GLU A 44 3.860 2.331 16.736 1.00 0.00 O ATOM 0 H GLU A 44 3.269 2.839 13.645 1.00 0.00 H new ATOM 0 HA GLU A 44 3.075 0.376 12.390 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.985 -0.513 14.406 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.603 0.141 14.565 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.088 1.665 15.339 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.014 0.684 16.457 1.00 0.00 H new ATOM 648 N HIS A 45 0.350 2.136 12.466 1.00 0.00 N ATOM 649 CA HIS A 45 -0.963 2.192 11.863 1.00 0.00 C ATOM 650 C HIS A 45 -0.942 1.893 10.356 1.00 0.00 C ATOM 651 O HIS A 45 -1.921 1.379 9.819 1.00 0.00 O ATOM 652 CB HIS A 45 -1.577 3.544 12.207 1.00 0.00 C ATOM 653 CG HIS A 45 -3.076 3.575 12.064 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.865 2.653 11.407 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.908 4.499 12.633 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.142 3.047 11.547 1.00 0.00 C ATOM 657 NE2 HIS A 45 -5.218 4.174 12.277 1.00 0.00 N ATOM 0 H HIS A 45 0.689 3.022 12.840 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.591 1.401 12.272 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.312 3.805 13.232 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.142 4.307 11.561 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.539 1.826 10.908 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.605 5.333 13.249 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.993 2.529 11.130 1.00 0.00 H new ATOM 664 N LEU A 46 0.186 2.146 9.682 1.00 0.00 N ATOM 665 CA LEU A 46 0.394 1.709 8.305 1.00 0.00 C ATOM 666 C LEU A 46 0.846 0.254 8.277 1.00 0.00 C ATOM 667 O LEU A 46 0.471 -0.510 7.394 1.00 0.00 O ATOM 668 CB LEU A 46 1.461 2.578 7.614 1.00 0.00 C ATOM 669 CG LEU A 46 1.146 4.077 7.581 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.304 4.844 6.938 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.114 4.333 6.765 1.00 0.00 C ATOM 0 H LEU A 46 0.975 2.658 10.078 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.552 1.811 7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.414 2.432 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.590 2.225 6.591 1.00 0.00 H new ATOM 0 HG LEU A 46 0.998 4.416 8.606 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.070 5.908 6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.213 4.683 7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.455 4.488 5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.327 5.402 6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.035 3.978 5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.953 3.803 7.215 1.00 0.00 H new ATOM 682 N ARG A 47 1.666 -0.125 9.251 1.00 0.00 N ATOM 683 CA ARG A 47 2.331 -1.421 9.287 1.00 0.00 C ATOM 684 C ARG A 47 1.306 -2.525 9.562 1.00 0.00 C ATOM 685 O ARG A 47 1.286 -3.566 8.916 1.00 0.00 O ATOM 686 CB ARG A 47 3.419 -1.315 10.351 1.00 0.00 C ATOM 687 CG ARG A 47 4.514 -2.376 10.232 1.00 0.00 C ATOM 688 CD ARG A 47 5.424 -2.053 9.035 1.00 0.00 C ATOM 689 NE ARG A 47 6.854 -2.128 9.391 1.00 0.00 N ATOM 690 CZ ARG A 47 7.546 -1.281 10.162 1.00 0.00 C ATOM 691 NH1 ARG A 47 6.939 -0.252 10.740 1.00 0.00 N ATOM 692 NH2 ARG A 47 8.847 -1.450 10.366 1.00 0.00 N ATOM 0 H ARG A 47 1.890 0.469 10.049 1.00 0.00 H new ATOM 0 HA ARG A 47 2.792 -1.687 8.335 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.877 -0.328 10.290 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.958 -1.393 11.336 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.102 -2.409 11.149 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.066 -3.361 10.105 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.216 -2.750 8.223 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.195 -1.054 8.665 1.00 0.00 H new ATOM 0 HE ARG A 47 7.375 -2.916 9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.940 -0.104 10.598 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.472 0.390 11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.334 -2.235 9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.360 -0.795 10.956 1.00 0.00 H new ATOM 703 N GLU A 48 0.430 -2.228 10.515 1.00 0.00 N ATOM 704 CA GLU A 48 -0.823 -2.922 10.819 1.00 0.00 C ATOM 705 C GLU A 48 -1.563 -3.333 9.536 1.00 0.00 C ATOM 706 O GLU A 48 -1.897 -4.499 9.337 1.00 0.00 O ATOM 707 CB GLU A 48 -1.680 -1.929 11.624 1.00 0.00 C ATOM 708 CG GLU A 48 -3.143 -2.341 11.879 1.00 0.00 C ATOM 709 CD GLU A 48 -4.041 -1.113 11.992 1.00 0.00 C ATOM 710 OE1 GLU A 48 -4.529 -0.675 10.925 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.204 -0.622 13.127 1.00 0.00 O ATOM 0 H GLU A 48 0.585 -1.439 11.143 