USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=20 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 HD1:sc= -0.437 X(o=0.15,f=0.24) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.589 K(o=0.15,f=-3!) USER MOD Set 2.1: A 30 TYR OH : rot 8:sc= 1.15 USER MOD Set 2.2: A 71 SER OG : rot -87:sc= 2.03 USER MOD Set 3.1: A 15 HIS : no HD1:sc= 0.357 K(o=1.2,f=-6.4!) USER MOD Set 3.2: A 20 SER OG : rot 157:sc= 0.887 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 16:sc= 0.931 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 13 GLN : amide:sc= 0.574 K(o=0.57,f=-0.15) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0.545 (180deg=-0.0817) USER MOD Single : A 16 ASN : amide:sc= -0.383 K(o=-0.38,f=-1.7) USER MOD Single : A 17 ASN : amide:sc= 0.203 K(o=0.2,f=-9.4!) USER MOD Single : A 18 SER OG : rot -53:sc= 0.336 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -128:sc= -0.429 USER MOD Single : A 26 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.46) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= 1.16 (180deg=1.02) USER MOD Single : A 33 THR OG1 : rot 97:sc= 0.832 USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= -0.872 (180deg=-0.93) USER MOD Single : A 45 HIS : no HE2:sc= 0.602 K(o=0.6,f=-3.6!) USER MOD Single : A 49 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.7!) USER MOD Single : A 55 THR OG1 : rot 73:sc= 1.68 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 42:sc= 0.284 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0174 USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= -0.0951 (180deg=-1.16) USER MOD Single : A 73 THR OG1 : rot -38:sc= 0.743 USER MOD Single : A 80 HIS : no HD1:sc= -0.38 K(o=-0.38,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 3.193 -2.776 -14.161 1.00 0.00 N ATOM 30 CA LYS A 5 3.827 -4.044 -13.798 1.00 0.00 C ATOM 31 C LYS A 5 2.868 -5.051 -13.178 1.00 0.00 C ATOM 32 O LYS A 5 2.921 -6.220 -13.547 1.00 0.00 O ATOM 33 CB LYS A 5 5.051 -3.759 -12.911 1.00 0.00 C ATOM 34 CG LYS A 5 5.635 -5.043 -12.304 1.00 0.00 C ATOM 35 CD LYS A 5 7.000 -4.824 -11.639 1.00 0.00 C ATOM 36 CE LYS A 5 8.146 -4.744 -12.654 1.00 0.00 C ATOM 37 NZ LYS A 5 9.449 -4.601 -11.968 1.00 0.00 N ATOM 0 HA LYS A 5 4.160 -4.530 -14.715 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.817 -3.256 -13.501 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.767 -3.076 -12.110 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.937 -5.440 -11.567 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.735 -5.796 -13.086 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.972 -3.904 -11.055 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.194 -5.638 -10.941 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.153 -5.641 -13.273 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.987 -3.897 -13.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.210 -4.549 -12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.447 -3.732 -11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.607 -5.422 -11.349 1.00 0.00 H new ATOM 47 N TYR A 6 2.041 -4.593 -12.235 1.00 0.00 N ATOM 48 CA TYR A 6 1.204 -5.432 -11.382 1.00 0.00 C ATOM 49 C TYR A 6 2.041 -6.279 -10.424 1.00 0.00 C ATOM 50 O TYR A 6 3.106 -6.789 -10.765 1.00 0.00 O ATOM 51 CB TYR A 6 0.250 -6.323 -12.186 1.00 0.00 C ATOM 52 CG TYR A 6 -0.619 -5.611 -13.212 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.822 -5.002 -12.821 1.00 0.00 C ATOM 54 CD2 TYR A 6 -0.234 -5.567 -14.566 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.599 -4.290 -13.749 1.00 0.00 C ATOM 56 CE2 TYR A 6 -1.012 -4.855 -15.497 1.00 0.00 C ATOM 57 CZ TYR A 6 -2.182 -4.205 -15.085 1.00 0.00 C ATOM 58 OH TYR A 6 -2.889 -3.453 -15.971 1.00 0.00 O ATOM 0 H TYR A 6 1.934 -3.597 -12.040 1.00 0.00 H new ATOM 0 HA TYR A 6 0.595 -4.747 -10.793 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.840 -7.081 -12.701 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.402 -6.847 -11.487 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.153 -5.082 -11.796 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.659 -6.080 -14.890 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.514 -3.810 -13.435 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.706 -4.810 -16.532 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.464 -3.501 -16.853 1.00 0.00 H new ATOM 67 N TYR A 7 1.548 -6.419 -9.201 1.00 0.00 N ATOM 68 CA TYR A 7 2.166 -7.249 -8.189 1.00 0.00 C ATOM 69 C TYR A 7 1.076 -8.108 -7.576 1.00 0.00 C ATOM 70 O TYR A 7 0.146 -7.592 -6.965 1.00 0.00 O ATOM 71 CB TYR A 7 2.874 -6.389 -7.145 1.00 0.00 C ATOM 72 CG TYR A 7 3.730 -5.292 -7.717 1.00 0.00 C ATOM 73 CD1 TYR A 7 3.135 -4.081 -8.110 1.00 0.00 C ATOM 74 CD2 TYR A 7 5.102 -5.498 -7.911 1.00 0.00 C ATOM 75 CE1 TYR A 7 3.909 -3.111 -8.757 1.00 0.00 C ATOM 76 CE2 TYR A 7 5.900 -4.447 -8.379 1.00 0.00 C ATOM 77 CZ TYR A 7 5.302 -3.245 -8.804 1.00 0.00 C ATOM 78 OH TYR A 7 6.047 -2.227 -9.317 1.00 0.00 O ATOM 0 H TYR A 7 0.698 -5.952 -8.885 1.00 0.00 H new ATOM 0 HA TYR A 7 2.932 -7.890 -8.626 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.125 -5.944 -6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.497 -7.033 -6.524 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.088 -3.900 -7.914 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.542 -6.462 -7.701 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.432 -2.260 -9.220 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.974 -4.558 -8.414 1.00 0.00 H new ATOM 0 HH TYR A 7 5.503 -1.413 -9.361 1.00 0.00 H new ATOM 87 N THR A 8 1.172 -9.418 -7.768 1.00 0.00 N ATOM 88 CA THR A 8 0.222 -10.336 -7.167 1.00 0.00 C ATOM 89 C THR A 8 0.377 -10.242 -5.654 1.00 0.00 C ATOM 90 O THR A 8 1.475 -10.022 -5.143 1.00 0.00 O ATOM 91 CB THR A 8 0.473 -11.759 -7.678 1.00 0.00 C ATOM 92 OG1 THR A 8 1.861 -12.032 -7.666 1.00 0.00 O ATOM 93 CG2 THR A 8 -0.023 -11.893 -9.118 1.00 0.00 C ATOM 0 H THR A 8 1.895 -9.863 -8.333 1.00 0.00 H new ATOM 0 HA THR A 8 -0.801 -10.076 -7.440 1.00 0.00 H new ATOM 0 HB THR A 8 -0.058 -12.457 -7.031 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.018 -12.943 -7.992 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.159 -12.907 -9.473 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.092 -11.682 -9.156 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.509 -11.185 -9.753 1.00 0.00 H new ATOM 101 N LEU A 9 -0.719 -10.413 -4.931 1.00 0.00 N ATOM 102 CA LEU A 9 -0.798 -10.432 -3.483 1.00 0.00 C ATOM 103 C LEU A 9 0.222 -11.374 -2.858 1.00 0.00 C ATOM 104 O LEU A 9 0.626 -11.144 -1.733 1.00 0.00 O ATOM 105 CB LEU A 9 -2.181 -10.914 -3.139 1.00 0.00 C ATOM 106 CG LEU A 9 -2.645 -10.772 -1.681 1.00 0.00 C ATOM 107 CD1 LEU A 9 -2.817 -9.309 -1.265 1.00 0.00 C ATOM 108 CD2 LEU A 9 -3.986 -11.498 -1.532 1.00 0.00 C ATOM 0 H LEU A 9 -1.630 -10.550 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.588 -9.435 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.890 -10.378 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.246 -11.968 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.881 -11.206 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.146 -9.262 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.866 -8.787 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.562 -8.834 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.335 -11.410 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.719 -11.050 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.860 -12.551 -1.784 1.00 0.00 H new ATOM 119 N GLU A 10 0.636 -12.439 -3.553 1.00 0.00 N ATOM 120 CA GLU A 10 1.807 -13.199 -3.107 1.00 0.00 C ATOM 121 C GLU A 10 2.970 -12.221 -2.855 1.00 0.00 C ATOM 122 O GLU A 10 3.567 -12.206 -1.781 1.00 0.00 O ATOM 123 CB GLU A 10 2.212 -14.313 -4.105 1.00 0.00 C ATOM 124 CG GLU A 10 3.745 -14.482 -4.019 1.00 0.00 C ATOM 125 CD GLU A 10 4.398 -15.767 -4.477 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.703 -16.651 -5.011 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.631 -15.789 -4.238 1.00 0.00 O ATOM 0 H GLU A 10 0.192 -12.787 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 10 1.550 -13.712 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.709 -15.248 -3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.912 -14.047 -5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.192 -13.670 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.029 -14.329 -2.978 1.00 0.00 H new ATOM 132 N GLU A 11 3.316 -11.416 -3.862 1.00 0.00 N ATOM 133 CA GLU A 11 4.368 -10.423 -3.764 1.00 0.00 C ATOM 134 C GLU A 11 4.018 -9.440 -2.670 1.00 0.00 C ATOM 135 O GLU A 11 4.757 -9.322 -1.698 1.00 0.00 O ATOM 136 CB GLU A 11 4.641 -9.750 -5.130 1.00 0.00 C ATOM 137 CG GLU A 11 6.111 -9.311 -5.258 1.00 0.00 C ATOM 138 CD GLU A 11 7.077 -10.435 -5.629 1.00 0.00 C ATOM 139 OE1 GLU A 11 6.904 -11.559 -5.103 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.985 -10.151 -6.436 1.00 0.00 O ATOM 0 H GLU A 11 2.863 -11.442 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 11 5.307 -10.905 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.396 -10.444 -5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.990 -8.884 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.179 -8.527 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.430 -8.872 -4.313 1.00 0.00 H new ATOM 145 N ILE A 12 2.840 -8.823 -2.764 1.00 0.00 N ATOM 146 CA ILE A 12 2.409 -7.872 -1.747 1.00 0.00 C ATOM 147 C ILE A 12 2.569 -8.430 -0.325 1.00 0.00 C ATOM 148 O ILE A 12 3.119 -7.760 0.549 1.00 0.00 O ATOM 149 CB ILE A 12 0.990 -7.327 -2.015 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.638 -7.061 -3.495 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.806 -6.006 -1.270 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.823 -6.628 -3.668 1.00 0.00 C ATOM 0 H ILE A 12 2.176 -8.964 -3.525 1.00 0.00 H new ATOM 0 HA ILE A 12 3.080 -7.016 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 12 0.327 -8.121 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.295 -6.287 -3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.821 -7.963 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.196 -5.619 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.937 -6.170 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.545 -5.285 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.028 -6.451 -4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.482 -7.413 -3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.000 -5.711 -3.106 1.00 0.00 H new ATOM 163 N GLN A 13 2.199 -9.694 -0.112 1.00 0.00 N ATOM 164 CA GLN A 13 2.316 -10.316 1.207 1.00 0.00 C ATOM 165 C GLN A 13 3.737 -10.365 1.766 1.00 0.00 C ATOM 166 O GLN A 13 3.915 -10.435 2.982 1.00 0.00 O ATOM 167 CB GLN A 13 1.772 -11.742 1.174 1.00 0.00 C ATOM 168 CG GLN A 13 0.249 -11.778 1.381 1.00 0.00 C ATOM 169 CD GLN A 13 -0.191 -11.342 2.775 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.227 -12.141 3.702 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.553 -10.078 2.952 1.00 0.00 N ATOM 0 H GLN A 13 1.817 -10.305 -0.834 1.00 0.00 H new ATOM 0 HA GLN A 13 1.731 -9.675 1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.020 -12.203 0.218 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.258 -12.334 1.949 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.225 -11.132 0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.110 -12.790 1.196 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.518 -9.423 2.171 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.866 -9.761 3.869 1.00 0.00 H new ATOM 178 N LYS A 14 4.749 -10.368 0.900 1.00 0.00 N ATOM 179 CA LYS A 14 6.133 -10.433 1.339 1.00 0.00 C ATOM 180 C LYS A 14 6.630 -9.068 1.869 1.00 0.00 C ATOM 181 O LYS A 14 7.672 -9.005 2.521 1.00 0.00 O ATOM 182 CB LYS A 14 7.003 -10.967 0.180 1.00 0.00 C ATOM 183 CG LYS A 14 7.301 -12.483 0.238 1.00 0.00 C ATOM 184 CD LYS A 14 6.674 -13.280 -0.919 1.00 0.00 C ATOM 185 CE LYS A 14 7.354 -12.998 -2.270 1.00 0.00 C ATOM 186 NZ LYS A 14 6.529 -13.443 -3.415 1.00 0.00 N ATOM 0 H LYS A 14 4.631 -10.326 -0.112 1.00 0.00 H new ATOM 0 HA LYS A 14 6.213 -11.122 2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.503 -10.745 -0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.949 -10.425 0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.381 -12.633 0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.933 -12.881 1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.740 -14.345 -0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.614 -13.035 -0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.551 -11.930 -2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.319 -13.504 -2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.941 -13.085 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.503 -14.482 -3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.562 -13.075 -3.310 1.00 0.00 H new ATOM 196 N HIS A 15 5.904 -7.972 1.595 1.00 0.00 N ATOM 197 CA HIS A 15 6.322 -6.602 1.900 1.00 0.00 C ATOM 198 C HIS A 15 5.483 -5.953 3.011 1.00 0.00 C ATOM 199 O HIS A 15 4.520 -5.240 2.741 1.00 0.00 O ATOM 200 CB HIS A 15 6.222 -5.780 0.617 1.00 0.00 C ATOM 201 CG HIS A 15 7.161 -6.221 -0.479 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.504 -5.933 -0.616 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.790 -6.963 -1.564 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.922 -6.501 -1.760 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.917 -7.144 -2.371 1.00 0.00 N ATOM 0 H HIS A 15 4.990 -8.019 1.145 1.00 0.00 H new ATOM 0 HA HIS A 15 7.346 -6.631 2.271 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.199 -5.832 0.245 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.423 -4.735 0.853 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.799 -7.343 -1.764 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.933 -6.447 -2.137 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.965 -7.662 -3.249 1.00 0.00 H new ATOM 212 N ASN A 16 5.873 -6.158 4.272 1.00 0.00 N ATOM 213 CA ASN A 16 5.082 -5.733 5.430 1.00 0.00 C ATOM 214 C ASN A 16 5.841 -5.750 6.768 1.00 0.00 C ATOM 215 O ASN A 16 5.268 -6.135 7.783 1.00 0.00 O ATOM 216 CB ASN A 16 3.788 -6.565 5.501 1.00 0.00 C ATOM 217 CG ASN A 16 4.045 -8.064 5.386 1.00 0.00 C ATOM 218 OD1 ASN A 16 5.153 -8.549 5.593 1.00 0.00 O ATOM 219 ND2 ASN A 16 3.032 -8.813 4.985 1.00 0.00 N ATOM 0 H ASN A 16 6.746 -6.623 4.519 1.00 0.00 H new ATOM 0 HA ASN A 16 4.841 -4.682 5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.280 -6.359 6.443 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.116 -6.253 4.701 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.163 -9.814 4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.119 -8.390 4.819 1.00 0.00 H new ATOM 225 N ASN A 17 7.102 -5.297 6.813 1.00 0.00 N ATOM 226 CA ASN A 17 7.785 -5.041 8.088 1.00 0.00 C ATOM 227 C ASN A 17 9.036 -4.150 7.916 1.00 0.00 C ATOM 228 O ASN A 17 9.025 -3.213 7.122 1.00 0.00 O ATOM 229 CB ASN A 17 8.044 -6.347 8.876 1.00 0.00 C ATOM 230 CG ASN A 17 8.250 -6.086 10.370 1.00 0.00 C ATOM 231 OD1 ASN A 17 7.497 -5.356 11.012 1.00 0.00 O ATOM 232 ND2 ASN A 17 9.289 -6.667 10.951 1.00 0.00 N ATOM 0 H ASN A 17 7.666 -5.101 5.986 1.00 0.00 H new ATOM 0 HA ASN A 17 7.107 -4.456 8.710 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.202 -7.025 8.740 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.924 -6.846 8.471 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.472 -6.511 11.942 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.906 -7.270 10.407 1.00 0.00 H new ATOM 238 N SER A 18 10.150 -4.467 8.591 1.00 0.00 N ATOM 239 CA SER A 18 11.406 -3.702 8.539 1.00 0.00 C ATOM 240 C SER A 18 12.192 -4.257 7.356 1.00 0.00 C ATOM 241 O SER A 18 13.280 -4.818 7.491 1.00 0.00 O ATOM 242 CB SER A 18 12.160 -3.858 9.866 1.00 0.00 C ATOM 243 OG SER A 18 13.464 -3.324 9.750 1.00 0.00 O ATOM 0 H SER A 18 10.205 -5.281 9.203 1.00 0.00 H new ATOM 0 HA SER A 18 11.240 -2.633 8.404 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.619 -3.347 10.663 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.213 -4.911 10.141 1.00 0.00 H new ATOM 0 HG SER A 18 13.913 -3.722 8.975 1.00 0.00 H new ATOM 248 N LYS A 19 11.535 -4.166 6.207 1.00 0.00 N ATOM 249 CA LYS A 19 11.850 -4.885 4.992 1.00 0.00 C ATOM 250 C LYS A 19 11.300 -4.102 3.796 1.00 0.00 C ATOM 251 O LYS A 19 12.033 -3.659 2.914 1.00 0.00 O ATOM 252 CB LYS A 19 11.118 -6.238 5.134 1.00 0.00 C ATOM 253 CG LYS A 19 11.727 -7.256 6.104 1.00 0.00 C ATOM 254 CD LYS A 19 13.135 -7.679 5.662 1.00 0.00 C ATOM 255 CE LYS A 19 13.668 -8.811 6.546 1.00 0.00 C ATOM 256 NZ LYS A 19 15.052 -9.175 6.170 1.00 0.00 N ATOM 0 H LYS A 19 10.726 -3.554 6.098 1.00 0.00 H new ATOM 0 HA LYS A 19 12.921 -5.020 4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.094 -6.038 5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.063 -6.699 4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.772 -6.826 7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.084 -8.134 6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.112 -8.004 4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.809 -6.824 5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.641 -8.503 7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.021 -9.684 6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.388 -9.944 6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.071 -9.490 5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.671 -8.347 6.282 1.00 0.00 H new ATOM 266 N SER A 20 9.981 -3.927 3.805 1.00 0.00 N ATOM 267 CA SER A 20 9.199 -3.069 2.933 1.00 0.00 C ATOM 268 C SER A 20 7.830 -2.918 3.608 1.00 0.00 C ATOM 269 O SER A 20 7.528 -3.676 4.537 1.00 0.00 O ATOM 270 CB SER A 20 9.009 -3.706 1.553 1.00 0.00 C ATOM 271 OG SER A 20 10.193 -4.234 0.985 1.00 0.00 O ATOM 0 H SER A 20 9.391 -4.421 4.475 1.00 0.00 H new ATOM 0 HA SER A 20 9.702 -2.113 2.786 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.272 -4.505 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.597 -2.959 0.875 1.00 0.00 H new ATOM 0 HG SER A 20 9.961 -4.919 0.323 1.00 0.00 H new ATOM 276 N THR A 21 6.978 -1.998 3.156 1.00 0.00 N ATOM 277 CA THR A 21 5.615 -1.884 3.668 1.00 0.00 C ATOM 278 C THR A 21 4.629 -1.546 2.551 1.00 0.00 C ATOM 279 O THR A 21 4.346 -0.375 2.301 1.00 0.00 O ATOM 280 CB THR A 21 5.575 -0.880 4.829 1.00 0.00 C ATOM 281 OG1 THR A 21 6.615 -1.195 5.732 1.00 0.00 O ATOM 282 CG2 THR A 21 4.277 -0.997 5.619 1.00 0.00 C ATOM 0 H THR A 21 7.211 -1.318 2.432 1.00 0.00 H new ATOM 0 HA THR A 21 5.298 -2.849 4.062 1.00 0.00 H new ATOM 0 HB THR A 21 5.669 0.121 4.408 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.249 -1.272 6.638 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.280 -0.273 6.434 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.431 -0.799 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.190 -2.003 6.029 1.00 0.00 H new ATOM 290 N TRP A 22 4.124 -2.590 1.884 1.00 0.00 N ATOM 291 CA TRP A 22 3.134 -2.485 0.821 1.00 0.00 C ATOM 292 C TRP A 22 1.729 -2.286 1.335 1.00 0.00 C ATOM 293 O TRP A 22 1.446 -2.494 2.503 1.00 0.00 O ATOM 294 CB TRP A 22 3.286 -3.594 -0.226 1.00 0.00 C ATOM 295 CG TRP A 22 4.512 -3.530 -1.094 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.607 -2.771 -0.873 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.796 -4.263 -2.324 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.537 -2.986 -1.868 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.099 -3.914 -2.786 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.072 -5.164 -3.124 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.634 -4.453 -3.969 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.669 -5.842 -4.190 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.938 -5.466 -4.639 1.00 0.00 C ATOM 0 H TRP A 22 4.403 -3.552 2.078 1.00 0.00 H new ATOM 0 HA TRP A 22 3.345 -1.561 0.282 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.283 -4.554 0.290 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.408 -3.576 -0.872 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.735 -2.096 -0.040 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.440 -2.515 -1.918 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.028 -5.337 -2.