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.627 -3.838 11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.198 -1.764 12.588 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.680 -0.973 11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.492 -2.979 11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.206 -2.928 12.795 1.00 0.00 H new ATOM 716 N GLN A 49 -1.823 -2.349 8.672 1.00 0.00 N ATOM 717 CA GLN A 49 -2.535 -2.539 7.413 1.00 0.00 C ATOM 718 C GLN A 49 -1.674 -3.262 6.372 1.00 0.00 C ATOM 719 O GLN A 49 -2.170 -4.026 5.549 1.00 0.00 O ATOM 720 CB GLN A 49 -2.886 -1.162 6.836 1.00 0.00 C ATOM 721 CG GLN A 49 -4.098 -0.436 7.423 1.00 0.00 C ATOM 722 CD GLN A 49 -5.334 -1.317 7.532 1.00 0.00 C ATOM 723 OE1 GLN A 49 -5.963 -1.649 6.540 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.718 -1.701 8.740 1.00 0.00 N ATOM 0 H GLN A 49 -1.539 -1.383 8.833 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.421 -3.139 7.621 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.017 -0.516 6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.051 -1.279 5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.842 -0.058 8.413 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.331 0.429 6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.183 -1.416 9.560 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.549 -2.282 8.850 1.00 0.00 H new ATOM 731 N ALA A 50 -0.387 -2.922 6.362 1.00 0.00 N ATOM 732 CA ALA A 50 0.554 -3.282 5.315 1.00 0.00 C ATOM 733 C ALA A 50 0.545 -4.756 4.892 1.00 0.00 C ATOM 734 O ALA A 50 0.381 -5.685 5.684 1.00 0.00 O ATOM 735 CB ALA A 50 1.973 -2.903 5.742 1.00 0.00 C ATOM 0 H ALA A 50 0.039 -2.371 7.108 1.00 0.00 H new ATOM 0 HA ALA A 50 0.223 -2.720 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.675 -3.175 4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.025 -1.829 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.232 -3.435 6.658 1.00 0.00 H new ATOM 741 N GLY A 51 0.803 -4.946 3.602 1.00 0.00 N ATOM 742 CA GLY A 51 0.830 -6.236 2.923 1.00 0.00 C ATOM 743 C GLY A 51 -0.360 -6.410 1.973 1.00 0.00 C ATOM 744 O GLY A 51 -0.504 -7.454 1.335 1.00 0.00 O ATOM 0 H GLY A 51 1.008 -4.169 2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.759 -6.331 2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.823 -7.036 3.664 1.00 0.00 H new ATOM 748 N GLY A 52 -1.201 -5.374 1.870 1.00 0.00 N ATOM 749 CA GLY A 52 -2.254 -5.248 0.878 1.00 0.00 C ATOM 750 C GLY A 52 -3.401 -4.369 1.369 1.00 0.00 C ATOM 751 O GLY A 52 -3.159 -3.433 2.127 1.00 0.00 O ATOM 0 H GLY A 52 -1.158 -4.575 2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.840 -4.826 -0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.637 -6.237 0.628 1.00 0.00 H new ATOM 755 N ASP A 53 -4.604 -4.612 0.834 1.00 0.00 N ATOM 756 CA ASP A 53 -5.887 -4.011 1.179 1.00 0.00 C ATOM 757 C ASP A 53 -5.891 -3.257 2.503 1.00 0.00 C ATOM 758 O ASP A 53 -6.003 -3.804 3.598 1.00 0.00 O ATOM 759 CB ASP A 53 -7.082 -4.952 1.035 1.00 0.00 C ATOM 760 CG ASP A 53 -8.392 -4.156 1.122 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.321 -2.903 1.236 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.448 -4.814 1.050 1.00 0.00 O ATOM 0 H ASP A 53 -4.707 -5.295 0.083 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.023 -3.250 0.411 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.029 -5.477 0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.055 -5.710 1.818 1.00 0.00 H new ATOM 766 N ALA A 54 -5.787 -1.957 2.309 1.00 0.00 N ATOM 767 CA ALA A 54 -5.919 -0.925 3.301 1.00 0.00 C ATOM 768 C ALA A 54 -6.818 0.162 2.722 1.00 0.00 C ATOM 769 O ALA A 54 -6.807 1.309 3.161 1.00 0.00 O ATOM 770 CB ALA A 54 -4.488 -0.506 3.584 1.00 0.00 C ATOM 0 H ALA A 54 -5.594 -1.574 1.384 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.392 -1.213 4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.482 0.284 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.924 -1.363 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.028 -0.138 2.667 1.00 0.00 H new ATOM 776 N THR A 55 -7.625 -0.231 1.729 1.00 0.00 N ATOM 777 CA THR A 55 -8.493 0.644 0.967 1.00 0.00 C ATOM 778 C THR A 55 -9.644 1.080 1.857 1.00 0.00 C ATOM 779 O THR A 55 -9.934 2.270 1.967 1.00 0.00 O ATOM 780 CB THR A 55 -8.970 -0.136 -0.265 1.00 0.00 C ATOM 781 OG1 THR A 55 -7.882 -0.430 -1.116 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.001 0.643 -1.082 1.00 0.00 C ATOM 0 H THR A 55 -7.686 -1.205 1.431 1.00 0.00 H new ATOM 0 HA THR A 55 -7.980 1.545 0.630 1.00 0.00 H new ATOM 0 HB THR A 55 -9.429 -1.050 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.067 -0.532 -0.582 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.307 0.049 -1.943 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.871 0.857 -0.461 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.561 1.579 -1.425 1.00 0.00 H new ATOM 790 N GLU A 56 -10.249 0.110 2.546 1.00 0.00 N ATOM 791 CA GLU A 56 -11.241 0.387 3.565 1.00 0.00 C ATOM 792 C GLU A 56 -10.687 1.321 4.642 1.00 0.00 C ATOM 793 O GLU A 56 -11.239 2.400 4.834 1.00 0.00 O ATOM 794 CB GLU A 56 -11.780 -0.938 4.118 1.00 0.00 C ATOM 795 CG GLU A 56 -12.928 -0.709 5.112 1.00 0.00 C ATOM 796 CD GLU A 56 -13.554 -2.020 5.571 1.00 0.00 C ATOM 797 OE1 GLU A 56 -12.970 -2.631 6.492 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.594 -2.387 4.984 1.00 0.00 O ATOM 0 H GLU A 56 -10.060 -0.883 2.408 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.082 0.925 3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.129 -1.561 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.974 -1.482 4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.554 -0.163 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.692 -0.086 4.647 1.00 0.00 H new ATOM 803 N ASN A 57 -9.562 0.985 5.295 1.00 0.00 N ATOM 804 CA ASN A 57 -9.047 1.867 6.347 1.00 0.00 C ATOM 805 C ASN A 57 -8.767 3.278 5.789 1.00 0.00 C ATOM 806 O ASN A 57 -9.159 4.285 6.372 1.00 0.00 O ATOM 807 CB ASN A 57 -7.815 1.282 7.072 1.00 0.00 C ATOM 808 CG ASN A 57 -7.833 1.681 8.547 1.00 0.00 C ATOM 809 OD1 ASN A 57 -8.145 2.810 8.896 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.473 0.774 9.444 1.00 0.00 N ATOM 0 H ASN A 57 -9.013 0.143 5.121 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.827 1.949 7.104 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.812 0.196 6.981 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.901 1.643 6.601 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.455 1.016 10.435 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.214 -0.166 9.144 1.00 0.00 H new ATOM 816 N PHE A 58 -8.131 3.338 4.612 1.00 0.00 N ATOM 817 CA PHE A 58 -7.741 4.594 3.961 1.00 0.00 C ATOM 818 C PHE A 58 -8.906 5.455 3.431 1.00 0.00 C ATOM 819 O PHE A 58 -8.658 6.604 3.058 1.00 0.00 O ATOM 820 CB PHE A 58 -6.745 4.267 2.842 1.00 0.00 C ATOM 821 CG PHE A 58 -6.162 5.452 2.091 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.223 6.297 2.711 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.436 5.605 0.721 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.501 7.228 1.941 1.00 0.00 C ATOM 825 CE2 PHE A 58 -5.654 6.470 -0.064 1.00 0.00 C ATOM 826 CZ PHE A 58 -4.692 7.295 0.549 1.00 0.00 C ATOM 0 H PHE A 58 -7.870 2.508 4.080 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.287 5.218 4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.922 3.697 3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.241 3.616 2.122 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.057 6.231 3.776 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.250 5.056 0.270 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.798 7.893 2.420 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.791 6.502 -1.135 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.103 7.976 -0.047 1.00 0.00 H new ATOM 835 N GLU A 59 -10.137 4.922 3.362 1.00 0.00 N ATOM 836 CA GLU A 59 -11.367 5.618 2.971 1.00 0.00 C ATOM 837 C GLU A 59 -12.323 5.839 4.167 1.00 0.00 C ATOM 838 O GLU A 59 -12.998 6.863 4.231 1.00 0.00 O ATOM 839 CB GLU A 59 -12.027 4.922 1.773 1.00 0.00 C ATOM 840 CG GLU A 59 -12.959 5.884 0.995 1.00 0.00 C ATOM 841 CD GLU A 59 -12.243 6.884 0.083 1.00 0.00 C ATOM 842 OE1 GLU A 59 -11.645 7.857 0.603 1.00 0.00 O ATOM 843 OE2 GLU A 59 -12.258 6.646 -1.141 1.00 0.00 O ATOM 0 H GLU A 59 -10.306 3.942 3.590 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.100 6.621 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.256 4.541 1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.600 4.063 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.645 5.291 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.564 6.438 1.712 1.00 0.00 H new ATOM 848 N ASP A 60 -12.363 4.918 5.141 1.00 0.00 N ATOM 849 CA ASP A 60 -13.026 5.127 6.427 1.00 0.00 C ATOM 850 C ASP A 60 -12.333 6.306 7.129 1.00 0.00 C ATOM 851 O ASP A 60 -12.924 7.373 7.313 1.00 0.00 O ATOM 852 CB ASP A 60 -12.971 3.826 7.235 1.00 0.00 C ATOM 853 CG ASP A 60 -13.621 4.004 8.596 1.00 0.00 C ATOM 854 OD1 ASP A 60 -12.877 4.380 9.526 1.00 0.00 O ATOM 855 OD2 ASP A 60 -14.849 3.785 8.674 1.00 0.00 O ATOM 0 H ASP A 60 -11.930 3.999 5.052 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.080 5.379 