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.574 -4.089 -4.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.149 -6.659 -4.668 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.378 -5.953 -5.496 1.00 0.00 H new ATOM 313 N LEU A 23 0.836 -1.846 0.462 1.00 0.00 N ATOM 314 CA LEU A 23 -0.564 -1.780 0.759 1.00 0.00 C ATOM 315 C LEU A 23 -1.375 -1.695 -0.521 1.00 0.00 C ATOM 316 O LEU A 23 -0.791 -1.640 -1.597 1.00 0.00 O ATOM 317 CB LEU A 23 -0.917 -0.681 1.766 1.00 0.00 C ATOM 318 CG LEU A 23 -0.091 0.492 2.298 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.884 1.789 2.015 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.032 0.453 3.839 1.00 0.00 C ATOM 0 H LEU A 23 1.076 -1.525 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.835 -2.709 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.812 -0.215 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.223 -1.223 2.661 1.00 0.00 H new ATOM 0 HG LEU A 23 0.898 0.446 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.321 2.647 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.042 1.892 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.848 1.744 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.559 1.294 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.042 0.518 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.429 -0.481 4.162 1.00 0.00 H new ATOM 331 N ILE A 24 -2.704 -1.701 -0.400 1.00 0.00 N ATOM 332 CA ILE A 24 -3.616 -1.531 -1.520 1.00 0.00 C ATOM 333 C ILE A 24 -4.643 -0.458 -1.193 1.00 0.00 C ATOM 334 O ILE A 24 -5.373 -0.576 -0.215 1.00 0.00 O ATOM 335 CB ILE A 24 -4.215 -2.888 -1.968 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.380 -3.362 -3.155 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.725 -2.878 -2.270 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.913 -2.776 -4.443 1.00 0.00 C ATOM 0 H ILE A 24 -3.178 -1.826 0.494 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.071 -1.171 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.158 -3.586 -1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.340 -3.067 -3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.398 -4.451 -3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.042 -3.876 -2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.273 -2.580 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.931 -2.171 -3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.307 -3.124 -5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.946 -3.093 -4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.871 -1.688 -4.392 1.00 0.00 H new ATOM 349 N LEU A 25 -4.664 0.610 -1.989 1.00 0.00 N ATOM 350 CA LEU A 25 -5.733 1.596 -1.929 1.00 0.00 C ATOM 351 C LEU A 25 -6.418 1.521 -3.301 1.00 0.00 C ATOM 352 O LEU A 25 -5.867 1.976 -4.302 1.00 0.00 O ATOM 353 CB LEU A 25 -5.241 3.000 -1.507 1.00 0.00 C ATOM 354 CG LEU A 25 -4.069 3.037 -0.510 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.637 4.477 -0.231 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.363 2.388 0.840 1.00 0.00 C ATOM 0 H LEU A 25 -3.947 0.812 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.455 1.380 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.945 3.544 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.081 3.540 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.284 2.461 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.808 4.477 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.321 4.949 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.474 5.033 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.482 2.460 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.199 2.901 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.618 1.339 0.691 1.00 0.00 H new ATOM 367 N HIS A 26 -7.580 0.866 -3.376 1.00 0.00 N ATOM 368 CA HIS A 26 -8.391 0.807 -4.599 1.00 0.00 C ATOM 369 C HIS A 26 -7.693 0.064 -5.768 1.00 0.00 C ATOM 370 O HIS A 26 -7.529 0.619 -6.854 1.00 0.00 O ATOM 371 CB HIS A 26 -8.814 2.237 -5.011 1.00 0.00 C ATOM 372 CG HIS A 26 -9.093 3.203 -3.880 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.303 3.407 -3.253 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.198 4.094 -3.345 1.00 0.00 C ATOM 375 CE1 HIS A 26 -10.129 4.392 -2.352 1.00 0.00 C ATOM 376 NE2 HIS A 26 -8.864 4.841 -2.375 1.00 0.00 N ATOM 0 H HIS A 26 -7.987 0.360 -2.589 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.278 0.216 -4.371 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.028 2.660 -5.637 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.709 2.165 -5.629 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.160 4.198 -3.626 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.902 4.770 -1.699 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.468 5.582 -1.797 1.00 0.00 H new ATOM 383 N TYR A 27 -7.235 -1.181 -5.561 1.00 0.00 N ATOM 384 CA TYR A 27 -6.485 -1.985 -6.538 1.00 0.00 C ATOM 385 C TYR A 27 -5.063 -1.511 -6.842 1.00 0.00 C ATOM 386 O TYR A 27 -4.301 -2.274 -7.439 1.00 0.00 O ATOM 387 CB TYR A 27 -7.183 -2.174 -7.881 1.00 0.00 C ATOM 388 CG TYR A 27 -8.650 -2.551 -7.833 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.032 -3.751 -7.204 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.602 -1.804 -8.549 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.355 -4.209 -7.297 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.926 -2.268 -8.645 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.301 -3.467 -8.019 1.00 0.00 C ATOM 394 OH TYR A 27 -12.570 -3.935 -8.157 1.00 0.00 O ATOM 0 H TYR A 27 -7.382 -1.672 -4.679 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.436 -2.932 -6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.087 -1.248 -8.449 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.650 -2.946 -8.437 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.303 -4.322 -6.647 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.317 -0.877 -9.024 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.644 -5.131 -6.814 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.656 -1.700 -9.202 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.098 -3.299 -8.684 1.00 0.00 H new ATOM 403 N LYS A 28 -4.694 -0.290 -6.452 1.00 0.00 N ATOM 404 CA LYS A 28 -3.352 0.225 -6.662 1.00 0.00 C ATOM 405 C LYS A 28 -2.464 -0.088 -5.469 1.00 0.00 C ATOM 406 O LYS A 28 -2.890 0.099 -4.336 1.00 0.00 O ATOM 407 CB LYS A 28 -3.416 1.706 -7.004 1.00 0.00 C ATOM 408 CG LYS A 28 -4.063 1.788 -8.386 1.00 0.00 C ATOM 409 CD LYS A 28 -4.033 3.217 -8.910 1.00 0.00 C ATOM 410 CE LYS A 28 -4.521 3.289 -10.364 1.00 0.00 C ATOM 411 NZ LYS A 28 -5.733 2.471 -10.585 1.00 0.00 N ATOM 0 H LYS A 28 -5.320 0.364 -5.983 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.891 -0.274 -7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.002 2.253 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.420 2.149 -7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.538 1.130 -9.079 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.093 1.437 -8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.660 3.850 -8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.018 3.609 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.732 4.326 -10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.728 2.948 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.290 2.879 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.456 1.499 -10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.307 2.459 -9.718 1.00 0.00 H new ATOM 421 N VAL A 29 -1.268 -0.624 -5.727 1.00 0.00 N ATOM 422 CA VAL A 29 -0.367 -1.136 -4.686 1.00 0.00 C ATOM 423 C VAL A 29 0.569 0.009 -4.236 1.00 0.00 C ATOM 424 O VAL A 29 1.032 0.777 -5.084 1.00 0.00 O ATOM 425 CB VAL A 29 0.488 -2.310 -5.186 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.482 -2.757 -4.112 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.359 -3.554 -5.395 1.00 0.00 C ATOM 0 H VAL A 29 -0.893 -0.716 -6.671 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.978 -1.498 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 29 0.965 -1.954 -6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.076 -3.589 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.141 -1.927 -3.858 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.938 -3.074 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.272 -4.369 -5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.825 -3.840 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.133 -3.347 -6.134 1.00 0.00 H new ATOM 437 N TYR A 30 0.890 0.099 -2.940 1.00 0.00 N ATOM 438 CA TYR A 30 1.548 1.224 -2.296 1.00 0.00 C ATOM 439 C TYR A 30 2.707 0.857 -1.370 1.00 0.00 C ATOM 440 O TYR A 30 2.421 0.322 -0.313 1.00 0.00 O ATOM 441 CB TYR A 30 0.457 1.787 -1.404 1.00 0.00 C ATOM 442 CG TYR A 30 -0.490 2.693 -2.115 1.00 0.00 C ATOM 443 CD1 TYR A 30 -0.215 4.057 -2.235 1.00 0.00 C ATOM 444 CD2 TYR A 30 -1.601 2.137 -2.748 1.00 0.00 C ATOM 445 CE1 TYR A 30 -1.117 4.878 -2.918 1.00 0.00 C ATOM 446 CE2 TYR A 30 -2.484 2.956 -3.462 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.262 4.337 -3.521 1.00 0.00 C ATOM 448 OH TYR A 30 -3.142 5.140 -4.178 1.00 0.00 O ATOM 0 H TYR A 30 0.684 -0.655 -2.284 1.00 0.00 H new ATOM 0 HA TYR A 30 1.968 1.878 -3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.104 0.961 -0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.918 2.332 -0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.684 4.473 -1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.781 1.074 -2.687 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.930 5.940 -2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.335 2.523 -3.967 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.771 6.044 -4.248 1.00 0.00 H new ATOM 457 N ASP A 31 3.951 1.250 -1.662 1.00 0.00 N ATOM 458 CA ASP A 31 5.133 0.925 -0.832 1.00 0.00 C ATOM 459 C ASP A 31 5.588 2.150 -0.031 1.00 0.00 C ATOM 460 O ASP A 31 6.108 3.109 -0.602 1.00 0.00 O ATOM 461 CB ASP A 31 6.311 0.402 -1.667 1.00 0.00 C ATOM 462 CG ASP A 31 7.474 -0.115 -0.808 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.613 0.320 0.362 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.188 -1.000 -1.324 1.00 0.00 O ATOM 0 H ASP A 31 4.176 1.807 -2.486 1.00 0.00 H new ATOM 0 HA ASP A 31 4.823 0.132 -0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.961 -0.401 -2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.672 1.200 -2.315 1.00 0.00 H new ATOM 468 N LEU A 32 5.406 2.111 1.290 1.00 0.00 N ATOM 469 CA LEU A 32 5.498 3.312 2.123 1.00 0.00 C ATOM 470 C LEU A 32 6.544 3.262 3.234 1.00 0.00 C ATOM 471 O LEU A 32 6.518 4.101 4.132 1.00 0.00 O ATOM 472 CB LEU A 32 4.099 3.565 2.687 1.00 0.00 C ATOM 473 CG LEU A 32 3.038 3.359 1.603 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.679 3.700 2.144 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.167 4.282 0.405 1.00 0.00 C ATOM 0 H LEU A 32 5.193 1.258 1.808 1.00 0.00 H new ATOM 0 HA LEU A 32 5.846 4.131 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.910 2.890 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.036 4.581 3.077 1.00 0.00 H new ATOM 0 HG LEU A 32 3.174 2.320 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.930 3.551 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.453 3.056 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.666 4.742 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.374 4.063 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.084 5.318 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.136 4.128 -0.070 1.00 0.00 H new ATOM 486 N THR A 33 7.479 2.317 3.146 1.00 0.00 N ATOM 487 CA THR A 33 8.489 1.956 4.147 1.00 0.00 C ATOM 488 C THR A 33 9.240 3.114 4.829 1.00 0.00 C ATOM 489 O THR A 33 9.676 2.961 5.963 1.00 0.00 O ATOM 490 CB THR A 33 9.462 0.975 3.470 1.00 0.00 C ATOM 491 OG1 THR A 33 8.730 0.035 2.701 1.00 0.00 O ATOM 492 CG2 THR A 33 10.278 0.188 4.499 1.00 0.00 C ATOM 0 H THR A 33 7.558 1.738 2.310 1.00 0.00 H new ATOM 0 HA THR A 33 7.955 1.510 4.986 1.00 0.00 H new ATOM 0 HB THR A 33 10.135 1.565 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.714 0.321 1.764 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.954 -0.494 3.983 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.858 0.880 5.110 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.604 -0.383 5.138 1.00 0.00 H new ATOM 500 N LYS A 34 9.377 4.274 4.179 1.00 0.00 N ATOM 501 CA LYS A 34 9.888 5.494 4.819 1.00 0.00 C ATOM 502 C LYS A 34 8.809 6.453 5.276 1.00 0.00 C ATOM 503 O LYS A 34 8.977 7.151 6.271 1.00 0.00 O ATOM 504 CB LYS A 34 10.761 6.255 3.827 1.00 0.00 C ATOM 505 CG LYS A 34 12.028 5.444 3.582 1.00 0.00 C ATOM 506 CD LYS A 34 13.239 6.345 3.277 1.00 0.00 C ATOM 507 CE LYS A 34 13.990 6.791 4.550 1.00 0.00 C ATOM 508 NZ LYS A 34 13.083 7.348 5.575 1.00 0.00 N ATOM 0 H LYS A 34 9.137 4.395 3.195 1.00 0.00 H new ATOM 0 HA LYS A 34 10.435 5.155 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.224 6.412 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.011 7.240 4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.242 4.833 4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.866 4.760 2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.928 5.810 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.902 7.227 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.527 5.940 4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.736 7.540 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.637 7.648 6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.576 8.167 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.397 6.622 5.863 1.00 0.00 H new ATOM 518 N PHE A 35 7.711 6.513 4.532 1.00 0.00 N ATOM 519 CA PHE A 35 6.599 7.380 4.913 1.00 0.00 C ATOM 520 C PHE A 35 6.156 7.068 6.343 1.00 0.00 C ATOM 521 O PHE A 35 5.821 7.971 7.103 1.00 0.00 O ATOM 522 CB PHE A 35 5.446 7.285 3.922 1.00 0.00 C ATOM 523 CG PHE A 35 4.291 8.208 4.259 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.529 9.569 4.535 1.00 0.00 C ATOM 525 CD2 PHE A 35 2.975 7.715 4.267 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.455 10.452 4.720 1.00 0.00 C ATOM 527 CE2 PHE A 35 1.901 8.595 4.474 1.00 0.00 C ATOM 528 CZ PHE A 35 2.141 9.971 4.646 1.00 0.00 C ATOM 0 H PHE A 35 7.566 5.981 3.674 1.00 0.00 H new ATOM 0 HA PHE A 35 6.942 8.414 4.884 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.813 7.523 2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.085 6.257 3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.543 9.934 4.604 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.790 6.662 4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.640 11.497 4.918 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.890 8.216 4.501 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.311 10.658 4.721 1.00 0.00 H new ATOM 537 N LEU A 36 6.242 5.782 6.702 1.00 0.00 N ATOM 538 CA LEU A 36 6.179 5.255 8.061 1.00 0.00 C ATOM 539 C LEU A 36 6.695 6.269 9.103 1.00 0.00 C ATOM 540 O LEU A 36 5.978 6.633 10.033 1.00 0.00 O ATOM 541 CB LEU A 36 7.059 3.990 8.084 1.00 0.00 C ATOM 542 CG LEU A 36 6.637 2.836 7.174 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.274 1.551 7.720 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.134 2.594 7.028 1.00 0.00 C ATOM 0 H LEU A 36 6.364 5.043 6.009 1.00 0.00 H new ATOM 0 HA LEU A 36 5.144 5.039 8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.075 4.279 7.816 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.093 3.619 9.108 1.00 0.00 H new ATOM 0 HG LEU A 36 6.977 3.117 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.990 0.708 7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.359 1.655 7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.926 1.376 8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.965 1.751 6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.704 2.374 8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.660 3.485 6.616 1.00 0.00 H new ATOM 555 N GLU A 37 7.933 6.746 8.914 1.00 0.00 N ATOM 556 CA GLU A 37 8.654 7.651 9.808 1.00 0.00 C ATOM 557 C GLU A 37 7.949 9.012 9.992 1.00 0.00 C ATOM 558 O GLU A 37 8.075 9.640 11.040 1.00 0.00 O ATOM 559 CB GLU A 37 10.065 7.851 9.222 1.00 0.00 C ATOM 560 CG GLU A 37 10.912 6.562 9.183 1.00 0.00 C ATOM 561 CD GLU A 37 12.046 6.639 8.171 1.00 0.00 C ATOM 562 OE1 GLU A 37 12.782 7.650 8.119 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.136 5.731 7.317 1.00 0.00 O ATOM 0 H GLU A 37 8.482 6.496 8.092 1.00 0.00 H new ATOM 0 HA GLU A 37 8.693 7.204 10.801 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.975 8.246 8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.590 8.602 9.812 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.326 6.373 10.174 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.269 5.716 8.940 1.00 0.00 H new ATOM 568 N GLU A 38 7.250 9.481 8.953 1.00 0.00 N ATOM 569 CA GLU A 38 6.686 10.827 8.836 1.00 0.00 C ATOM 570 C GLU A 38 5.178 10.861 9.154 1.00 0.00 C ATOM 571 O GLU A 38 4.679 11.753 9.837 1.00 0.00 O ATOM 572 CB GLU A 38 6.950 11.274 7.387 1.00 0.00 C ATOM 573 CG GLU A 38 6.572 12.738 7.100 1.00 0.00 C ATOM 574 CD GLU A 38 7.568 13.736 7.677 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.726 13.707 7.207 1.00 0.00 O ATOM 576 OE2 GLU A 38 7.147 14.522 8.551 1.00 0.00 O ATOM 0 H GLU A 38 7.054 8.905 8.134 1.00 0.00 H new ATOM 0 HA GLU A 38 7.151 11.497 9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.007 11.133 7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.391 10.627 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.503 12.885 6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.584 12.940 7.513 1.00 0.00 H new ATOM 581 N HIS A 39 4.435 9.894 8.613 1.00 0.00 N ATOM 582 CA HIS A 39 2.980 9.862 8.578 1.00 0.00 C ATOM 583 C HIS A 39 2.268 10.041 9.933 1.00 0.00 C ATOM 584 O HIS A 39 2.364 9.161 10.796 1.00 0.00 O ATOM 585 CB HIS A 39 2.560 8.529 7.962 1.00 0.00 C ATOM 586 CG HIS A 39 1.067 8.312 7.930 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.414 7.298 8.579 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.134 9.026 7.223 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.881 7.378 8.232 1.00 0.00 C ATOM 590 NE2 HIS A 39 -1.106 8.405 7.386 1.00 0.00 N ATOM 0 H HIS A 39 4.854 9.077 8.169 1.00 0.00 H new ATOM 0 HA HIS A 39 2.671 10.726 7.990 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.947 8.472 6.945 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.023 7.718 8.525 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.325 9.915 6.641 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.647 6.704 8.586 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.992 8.671 6.957 1.00 0.00 H new ATOM 597 N PRO A 40 1.457 11.105 10.106 1.00 0.00 N ATOM 598 CA PRO A 40 0.562 11.203 11.247 1.00 0.00 C ATOM 599 C PRO A 40 -0.430 10.041 11.126 1.00 0.00 C ATOM 600 O PRO A 40 -1.171 9.931 10.154 1.00 0.00 O ATOM 601 CB PRO A 40 -0.092 12.581 11.158 1.00 0.00 C ATOM 602 CG PRO A 40 -0.067 12.877 9.661 1.00 0.00 C ATOM 603 CD PRO A 40 1.200 12.187 9.166 1.00 0.00 C ATOM 0 HA PRO A 40 1.047 11.123 12.220 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.109 12.571 11.551 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.462 13.328 11.726 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.954 12.486 9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.039 13.949 9.467 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.066 11.803 8.155 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.037 12.884 9.134 1.00 0.00 H new ATOM 608 N GLY A 41 -0.374 9.135 12.097 1.00 0.00 N ATOM 609 CA GLY A 41 -0.992 7.814 12.038 1.00 0.00 C ATOM 610 C GLY A 41 -0.014 6.801 12.644 1.00 0.00 C ATOM 611 O GLY A 41 -0.413 5.937 13.420 1.00 0.00 O ATOM 0 H GLY A 41 0.118 9.305 12.974 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.933 7.810 12.588 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.224 7.548 11.007 1.00 0.00 H new ATOM 615 N GLY A 42 1.280 6.938 12.318 1.00 0.00 N ATOM 616 CA GLY A 42 2.362 6.114 12.847 1.00 0.00 C ATOM 617 C GLY A 42 2.837 5.083 11.825 1.00 0.00 C ATOM 618 O GLY A 42 2.229 4.920 10.763 1.00 0.00 O ATOM 0 H GLY A 42 1.605 7.647 11.660 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.197 6.752 13.136 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.024 5.604 13.749 1.00 0.00 H new ATOM 622 N GLU A 43 3.907 4.355 12.157 1.00 0.00 N ATOM 623 CA GLU A 43 4.454 3.337 11.283 1.00 0.00 C ATOM 624 C GLU A 43 3.547 2.114 11.369 1.00 0.00 C ATOM 625 O GLU A 43 2.983 1.627 10.384 1.00 0.00 O ATOM 626 CB GLU A 43 5.871 2.932 11.746 1.00 0.00 C ATOM 627 CG GLU A 43 6.841 4.081 12.052 1.00 0.00 C ATOM 628 CD GLU A 43 8.196 3.552 12.498 1.00 0.00 C ATOM 629 OE1 GLU A 43 8.834 2.873 11.664 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.550 3.812 13.667 1.00 0.00 O ATOM 0 H GLU A 43 4.410 4.461 13.038 1.00 0.00 H new ATOM 0 HA GLU A 43 4.512 3.721 10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.776 2.317 12.641 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.317 2.304 10.974 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.964 4.703 11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.421 4.717 12.831 1.00 0.00 H new ATOM 635 N GLU A 44 3.380 1.634 12.605 1.00 0.00 N ATOM 636 CA GLU A 44 2.762 0.357 12.855 1.00 0.00 C ATOM 637 C GLU A 44 1.299 0.355 12.424 1.00 0.00 C ATOM 638 O GLU A 44 0.783 -0.664 11.990 1.00 0.00 O ATOM 639 CB GLU A 44 2.992 -0.126 14.291 1.00 0.00 C ATOM 640 CG GLU A 44 4.499 -0.241 14.597 1.00 0.00 C ATOM 641 CD GLU A 44 4.827 -1.374 15.561 1.00 0.00 C ATOM 642 OE1 GLU A 44 4.771 -1.132 16.782 1.00 0.00 O ATOM 643 OE2 GLU A 44 5.102 -2.480 15.036 1.00 0.00 O ATOM 0 H GLU A 44 3.673 2.128 13.448 1.00 0.00 H new ATOM 0 HA GLU A 44 3.257 -0.385 12.229 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.526 0.567 14.991 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.513 -1.094 14.435 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.042 -0.396 13.665 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.851 0.700 15.019 1.00 0.00 H new ATOM 648 N HIS A 45 0.658 1.521 12.452 1.00 0.00 N ATOM 649 CA HIS A 45 -0.695 1.723 11.965 1.00 0.00 C ATOM 650 C HIS A 45 -0.846 1.513 10.452 1.00 0.00 C ATOM 651 O HIS A 45 -1.886 1.035 9.997 1.00 0.00 O ATOM 652 CB HIS A 45 -1.114 3.130 12.395 1.00 0.00 C ATOM 653 CG HIS A 45 -2.581 3.453 12.218 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.447 2.900 11.298 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.298 4.353 12.961 1.00 0.00 C ATOM 656 CE1 HIS A 45 -4.655 3.455 11.485 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.613 4.347 12.488 1.00 0.00 N ATOM 0 H HIS A 45 1.081 2.371 12.825 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.351 0.968 12.398 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -0.854 3.263 13.445 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.529 3.854 11.828 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.212 2.195 10.600 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.915 4.959 13.769 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.537 3.217 10.909 1.00 0.00 H new ATOM 664 N LEU A 46 0.176 1.848 9.663 1.00 0.00 N ATOM 665 CA LEU A 46 0.186 1.500 8.244 1.00 0.00 C ATOM 666 C LEU A 46 0.554 0.025 8.108 1.00 0.00 C ATOM 667 O LEU A 46 0.039 -0.687 7.252 1.00 0.00 O ATOM 668 CB LEU A 46 1.206 2.378 7.499 1.00 0.00 C ATOM 669 CG LEU A 46 0.833 3.868 7.441 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.033 4.669 6.924 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.357 4.109 6.508 1.00 0.00 C ATOM 0 H LEU A 46 1.001 2.356 9.981 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.798 1.673 7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.177 2.277 7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.316 2.003 6.482 1.00 0.00 H new ATOM 0 HG LEU A 46 0.558 4.188 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.773 5.727 6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.880 4.530 7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.301 4.320 5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.595 5.172 6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.103 3.776 5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.221 3.550 6.868 1.00 0.00 H new ATOM 682 N ARG A 47 1.440 -0.442 8.983 1.00 0.00 N ATOM 683 CA ARG A 47 2.059 -1.753 8.870 1.00 0.00 C ATOM 684 C ARG A 47 1.068 -2.880 9.161 1.00 0.00 C ATOM 685 O ARG A 47 1.059 -3.917 8.509 1.00 0.00 O ATOM 686 CB ARG A 47 3.246 -1.764 9.820 1.00 0.00 C ATOM 687 CG ARG A 47 4.262 -2.858 9.478 1.00 0.00 C ATOM 688 CD ARG A 47 3.908 -4.196 10.136 1.00 0.00 C ATOM 689 NE ARG A 47 4.888 -4.517 11.185 1.00 0.00 N ATOM 690 CZ ARG A 47 4.904 -4.003 12.417 1.00 0.00 C ATOM 691 NH1 ARG A 47 3.846 -3.419 12.956 1.00 0.00 N ATOM 692 NH2 ARG A 47 6.012 -4.044 13.134 1.00 0.00 N ATOM 0 H ARG A 47 1.750 0.087 9.798 1.00 0.00 H new ATOM 0 HA ARG A 47 2.394 -1.933 7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.740 -0.793 9.791 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.890 -1.910 10.840 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.306 -2.986 8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.254 -2.546 9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.907 -4.146 10.565 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.894 -4.987 9.386 1.00 0.00 H new ATOM 0 HE ARG A 47 5.618 -5.190 10.951 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.977 -3.349 12.427 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.899 -3.039 13.901 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.855 -4.468 12.746 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.025 -3.652 14.075 1.00 0.00 H new ATOM 703 N GLU A 48 0.227 -2.632 10.157 1.00 0.00 N ATOM 704 CA GLU A 48 -0.945 -3.421 10.525 1.00 0.00 C ATOM 705 C GLU A 48 -1.810 -3.766 9.300 1.00 0.00 C ATOM 706 O GLU A 48 -2.194 -4.914 9.090 1.00 0.00 O ATOM 707 CB GLU A 48 -1.739 -2.600 11.549 1.00 0.00 C ATOM 708 CG GLU A 48 -2.911 -3.380 12.171 1.00 0.00 C ATOM 709 CD GLU A 48 -2.486 -4.556 13.047 1.00 0.00 C ATOM 710 OE1 GLU A 48 -1.319 -4.554 13.497 1.00 0.00 O ATOM 711 OE2 GLU A 48 -3.352 -5.428 13.264 1.00 0.00 O ATOM 0 H GLU A 48 0.352 -1.825 10.768 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.635 -4.375 10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.067 -2.272 12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.124 -1.702 11.066 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.512 -2.695 12.769 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.551 -3.751 11.371 1.00 0.00 H new ATOM 716 N GLN A 49 -2.104 -2.756 8.473 1.00 0.00 N ATOM 717 CA GLN A 49 -2.776 -2.942 7.189 1.00 0.00 C ATOM 718 C GLN A 49 -1.851 -3.570 6.137 1.00 0.00 C ATOM 719 O GLN A 49 -2.286 -4.321 5.268 1.00 0.00 O ATOM 720 CB GLN A 49 -3.209 -1.574 6.649 1.00 0.00 C ATOM 721 CG GLN A 49 -4.307 -0.831 7.411 1.00 0.00 C ATOM 722 CD GLN A 49 -5.590 -1.638 7.558 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.531 -1.482 6.795 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.673 -2.480 8.578 1.00 0.00 N ATOM 0 H GLN A 49 -1.880 -1.783 8.680 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.624 -3.605 7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.329 -0.932 6.615 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.545 -1.709 5.621 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.937 -0.566 8.402 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.530 0.102 6.894 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.879 -2.600 9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.531 -3.009 8.734 1.00 0.00 H new ATOM 731 N ALA A 50 -0.579 -3.176 6.170 1.00 0.00 N ATOM 732 CA ALA A 50 0.375 -3.452 5.113 1.00 0.00 C ATOM 733 C ALA A 50 0.524 -4.909 4.671 1.00 0.00 C ATOM 734 O ALA A 50 0.295 -5.868 5.403 1.00 0.00 O ATOM 735 CB ALA A 50 1.748 -2.909 5.492 1.00 0.00 C ATOM 0 H ALA A 50 -0.182 -2.648 6.947 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.052 -2.943 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.457 -3.121 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.684 -1.831 5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.086 -3.385 6.412 1.00 0.00 H new ATOM 741 N GLY A 51 0.974 -5.040 3.426 1.00 0.00 N ATOM 742 CA GLY A 51 1.130 -6.320 2.741 1.00 0.00 C ATOM 743 C GLY A 51 -0.093 -6.684 1.897 1.00 0.00 C ATOM 744 O GLY A 51 -0.176 -7.786 1.355 1.00 0.00 O ATOM 0 H GLY A 51 1.246 -4.242 2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.011 -6.281 2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.306 -7.104 3.478 1.00 0.00 H new ATOM 748 N GLY A 52 -1.026 -5.736 1.769 1.00 0.00 N ATOM 749 CA GLY A 52 -2.148 -5.793 0.850 1.00 0.00 C ATOM 750 C GLY A 52 -3.456 -5.371 1.509 1.00 0.00 C ATOM 751 O GLY A 52 -4.085 -6.139 2.231 1.00 0.00 O ATOM 0 H GLY A 52 -1.013 -4.881 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.949 -5.146 -0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.248 -6.808 0.465 1.00 