6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.478 3.031 6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.934 3.515 7.361 1.00 0.00 H new ATOM 859 N VAL A 61 -11.030 6.168 7.401 1.00 0.00 N ATOM 860 CA VAL A 61 -10.185 7.301 7.762 1.00 0.00 C ATOM 861 C VAL A 61 -9.845 7.964 6.419 1.00 0.00 C ATOM 862 O VAL A 61 -8.708 7.933 5.956 1.00 0.00 O ATOM 863 CB VAL A 61 -8.936 6.827 8.535 1.00 0.00 C ATOM 864 CG1 VAL A 61 -8.114 8.026 9.032 1.00 0.00 C ATOM 865 CG2 VAL A 61 -9.329 5.973 9.748 1.00 0.00 C ATOM 0 H VAL A 61 -10.540 5.274 7.376 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.673 8.007 8.434 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.340 6.230 7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.239 7.668 9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.793 8.625 8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.726 8.637 9.695 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.430 5.653 10.274 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.953 6.562 10.421 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.884 5.097 9.412 1.00 0.00 H new ATOM 875 N GLY A 62 -10.864 8.498 5.740 1.00 0.00 N ATOM 876 CA GLY A 62 -10.762 8.901 4.345 1.00 0.00 C ATOM 877 C GLY A 62 -9.873 10.114 4.087 1.00 0.00 C ATOM 878 O GLY A 62 -10.233 11.251 4.380 1.00 0.00 O ATOM 0 H GLY A 62 -11.784 8.661 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.380 8.060 3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.763 9.117 3.971 1.00 0.00 H new ATOM 882 N HIS A 63 -8.690 9.850 3.527 1.00 0.00 N ATOM 883 CA HIS A 63 -7.642 10.847 3.339 1.00 0.00 C ATOM 884 CB HIS A 63 -6.341 10.127 2.988 1.00 0.00 C ATOM 885 CG HIS A 63 -5.671 9.520 4.181 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.244 8.676 5.097 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.373 9.713 4.548 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.306 8.356 5.997 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.137 8.947 5.691 1.00 0.00 N ATOM 0 H HIS A 63 -8.433 8.923 3.188 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.550 9.345 2.258 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.658 10.832 2.514 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.211 8.351 5.093 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.656 10.345 4.045 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.466 7.713 6.850 1.00 0.00 H new ATOM 896 N SER A 64 -7.315 13.080 2.444 1.00 0.00 N ATOM 897 CA SER A 64 -7.491 14.256 1.600 1.00 0.00 C ATOM 898 C SER A 64 -7.103 14.036 0.136 1.00 0.00 C ATOM 899 O SER A 64 -6.349 13.126 -0.218 1.00 0.00 O ATOM 900 CB SER A 64 -6.616 15.389 2.148 1.00 0.00 C ATOM 901 OG SER A 64 -5.255 15.029 2.016 1.00 0.00 O ATOM 0 HA SER A 64 -8.555 14.494 1.623 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.815 16.313 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.855 15.576 3.195 1.00 0.00 H new ATOM 0 HG SER A 64 -4.698 15.671 2.503 1.00 0.00 H new ATOM 906 N THR A 65 -7.576 14.937 -0.726 1.00 0.00 N ATOM 907 CA THR A 65 -7.111 15.041 -2.102 1.00 0.00 C ATOM 908 C THR A 65 -5.598 15.130 -2.142 1.00 0.00 C ATOM 909 O THR A 65 -4.947 14.348 -2.815 1.00 0.00 O ATOM 910 CB THR A 65 -7.699 16.310 -2.738 1.00 0.00 C ATOM 911 OG1 THR A 65 -7.887 17.324 -1.757 1.00 0.00 O ATOM 912 CG2 THR A 65 -9.074 16.003 -3.329 1.00 0.00 C ATOM 0 H THR A 65 -8.297 15.617 -0.484 1.00 0.00 H new ATOM 0 HA THR A 65 -7.433 14.156 -2.651 1.00 0.00 H new ATOM 0 HB THR A 65 -7.003 16.647 -3.506 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.037 17.785 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.487 16.906 -3.779 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.978 15.229 -4.091 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.740 15.654 -2.540 1.00 0.00 H new ATOM 920 N ASP A 66 -5.058 16.068 -1.384 1.00 0.00 N ATOM 921 CA ASP A 66 -3.661 16.363 -1.170 1.00 0.00 C ATOM 922 C ASP A 66 -2.863 15.090 -0.841 1.00 0.00 C ATOM 923 O ASP A 66 -1.814 14.821 -1.422 1.00 0.00 O ATOM 924 CB ASP A 66 -3.650 17.400 -0.039 1.00 0.00 C ATOM 925 CG ASP A 66 -4.521 18.618 -0.356 1.00 0.00 C ATOM 926 OD1 ASP A 66 -5.747 18.405 -0.536 1.00 0.00 O ATOM 927 OD2 ASP A 66 -3.945 19.723 -0.428 1.00 0.00 O ATOM 0 H ASP A 66 -5.652 16.704 -0.851 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.171 16.758 -2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.003 16.934 0.881 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.626 17.726 0.141 1.00 0.00 H new ATOM 931 N ALA A 67 -3.399 14.261 0.055 1.00 0.00 N ATOM 932 CA ALA A 67 -2.813 12.968 0.410 1.00 0.00 C ATOM 933 C ALA A 67 -2.895 11.956 -0.748 