0.00 H new ATOM 755 N ASP A 53 -3.832 -4.139 1.184 1.00 0.00 N ATOM 756 CA ASP A 53 -5.092 -3.475 1.438 1.00 0.00 C ATOM 757 C ASP A 53 -5.121 -2.611 2.706 1.00 0.00 C ATOM 758 O ASP A 53 -4.874 -3.055 3.823 1.00 0.00 O ATOM 759 CB ASP A 53 -6.323 -4.354 1.204 1.00 0.00 C ATOM 760 CG ASP A 53 -7.603 -3.517 1.180 1.00 0.00 C ATOM 761 OD1 ASP A 53 -7.500 -2.302 0.877 1.00 0.00 O ATOM 762 OD2 ASP A 53 -8.670 -4.095 1.455 1.00 0.00 O ATOM 0 H ASP A 53 -3.190 -3.523 0.685 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.168 -2.728 0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.217 -4.889 0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.391 -5.106 1.990 1.00 0.00 H new ATOM 766 N ALA A 54 -5.415 -1.336 2.474 1.00 0.00 N ATOM 767 CA ALA A 54 -5.703 -0.318 3.472 1.00 0.00 C ATOM 768 C ALA A 54 -6.736 0.652 2.912 1.00 0.00 C ATOM 769 O ALA A 54 -6.811 1.797 3.343 1.00 0.00 O ATOM 770 CB ALA A 54 -4.399 0.378 3.862 1.00 0.00 C ATOM 0 H ALA A 54 -5.461 -0.965 1.525 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.125 -0.761 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.605 1.143 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.705 -0.354 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.956 0.842 2.981 1.00 0.00 H new ATOM 776 N THR A 55 -7.544 0.191 1.954 1.00 0.00 N ATOM 777 CA THR A 55 -8.511 0.996 1.236 1.00 0.00 C ATOM 778 C THR A 55 -9.571 1.471 2.224 1.00 0.00 C ATOM 779 O THR A 55 -9.809 2.667 2.382 1.00 0.00 O ATOM 780 CB THR A 55 -9.120 0.124 0.128 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.148 -0.318 -0.794 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.207 0.876 -0.642 1.00 0.00 C ATOM 0 H THR A 55 -7.536 -0.784 1.654 1.00 0.00 H new ATOM 0 HA THR A 55 -8.053 1.873 0.780 1.00 0.00 H new ATOM 0 HB THR A 55 -9.554 -0.740 0.632 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.596 -1.014 -0.379 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.616 0.230 -1.418 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.002 1.168 0.044 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.778 1.767 -1.101 1.00 0.00 H new ATOM 790 N GLU A 56 -10.165 0.513 2.939 1.00 0.00 N ATOM 791 CA GLU A 56 -11.170 0.793 3.947 1.00 0.00 C ATOM 792 C GLU A 56 -10.636 1.753 5.014 1.00 0.00 C ATOM 793 O GLU A 56 -11.252 2.778 5.273 1.00 0.00 O ATOM 794 CB GLU A 56 -11.677 -0.535 4.520 1.00 0.00 C ATOM 795 CG GLU A 56 -12.849 -0.327 5.490 1.00 0.00 C ATOM 796 CD GLU A 56 -13.428 -1.652 5.970 1.00 0.00 C ATOM 797 OE1 GLU A 56 -12.796 -2.251 6.865 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.479 -2.043 5.420 1.00 0.00 O ATOM 0 H GLU A 56 -9.957 -0.479 2.829 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.019 1.310 3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.991 -1.186 3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.863 -1.042 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.512 0.254 6.348 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.629 0.254 4.998 1.00 0.00 H new ATOM 803 N ASN A 57 -9.452 1.484 5.577 1.00 0.00 N ATOM 804 CA ASN A 57 -8.863 2.387 6.566 1.00 0.00 C ATOM 805 C ASN A 57 -8.620 3.789 5.966 1.00 0.00 C ATOM 806 O ASN A 57 -8.950 4.811 6.570 1.00 0.00 O ATOM 807 CB ASN A 57 -7.581 1.773 7.157 1.00 0.00 C ATOM 808 CG ASN A 57 -7.505 1.982 8.666 1.00 0.00 C ATOM 809 OD1 ASN A 57 -7.584 3.097 9.160 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.335 0.911 9.430 1.00 0.00 N ATOM 0 H ASN A 57 -8.891 0.659 5.367 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.570 2.517 7.385 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.551 0.706 6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.709 2.222 6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.269 1.012 10.443 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.271 -0.014 9.005 1.00 0.00 H new ATOM 816 N PHE A 58 -8.071 3.835 4.744 1.00 0.00 N ATOM 817 CA PHE A 58 -7.790 5.086 4.032 1.00 0.00 C ATOM 818 C PHE A 58 -9.024 5.994 3.861 1.00 0.00 C ATOM 819 O PHE A 58 -8.864 7.213 3.971 1.00 0.00 O ATOM 820 CB PHE A 58 -7.105 4.784 2.690 1.00 0.00 C ATOM 821 CG PHE A 58 -6.520 5.969 1.937 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.540 6.774 2.547 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.757 6.103 0.556 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.857 7.753 1.803 1.00 0.00 C ATOM 825 CE2 PHE A 58 -5.995 7.004 -0.211 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.069 7.857 0.417 1.00 0.00 C ATOM 0 H PHE A 58 -7.809 3.000 4.220 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.107 5.662 4.656 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.304 4.067 2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.831 4.294 2.041 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.311 6.639 3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.527 5.512 0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.170 8.425 2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.121 7.041 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.524 8.588 -0.162 1.00 0.00 H new ATOM 835 N GLU A 59 -10.215 5.407 3.644 1.00 0.00 N ATOM 836 CA GLU A 59 -11.532 6.024 3.481 1.00 0.00 C ATOM 837 C GLU A 59 -12.309 6.210 4.797 1.00 0.00 C ATOM 838 O GLU A 59 -13.065 7.169 4.920 1.00 0.00 O ATOM 839 CB GLU A 59 -12.363 5.266 2.436 1.00 0.00 C ATOM 840 CG GLU A 59 -11.709 5.220 1.042 1.00 0.00 C ATOM 841 CD GLU A 59 -11.015 6.507 0.616 1.00 0.00 C ATOM 842 OE1 GLU A 59 -11.651 7.583 0.602 1.00 0.00 O ATOM 843 OE2 GLU A 59 -9.811 6.428 0.303 1.00 0.00 O ATOM 0 H GLU A 59 -10.279 4.392 3.573 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.346 7.035 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.527 4.246 2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.343 5.736 2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.981 4.409 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.475 4.976 0.305 1.00 0.00 H new ATOM 848 N ASP A 60 -12.121 5.330 5.785 1.00 0.00 N ATOM 849 CA ASP A 60 -12.622 5.526 7.143 1.00 0.00 C ATOM 850 C ASP A 60 -12.032 6.828 7.705 1.00 0.00 C ATOM 851 O ASP A 60 -12.757 7.725 8.133 1.00 0.00 O ATOM 852 CB ASP A 60 -12.259 4.292 7.978 1.00 0.00 C ATOM 853 CG ASP A 60 -12.762 4.421 9.404 1.00 0.00 C ATOM 854 OD1 ASP A 60 -13.953 4.112 9.616 1.00 0.00 O ATOM 855 OD2 ASP A 60 -11.942 4.834 10.251 1.00 0.00 O ATOM 0 H ASP A 60 -11.612 4.455 5.661 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.707 5.629 7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.687 3.401 7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.177 4.159 7.983 1.00 0.00 H new ATOM 859 N VAL A 61 -10.704 6.962 7.612 1.00 0.00 N ATOM 860 CA VAL A 61 -10.033 8.237 7.848 1.00 0.00 C ATOM 861 C VAL A 61 -10.443 9.223 6.738 1.00 0.00 C ATOM 862 O VAL A 61 -10.783 10.372 7.004 1.00 0.00 O ATOM 863 CB VAL A 61 -8.511 8.020 7.895 1.00 0.00 C ATOM 864 CG1 VAL A 61 -7.776 9.353 8.089 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.134 7.077 9.044 1.00 0.00 C ATOM 0 H VAL A 61 -10.074 6.196 7.373 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.330 8.659 8.808 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.213 7.576 6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.701 9.175 8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.010 10.021 7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.094 9.811 9.025 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.053 6.937 9.060 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.458 7.510 9.991 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.623 6.114 8.899 1.00 0.00 H new ATOM 875 N GLY A 62 -10.409 8.749 5.487 1.00 0.00 N ATOM 876 CA GLY A 62 -10.922 9.413 4.293 1.00 0.00 C ATOM 877 C GLY A 62 -10.239 10.751 4.036 1.00 0.00 C ATOM 878 O GLY A 62 -10.796 11.837 4.176 1.00 0.00 O ATOM 0 H GLY A 62 -9.999 7.840 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.780 8.763 3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.995 9.570 4.400 1.00 0.00 H new ATOM 882 N HIS A 63 -8.986 10.608 3.608 1.00 0.00 N ATOM 883 CA HIS A 63 -7.979 11.644 3.489 1.00 0.00 C ATOM 884 CB HIS A 63 -6.674 10.938 3.116 1.00 0.00 C ATOM 885 CG HIS A 63 -6.086 10.070 4.199 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.610 8.923 4.763 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.827 10.235 4.696 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.672 8.432 5.598 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.558 9.188 5.576 1.00 0.00 N ATOM 0 H HIS A 63 -8.629 9.698 3.316 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.851 10.322 2.234 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.938 11.692 2.836 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.531 8.524 4.582 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.152 11.041 4.449 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.798 7.548 6.205 1.00 0.00 H new ATOM 896 N SER A 64 -7.563 13.883 2.656 1.00 0.00 N ATOM 897 CA SER A 64 -7.497 15.051 1.780 1.00 0.00 C ATOM 898 C SER A 64 -6.909 14.748 0.393 1.00 0.00 C ATOM 899 O SER A 64 -5.991 13.940 0.274 1.00 0.00 O ATOM 900 CB SER A 64 -6.603 16.080 2.487 1.00 0.00 C ATOM 901 OG SER A 64 -7.101 16.313 3.793 1.00 0.00 O ATOM 0 HA SER A 64 -8.511 15.411 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.577 15.715 2.536 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.583 17.011 1.921 1.00 0.00 H new ATOM 0 HG SER A 64 -7.368 15.461 4.198 1.00 0.00 H new ATOM 906 N THR A 65 -7.395 15.428 -0.655 1.00 0.00 N ATOM 907 CA THR A 65 -6.889 15.346 -2.038 1.00 0.00 C ATOM 908 C THR A 65 -5.363 15.297 -2.118 1.00 0.00 C ATOM 909 O THR A 65 -4.792 14.413 -2.749 1.00 0.00 O ATOM 910 CB THR A 65 -7.411 16.535 -2.863 1.00 0.00 C ATOM 911 OG1 THR A 65 -6.950 17.786 -2.379 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.939 16.578 -2.920 1.00 0.00 