1.00 0.00 C ATOM 934 O ALA A 67 -1.925 11.265 -1.064 1.00 0.00 O ATOM 935 CB ALA A 67 -3.504 12.440 1.666 1.00 0.00 C ATOM 0 H ALA A 67 -4.260 14.470 0.560 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.751 13.108 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.075 11.476 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.361 13.146 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.570 12.320 1.472 1.00 0.00 H new ATOM 941 N ARG A 68 -4.045 11.859 -1.413 1.00 0.00 N ATOM 942 CA ARG A 68 -4.185 11.014 -2.599 1.00 0.00 C ATOM 943 C ARG A 68 -3.237 11.465 -3.732 1.00 0.00 C ATOM 944 O ARG A 68 -2.599 10.634 -4.379 1.00 0.00 O ATOM 945 CB ARG A 68 -5.671 10.952 -3.008 1.00 0.00 C ATOM 946 CG ARG A 68 -6.468 9.857 -2.264 1.00 0.00 C ATOM 947 CD ARG A 68 -6.907 10.239 -0.840 1.00 0.00 C ATOM 948 NE ARG A 68 -7.457 9.074 -0.112 1.00 0.00 N ATOM 949 CZ ARG A 68 -8.732 8.766 0.157 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.735 9.612 0.001 1.00 0.00 N ATOM 951 NH2 ARG A 68 -9.044 7.584 0.652 1.00 0.00 N ATOM 0 H ARG A 68 -4.896 12.356 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.873 9.995 -2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.133 11.920 -2.817 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.737 10.773 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.354 9.610 -2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.859 8.955 -2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.056 10.643 -0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.659 11.027 -0.889 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.765 8.410 0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.557 10.556 -0.341 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.687 9.321 0.223 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.312 6.897 0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.018 7.357 0.854 1.00 0.00 H new ATOM 962 N GLU A 69 -3.060 12.773 -3.917 1.00 0.00 N ATOM 963 CA GLU A 69 -2.091 13.372 -4.824 1.00 0.00 C ATOM 964 C GLU A 69 -0.664 13.022 -4.407 1.00 0.00 C ATOM 965 O GLU A 69 0.140 12.595 -5.235 1.00 0.00 O ATOM 966 CB GLU A 69 -2.306 14.890 -4.853 1.00 0.00 C ATOM 967 CG GLU A 69 -3.488 15.280 -5.755 1.00 0.00 C ATOM 968 CD GLU A 69 -3.236 14.949 -7.218 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.113 15.209 -7.705 1.00 0.00 O ATOM 970 OE2 GLU A 69 -4.103 14.312 -7.857 1.00 0.00 O ATOM 0 H GLU A 69 -3.612 13.470 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.238 12.972 -5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.486 15.251 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.399 15.379 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.385 14.761 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.681 16.348 -5.655 1.00 0.00 H new ATOM 975 N LEU A 70 -0.356 13.146 -3.112 1.00 0.00 N ATOM 976 CA LEU A 70 0.922 12.700 -2.574 1.00 0.00 C ATOM 977 C LEU A 70 1.203 11.270 -3.006 1.00 0.00 C ATOM 978 O LEU A 70 2.270 10.950 -3.525 1.00 0.00 O ATOM 979 CB LEU A 70 0.981 12.742 -1.029 1.00 0.00 C ATOM 980 CG LEU A 70 2.351 12.290 -0.482 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.543 12.830 -1.266 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.569 12.726 0.965 1.00 0.00 C ATOM 0 H LEU A 70 -0.982 13.555 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 70 1.667 13.392 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.773 13.756 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.200 12.101 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 70 2.309 11.205 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.468 12.467 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.483 12.490 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.531 13.920 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.547 12.384 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.522 13.813 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.794 12.292 1.596 1.00 0.00 H new ATOM 993 N SER A 71 0.220 10.392 -2.824 1.00 0.00 N ATOM 994 CA SER A 71 0.476 8.976 -2.906 1.00 0.00 C ATOM 995 C SER A 71 0.932 8.480 -4.282 1.00 0.00 C ATOM 996 O SER A 71 1.455 7.375 -4.407 1.00 0.00 O ATOM 997 CB SER A 71 -0.747 8.233 -2.388 1.00 0.00 C ATOM 998 OG SER A 71 -1.760 8.203 -3.377 1.00 0.00 O ATOM 0 H SER A 71 -0.748 10.642 -2.621 1.00 0.00 H new ATOM 0 HA SER A 71 1.338 8.761 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.472 7.216 -2.109 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.122 8.720 -1.488 1.00 0.00 H new ATOM 0 HG SER A 71 -1.975 9.118 -3.653 1.00 0.00 H new ATOM 1003 N LYS A 72 0.832 9.324 -5.307 1.00 0.00 N ATOM 1004 CA LYS A 72 1.480 9.059 -6.594 1.00 0.00 C ATOM 1005 C LYS A 72 2.974 8.749 -6.390 1.00 0.00 C ATOM 1006 O LYS A 72 3.516 7.844 -7.019 1.00 0.00 O ATOM 1007 CB LYS A 72 1.285 10.257 -7.530 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.207 10.561 -7.662 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.462 11.746 -8.600 1.00 0.00 C ATOM 1010 CE LYS A 72 -1.974 11.934 -8.775 1.00 0.00 C ATOM 1011 NZ LYS A 72 -2.302 13.252 -9.355 1.00 0.00 N ATOM 0 H LYS A 72 0.308 10.199 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 72 1.019 8.185 -7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.811 11.128 -7.139 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.711 10.040 -8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.726 9.680 -8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.623 10.779 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.016 12.652 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.009 11.568 -9.567 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.366 11.147 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.467 11.830 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.304 13.469 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.708 13.983 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.125 13.234 -10.380 1.00 0.00 H new ATOM 1021 N THR A 73 3.611 9.458 -5.450 1.00 0.00 N ATOM 1022 CA THR A 73 5.011 9.215 -5.046 1.00 0.00 C ATOM 1023 C THR A 73 5.253 7.982 -4.174 1.00 0.00 C ATOM 1024 O THR A 73 6.400 7.655 -3.875 1.00 0.00 O ATOM 1025 CB THR A 73 5.640 10.448 -4.371 1.00 0.00 C ATOM 1026 OG1 THR A 73 7.034 10.387 -4.580 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.439 10.518 -2.848 1.00 0.00 C ATOM 0 H THR A 73 3.170 10.224 -4.941 1.00 0.00 H new ATOM 0 HA THR A 73 5.504 9.009 -5.996 1.00 0.00 H new ATOM 0 HB THR A 73 5.151 11.317 -4.811 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.336 9.458 -4.505 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.915 11.418 -2.459 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.373 10.545 -2.623 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.887 9.641 -2.381 1.00 0.00 H new ATOM 1035 N PHE A 74 4.177 7.339 -3.735 1.00 0.00 N ATOM 1036 CA PHE A 74 4.139 6.182 -2.850 1.00 0.00 C ATOM 1037 C PHE A 74 3.721 4.920 -3.604 1.00 0.00 C ATOM 1038 O PHE A 74 3.983 3.803 -3.163 1.00 0.00 O ATOM 1039 CB PHE A 74 3.128 6.520 -1.766 1.00 0.00 C ATOM 1040 CG PHE A 74 3.568 7.513 -0.707 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.910 7.923 -0.541 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.595 7.955 0.198 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.248 8.828 0.480 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.939 8.835 1.230 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.245 9.325 1.325 1.00 0.00 C ATOM 0 H PHE A 74 3.240 7.635 -4.009 1.00 0.00 H new ATOM 0 HA PHE A 74 5.124 5.976 -2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.232 6.911 -2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.843 5.594 -1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.676 7.541 -1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.575 7.615 0.099 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.274 9.139 0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.196 9.136 1.953 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.482 10.088 2.051 1.00 0.00 H new ATOM 1054 N ILE A 75 3.030 5.095 -4.726 1.00 0.00 N ATOM 1055 CA ILE A 75 2.558 3.996 -5.537 1.00 0.00 C ATOM 1056 C ILE A 75 3.686 3.309 -6.297 1.00 0.00 C ATOM 1057 O ILE A 75 4.645 3.933 -6.745 1.00 0.00 O ATOM 1058 CB ILE A 75 1.483 4.528 -6.502 1.00 0.00 C ATOM 1059 CG1 ILE A 75 0.155 4.467 -5.744 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.403 3.796 -7.852 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.011 4.804 -6.653 1.00 0.00 C ATOM 0 H ILE A 75 2.784 6.014 -5.094 1.00 0.00 H new ATOM 0 HA ILE A 75 2.131 3.236 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 75 1.745 5.546 -6.791 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.017 3.470 -5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.179 5.163 -4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.617 4.242 -8.462 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.358 3.883 -8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.177 2.743 -7.682 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.941 4.752 -6.086 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.884 5.811 -7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.048 4.091 -7.477 1.00 0.00 H new ATOM 1072 N