C ATOM 0 H THR A 65 -8.179 16.074 -0.563 1.00 0.00 H new ATOM 0 HA THR A 65 -7.261 14.408 -2.449 1.00 0.00 H new ATOM 0 HB THR A 65 -7.012 16.371 -3.864 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.309 18.506 -2.939 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.257 17.435 -3.514 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.312 15.661 -3.377 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.338 16.668 -1.910 1.00 0.00 H new ATOM 920 N ASP A 66 -4.726 16.214 -1.408 1.00 0.00 N ATOM 921 CA ASP A 66 -3.318 16.327 -1.089 1.00 0.00 C ATOM 922 C ASP A 66 -2.671 14.939 -0.928 1.00 0.00 C ATOM 923 O ASP A 66 -1.710 14.581 -1.610 1.00 0.00 O ATOM 924 CB ASP A 66 -3.258 17.150 0.216 1.00 0.00 C ATOM 925 CG ASP A 66 -4.127 18.409 0.196 1.00 0.00 C ATOM 926 OD1 ASP A 66 -5.369 18.232 0.099 1.00 0.00 O ATOM 927 OD2 ASP A 66 -3.540 19.505 0.279 1.00 0.00 O ATOM 0 H ASP A 66 -5.249 16.986 -0.995 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.757 16.815 -1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.571 16.518 1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.224 17.437 0.405 1.00 0.00 H new ATOM 931 N ALA A 67 -3.259 14.123 -0.051 1.00 0.00 N ATOM 932 CA ALA A 67 -2.824 12.762 0.233 1.00 0.00 C ATOM 933 C ALA A 67 -3.086 11.792 -0.931 1.00 0.00 C ATOM 934 O ALA A 67 -2.278 10.902 -1.191 1.00 0.00 O ATOM 935 CB ALA A 67 -3.523 12.272 1.502 1.00 0.00 C ATOM 0 H ALA A 67 -4.074 14.403 0.495 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.744 12.782 0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.204 11.254 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.262 12.923 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.603 12.289 1.353 1.00 0.00 H new ATOM 941 N ARG A 68 -4.205 11.944 -1.647 1.00 0.00 N ATOM 942 CA ARG A 68 -4.520 11.124 -2.821 1.00 0.00 C ATOM 943 C ARG A 68 -3.495 11.399 -3.929 1.00 0.00 C ATOM 944 O ARG A 68 -3.044 10.482 -4.618 1.00 0.00 O ATOM 945 CB ARG A 68 -5.952 11.393 -3.318 1.00 0.00 C ATOM 946 CG ARG A 68 -7.054 10.661 -2.533 1.00 0.00 C ATOM 947 CD ARG A 68 -7.031 11.023 -1.044 1.00 0.00 C ATOM 948 NE ARG A 68 -8.336 10.863 -0.373 1.00 0.00 N ATOM 949 CZ ARG A 68 -9.034 9.747 -0.152 1.00 0.00 C ATOM 950 NH1 ARG A 68 -8.613 8.588 -0.618 1.00 0.00 N ATOM 951 NH2 ARG A 68 -10.157 9.799 0.548 1.00 0.00 N ATOM 0 H ARG A 68 -4.918 12.640 -1.429 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.466 10.072 -2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.143 12.465 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.018 11.103 -4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.028 10.913 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.927 9.584 -2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.294 10.399 -0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.701 12.056 -0.936 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.763 11.724 -0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.746 8.538 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.154 7.741 -0.443 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.487 10.691 0.917 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.692 8.947 0.718 1.00 0.00 H new ATOM 962 N GLU A 69 -3.091 12.661 -4.063 1.00 0.00 N ATOM 963 CA GLU A 69 -2.055 13.074 -4.994 1.00 0.00 C ATOM 964 C GLU A 69 -0.689 12.533 -4.557 1.00 0.00 C ATOM 965 O GLU A 69 -0.005 11.867 -5.333 1.00 0.00 O ATOM 966 CB GLU A 69 -2.084 14.594 -5.154 1.00 0.00 C ATOM 967 CG GLU A 69 -1.317 14.971 -6.434 1.00 0.00 C ATOM 968 CD GLU A 69 -1.446 16.444 -6.786 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.407 16.759 -7.520 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.569 17.211 -6.337 1.00 0.00 O ATOM 0 H GLU A 69 -3.482 13.431 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.246 12.646 -5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.113 14.948 -5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.630 15.074 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.263 14.724 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.687 14.370 -7.264 1.00 0.00 H new ATOM 975 N LEU A 70 -0.332 12.718 -3.279 1.00 0.00 N ATOM 976 CA LEU A 70 0.834 12.070 -2.676 1.00 0.00 C ATOM 977 C LEU A 70 0.861 10.573 -3.020 1.00 0.00 C ATOM 978 O LEU A 70 1.887 10.021 -3.406 1.00 0.00 O ATOM 979 CB LEU A 70 0.794 12.241 -1.145 1.00 0.00 C ATOM 980 CG LEU A 70 2.132 12.191 -0.381 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.286 11.488 -1.091 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.564 13.602 -0.003 1.00 0.00 C ATOM 0 H LEU A 70 -0.845 13.322 -2.637 1.00 0.00 H new ATOM 0 HA LEU A 70 1.733 12.540 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.319 13.198 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.147 11.464 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 70 1.921 11.578 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.173 11.516 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.014 10.451 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.496 11.994 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.510 13.561 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.687 14.199 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.804 14.057 0.632 1.00 0.00 H new ATOM 993 N SER A 71 -0.301 9.916 -2.932 1.00 0.00 N ATOM 994 CA SER A 71 -0.450 8.494 -3.158 1.00 0.00 C ATOM 995 C SER A 71 0.214 8.075 -4.486 1.00 0.00 C ATOM 996 O SER A 71 0.906 7.062 -4.553 1.00 0.00 O ATOM 997 CB SER A 71 -1.942 8.121 -3.028 1.00 0.00 C ATOM 998 OG SER A 71 -2.525 7.829 -4.283 1.00 0.00 O ATOM 0 H SER A 71 -1.178 10.379 -2.695 1.00 0.00 H new ATOM 0 HA SER A 71 0.081 7.920 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.044 7.257 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.482 8.944 -2.560 1.00 0.00 H new ATOM 0 HG SER A 71 -2.842 8.659 -4.697 1.00 0.00 H new ATOM 1003 N LYS A 72 0.123 8.920 -5.517 1.00 0.00 N ATOM 1004 CA LYS A 72 0.725 8.684 -6.829 1.00 0.00 C ATOM 1005 C LYS A 72 2.236 8.442 -6.737 1.00 0.00 C ATOM 1006 O LYS A 72 2.768 7.604 -7.459 1.00 0.00 O ATOM 1007 CB LYS A 72 0.446 9.866 -7.771 1.00 0.00 C ATOM 1008 CG LYS A 72 -1.044 10.229 -7.804 1.00 0.00 C ATOM 1009 CD LYS A 72 -1.370 11.495 -8.615 1.00 0.00 C ATOM 1010 CE LYS A 72 -1.502 11.292 -10.131 1.00 0.00 C ATOM 1011 NZ LYS A 72 -0.210 10.985 -10.779 1.00 0.00 N ATOM 0 H LYS A 72 -0.382 9.805 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 72 0.266 7.781 -7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.024 10.732 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.781 9.616 -8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.601 9.391 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.395 10.367 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.303 11.916 -8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.590 12.234 -8.431 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.203 10.480 -10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.924 12.192 -10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.236 11.298 -11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.556 11.481 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.039 9.960 -10.744 1.00 0.00 H new ATOM 1021 N THR A 73 2.915 9.173 -5.846 1.00 0.00 N ATOM 1022 CA THR A 73 4.362 9.024 -5.608 1.00 0.00 C ATOM 1023 C THR A 73 4.737 8.029 -4.495 1.00 0.00 C ATOM 1024 O THR A 73 5.904 7.919 -4.121 1.00 0.00 O ATOM 1025 CB THR A 73 5.034 10.388 -5.409 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.433 10.229 -5.484 1.00 0.00 O ATOM 1027 CG2 THR A 73 4.708 11.092 -4.095 1.00 0.00 C ATOM 0 H THR A 73 2.478 9.889 -5.265 1.00 0.00 H new ATOM 0 HA THR A 73 4.757 8.571 -6.518 1.00 0.00 H new ATOM 0 HB THR A 73 4.636 11.021 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.690 9.386 -5.056 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.233 12.047 -4.054 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.634 11.265 -4.032 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.024 10.468 -3.259 1.00 0.00 H new ATOM 1035 N PHE A 74 3.740 7.313 -3.982 1.00 0.00 N ATOM 1036 CA PHE A 74 3.804 6.246 -2.978 1.00 0.00 C ATOM 1037 C PHE A 74 3.394 4.885 -3.558 1.00 0.00 C ATOM 1038 O PHE A 74 3.754 3.826 -3.040 1.00 0.00 O ATOM 1039 CB PHE A 74 2.872 6.680 -1.859 1.00 0.00 C ATOM 1040 CG PHE A 74 3.421 7.620 -0.806 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.789 7.960 -0.696 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.507 8.104 0.139 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.226 8.779 0.359 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.938 8.947 1.168 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.283 9.320 1.247 1.00 0.00 C ATOM 0 H PHE A 74 2.779 7.477 -4.283 1.00 0.00 H new ATOM 0 HA PHE A 74 4.823 6.106 -2.618 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.003 7.157 -2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.515 5.783 -1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.498 7.590 -1.422 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.466 7.825 0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.278 8.990 0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.233 9.310 1.901 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.599 10.030 1.997 1.00 0.00 H new ATOM 1054 N ILE A 75 2.626 4.915 -4.642 1.00 0.00 N ATOM 1055 CA ILE A 75 2.310 3.756 -5.450 1.00 0.00 C ATOM 1056 C ILE A 75 3.542 3.122 -6.082 1.00 0.00 C ATOM 1057 O ILE A 75 4.531 3.783 -6.389 1.00 0.00 O ATOM 1058 CB ILE A 75 1.343 4.202 -6.564 1.00 0.00 C ATOM 1059 CG1 ILE A 75 -0.047 4.191 -5.941 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.359 3.384 -7.870 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.110 4.582 -6.942 1.00 0.00 C ATOM 0 H ILE A 75 2.197 5.773 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 75 1.863 