ILE A 76 3.493 2.008 -6.498 1.00 0.00 N ATOM 1073 CA ILE A 76 4.290 1.178 -7.391 1.00 0.00 C ATOM 1074 C ILE A 76 3.437 0.582 -8.527 1.00 0.00 C ATOM 1075 O ILE A 76 3.952 0.321 -9.611 1.00 0.00 O ATOM 1076 CB ILE A 76 5.031 0.108 -6.586 1.00 0.00 C ATOM 1077 CG1 ILE A 76 4.025 -0.807 -5.880 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.986 0.767 -5.579 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.764 -1.908 -5.119 1.00 0.00 C ATOM 0 H ILE A 76 2.753 1.487 -6.027 1.00 0.00 H new ATOM 0 HA ILE A 76 5.038 1.804 -7.878 1.00 0.00 H new ATOM 0 HB ILE A 76 5.628 -0.502 -7.264 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.413 -0.225 -5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.348 -1.250 -6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.507 -0.005 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.713 1.378 -6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.416 1.396 -4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.041 -2.554 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.357 -2.499 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.422 -1.458 -4.376 1.00 0.00 H new ATOM 1090 N GLY A 77 2.127 0.385 -8.308 1.00 0.00 N ATOM 1091 CA GLY A 77 1.215 0.038 -9.393 1.00 0.00 C ATOM 1092 C GLY A 77 -0.128 -0.527 -8.933 1.00 0.00 C ATOM 1093 O GLY A 77 -0.949 0.229 -8.430 1.00 0.00 O ATOM 0 H GLY A 77 1.684 0.461 -7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.034 0.927 -9.997 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.701 -0.693 -10.040 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.359 -1.832 -9.116 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.641 -2.512 -8.896 1.00 0.00 C ATOM 1099 C GLU A 78 -1.465 -3.917 -8.315 1.00 0.00 C ATOM 1100 O GLU A 78 -0.385 -4.494 -8.377 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.394 -2.626 -10.219 1.00 0.00 C ATOM 1102 CG GLU A 78 -3.166 -1.372 -10.664 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.263 -1.729 -11.661 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -5.260 -2.324 -11.188 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -4.077 -1.461 -12.869 1.00 0.00 O ATOM 0 H GLU A 78 0.371 -2.469 -9.434 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.200 -1.914 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.679 -2.885 -11.000 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.098 -3.455 -10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.605 -0.884 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.477 -0.658 -11.116 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.560 -4.486 -7.808 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.562 -5.819 -7.194 1.00 0.00 C ATOM 1112 C LEU A 79 -2.703 -7.002 -8.119 1.00 0.00 C ATOM 1113 O LEU A 79 -2.862 -8.109 -7.633 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.561 -5.887 -6.042 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.951 -6.445 -6.427 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -5.261 -7.577 -5.454 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -5.999 -5.344 -6.374 1.00 0.00 C ATOM 0 H LEU A 79 -3.475 -4.035 -7.811 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.545 -5.927 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.141 -6.508 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.688 -4.886 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.958 -6.824 -7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.237 -8.002 -5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.498 -8.350 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.270 -7.189 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.971 -5.754 -6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.048 -4.937 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.730 -4.551 -7.072 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.652 -6.738 -9.420 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.818 -7.687 -10.507 1.00 0.00 C ATOM 1130 C HIS A 80 -4.278 -7.906 -10.864 1.00 0.00 C ATOM 1131 O HIS A 80 -5.168 -7.834 -10.008 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.989 -8.936 -10.265 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.691 -9.849 -11.411 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -2.238 -11.067 -11.704 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.725 -9.593 -12.337 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.698 -11.474 -12.867 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.760 -10.610 -13.291 1.00 0.00 N ATOM 0 H HIS A 80 -2.482 -5.792 -9.762 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.408 -7.260 -11.423 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.036 -8.620 -9.842 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.498 -9.524 -9.501 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.050 -8.750 -12.333 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.981 -12.375 -13.390 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.192 -10.683 -14.135 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.567 -8.097 -12.156 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.895 -8.464 -12.546 1.00 0.00 C ATOM 1146 C PRO A 81 -6.156 -9.949 -12.371 1.00 0.00 C ATOM 1147 O PRO A 81 -7.295 -10.358 -12.575 1.00 0.00 O ATOM 1148 CB PRO A 81 -6.025 -8.055 -13.993 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.607 -7.886 -14.534 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.699 -8.109 -13.331 1.00 0.00 C ATOM 0 HA PRO A 81 -6.633 -7.967 -11.916 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.568 -8.811 -14.561 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.586 -7.125 -14.083 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.398 -8.606 -15.326 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.462 -6.893 -14.960 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.170 -9.058 -13.414 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.943 -7.327 -13.264 1.00 0.00 H new ATOM 1155 N ASP A 82 -5.151 -10.726 -11.949 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.456 -12.127 -11.596 1.00 0.00 C ATOM 1157 C ASP A 82 -5.605 -12.279 -10.080 1.00 0.00 C ATOM 1158 O ASP A 82 -5.227 -13.290 -9.494 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.490 -13.108 -12.288 1.00 0.00 C ATOM 1160 CG ASP A 82 -5.061 -14.510 -12.477 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -6.260 -14.610 -12.811 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -4.257 -15.457 -12.345 1.00 0.00 O ATOM 0 H ASP A 82 -4.178 -10.439 -11.846 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.430 -12.409 -11.996 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.215 -12.704 -13.262 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.574 -13.176 -11.701 1.00 0.00 H new ATOM 1166 N ASP A 83 -6.130 -11.217 -9.460 1.00 0.00 N ATOM 1167 CA ASP A 83 -6.155 -11.058 -8.030 1.00 0.00 C ATOM 1168 C ASP A 83 -7.351 -10.153 -7.654 1.00 0.00 C ATOM 1169 O ASP A 83 -8.276 -10.597 -6.978 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.774 -10.472 -7.725 1.00 0.00 C ATOM 1171 CG ASP A 83 -4.220 -10.952 -6.402 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -5.020 -11.044 -5.449 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -3.001 -11.236 -6.372 1.00 0.00 O ATOM 0 H ASP A 83 -6.554 -10.437 -9.962 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.309 -11.966 -7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.084 -10.743 -8.524 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.839 -9.384 -7.715 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.363 -8.932 -8.215 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.460 -7.950 -8.182 1.00 0.00 C ATOM 1179 C ARG A 84 -9.229 -7.816 -6.849 1.00 0.00 C ATOM 1180 O ARG A 84 -10.450 -8.096 -6.851 1.00 0.00 O ATOM 1181 CB ARG A 84 -9.438 -8.208 -9.339 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.914 -8.077 -10.755 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.596 -6.615 -11.143 1.00 0.00 C ATOM 1184 NE ARG A 84 -7.292 -6.178 -10.609 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.748 -4.960 -10.662 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -7.347 -3.929 -11.233 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.543 -4.745 -10.167 1.00 0.00 N ATOM 1188 OXT ARG A 84 -8.616 -7.327 -5.875 1.00 0.00 O ATOM 0 H ARG A 84 -6.558 -8.583 -8.735 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.959 -6.988 -8.295 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.836 -9.216 -9.222 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.276 -7.520 -9.228 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.013 -8.681 -10.861 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.651 -8.480 -11.449 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.595 -6.519 -12.229 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.381 -5.960 -10.766 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.737 -6.895 -10.141 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.267 -4.045 -11.659 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.890 -3.017 -11.248 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.022 -5.512 -9.741 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.133 -3.812 -10.211 1.00 0.00 H new