3.003 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 75 1.669 5.185 -6.902 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.263 3.197 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.073 4.878 -5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.634 3.801 -8.569 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.355 3.424 -8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.099 2.348 -7.653 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.088 4.563 -6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.908 5.587 -7.313 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.102 3.879 -7.775 1.00 0.00 H new ATOM 1072 N ILE A 76 3.399 1.828 -6.357 1.00 0.00 N ATOM 1073 CA ILE A 76 4.316 1.052 -7.184 1.00 0.00 C ATOM 1074 C ILE A 76 3.628 0.420 -8.412 1.00 0.00 C ATOM 1075 O ILE A 76 4.308 0.025 -9.362 1.00 0.00 O ATOM 1076 CB ILE A 76 5.018 0.005 -6.322 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.964 -0.937 -5.731 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.849 0.681 -5.221 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.659 -2.031 -4.921 1.00 0.00 C ATOM 0 H ILE A 76 2.619 1.276 -6.000 1.00 0.00 H new ATOM 0 HA ILE A 76 5.062 1.735 -7.591 1.00 0.00 H new ATOM 0 HB ILE A 76 5.708 -0.576 -6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.277 -0.379 -5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.369 -1.382 -6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.342 -0.081 -4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.601 1.325 -5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.195 1.279 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.911 -2.702 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.328 -2.595 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.234 -1.577 -4.114 1.00 0.00 H new ATOM 1090 N GLY A 77 2.290 0.307 -8.392 1.00 0.00 N ATOM 1091 CA GLY A 77 1.447 -0.061 -9.528 1.00 0.00 C ATOM 1092 C GLY A 77 0.077 -0.583 -9.079 1.00 0.00 C ATOM 1093 O GLY A 77 -0.638 0.117 -8.368 1.00 0.00 O ATOM 0 H GLY A 77 1.749 0.478 -7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.311 0.806 -10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.950 -0.825 -10.121 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.279 -1.807 -9.482 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.569 -2.455 -9.233 1.00 0.00 C ATOM 1099 C GLU A 78 -1.387 -3.832 -8.579 1.00 0.00 C ATOM 1100 O GLU A 78 -0.320 -4.435 -8.621 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.296 -2.628 -10.572 1.00 0.00 C ATOM 1102 CG GLU A 78 -2.974 -1.356 -11.128 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.452 -1.187 -10.771 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -5.152 -2.217 -10.645 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -4.891 -0.018 -10.694 1.00 0.00 O ATOM 0 H GLU A 78 0.356 -2.401 -10.016 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.148 -1.830 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.580 -2.990 -11.310 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.054 -3.402 -10.457 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.428 -0.486 -10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.879 -1.360 -12.214 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.479 -4.349 -8.025 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.583 -5.643 -7.331 1.00 0.00 C ATOM 1112 C LEU A 79 -2.831 -6.817 -8.244 1.00 0.00 C ATOM 1113 O LEU A 79 -3.053 -7.915 -7.766 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.637 -5.478 -6.231 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.647 -6.597 -5.932 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.092 -7.665 -4.994 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -5.780 -5.929 -5.171 1.00 0.00 C ATOM 0 H LEU A 79 -3.370 -3.853 -8.046 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.620 -5.899 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.102 -5.274 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.212 -4.584 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.928 -7.074 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.851 -8.427 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.213 -8.125 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.815 -7.207 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.540 -6.671 -4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.391 -5.488 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.223 -5.148 -5.789 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.757 -6.578 -9.549 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.965 -7.573 -10.584 1.00 0.00 C ATOM 1130 C HIS A 80 -4.443 -7.873 -10.713 1.00 0.00 C ATOM 1131 O HIS A 80 -5.189 -7.853 -9.731 1.00 0.00 O ATOM 1132 CB HIS A 80 -2.137 -8.823 -10.312 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.945 -9.787 -11.434 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -2.635 -10.937 -11.701 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -1.011 -9.623 -12.411 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -2.221 -11.373 -12.899 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -1.220 -10.611 -13.373 1.00 0.00 N ATOM 0 H HIS A 80 -2.543 -5.654 -9.923 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.622 -7.179 -11.540 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.152 -8.505 -9.971 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.602 -9.360 -9.485 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.244 -8.863 -12.437 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.637 -12.225 -13.416 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.718 -10.731 -14.253 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.918 -8.073 -11.940 1.00 0.00 N ATOM 1145 CA PRO A 81 -6.293 -8.438 -12.125 1.00 0.00 C ATOM 1146 C PRO A 81 -6.588 -9.897 -11.907 1.00 0.00 C ATOM 1147 O PRO A 81 -7.758 -10.267 -11.930 1.00 0.00 O ATOM 1148 CB PRO A 81 -6.608 -8.043 -13.547 1.00 0.00 C ATOM 1149 CG PRO A 81 -5.276 -8.197 -14.280 1.00 0.00 C ATOM 1150 CD PRO A 81 -4.260 -7.813 -13.212 1.00 0.00 C ATOM 0 HA PRO A 81 -6.909 -7.933 -11.381 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.377 -8.684 -13.978 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.978 -7.019 -13.604 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.125 -9.216 -14.635 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.215 -7.544 -15.151 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.347 -8.401 -13.309 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.975 -6.765 -13.300 1.00 0.00 H new ATOM 1155 N ASP A 82 -5.557 -10.690 -11.652 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.830 -12.097 -11.345 1.00 0.00 C ATOM 1157 C ASP A 82 -5.732 -12.332 -9.841 1.00 0.00 C ATOM 1158 O ASP A 82 -5.212 -13.363 -9.418 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.959 -13.019 -12.218 1.00 0.00 C ATOM 1160 CG ASP A 82 -5.513 -14.429 -12.390 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -6.748 -14.557 -12.536 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -4.672 -15.350 -12.440 1.00 0.00 O ATOM 0 H ASP A 82 -4.576 -10.411 -11.649 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.855 -12.357 -11.608 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.843 -12.565 -13.202 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.964 -13.084 -11.777 1.00 0.00 H new ATOM 1166 N ASP A 83 -6.167 -11.351 -9.029 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.887 -11.450 -7.614 1.00 0.00 C ATOM 1168 C ASP A 83 -7.013 -10.762 -6.844 1.00 0.00 C ATOM 1169 O ASP A 83 -7.652 -11.319 -5.952 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.527 -10.769 -7.470 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.842 -11.256 -6.220 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.537 -11.332 -5.190 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.635 -11.569 -6.328 1.00 0.00 O ATOM 0 H ASP A 83 -6.688 -10.525 -9.323 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.844 -12.463 -7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.909 -10.983 -8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.654 -9.687 -7.428 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.260 -9.537 -7.295 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.376 -8.696 -6.966 1.00 0.00 C ATOM 1179 C ARG A 84 -9.773 -9.332 -7.080 1.00 0.00 C ATOM 1180 O ARG A 84 -9.953 -10.217 -7.945 1.00 0.00 O ATOM 1181 CB ARG A 84 -8.228 -7.532 -7.929 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.791 -7.727 -9.341 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.621 -6.423 -10.140 1.00 0.00 C ATOM 1184 NE ARG A 84 -7.202 -6.043 -10.130 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.624 -4.858 -10.295 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -7.256 -3.795 -10.764 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.355 -4.722 -9.967 1.00 0.00 N ATOM 1188 OXT ARG A 84 -10.667 -8.836 -6.358 1.00 0.00 O ATOM 0 H ARG A 84 -6.626 -9.082 -7.952 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.339 -8.434 -5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.713 -6.662 -7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.167 -7.296 -8.016 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.273 -8.544 -9.842 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.845 -8.001 -9.290 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.968 -6.560 -11.164 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.227 -5.630 -9.702 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.555 -6.815 -9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.241 -3.859 -11.021 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.758 -2.911 -10.869 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.836 -5.518 -9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.891 -3.821 -10.085 1.00 0.00 H new