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 HE2:sc= -0.377 K(o=0.088,f=-1.9!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.465 K(o=0.088,f=-4.1!) USER MOD Set 2.1: A 45 HIS : no HE2:sc= 0.0393 X(o=0.077,f=0) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.0379 X(o=0.077,f=0) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -0.804 K(o=-0.18,f=-6.5!) USER MOD Set 3.2: A 20 SER OG : rot 161:sc= 0.624 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 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.64) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= 2.35 (180deg=1.69) USER MOD Single : A 16 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.6) USER MOD Single : A 17 ASN : amide:sc= -0.201! C(o=-0.2!,f=-4.3!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.173 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 52:sc= 0.262 USER MOD Single : A 26 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-0.37) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 18:sc= 0.713 USER MOD Single : A 33 THR OG1 : rot 105:sc= 0.824 USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= 0.628 (180deg=-1.48!) USER MOD Single : A 49 GLN : amide:sc= 0.748 K(o=0.75,f=-0.0023) USER MOD Single : A 55 THR OG1 : rot -60:sc= -0.0593 USER MOD Single : A 64 SER OG : rot 31:sc= 0.0503 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 71 SER OG : rot -58:sc= 1.06 USER MOD Single : A 72 LYS NZ :NH3+ -143:sc= 0.64 (180deg=-3.3!) USER MOD Single : A 73 THR OG1 : rot -39:sc= 0.225 USER MOD Single : A 80 HIS : no HD1:sc= -2.01 K(o=-2,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 3.654 -2.730 -13.926 1.00 0.00 N ATOM 30 CA LYS A 5 4.309 -4.000 -13.614 1.00 0.00 C ATOM 31 C LYS A 5 3.375 -5.039 -13.008 1.00 0.00 C ATOM 32 O LYS A 5 3.516 -6.214 -13.334 1.00 0.00 O ATOM 33 CB LYS A 5 5.553 -3.732 -12.750 1.00 0.00 C ATOM 34 CG LYS A 5 6.150 -5.032 -12.191 1.00 0.00 C ATOM 35 CD LYS A 5 7.605 -4.873 -11.730 1.00 0.00 C ATOM 36 CE LYS A 5 8.582 -4.928 -12.912 1.00 0.00 C ATOM 37 NZ LYS A 5 9.985 -4.874 -12.449 1.00 0.00 N ATOM 0 HA LYS A 5 4.627 -4.453 -14.553 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.304 -3.214 -13.346 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.287 -3.070 -11.926 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.544 -5.372 -11.352 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.099 -5.807 -12.956 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.720 -3.924 -11.207 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.850 -5.661 -11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.419 -5.844 -13.480 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.387 -4.095 -13.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.623 -4.913 -13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.145 -3.988 -11.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.176 -5.683 -11.824 1.00 0.00 H new ATOM 47 N TYR A 6 2.466 -4.602 -12.133 1.00 0.00 N ATOM 48 CA TYR A 6 1.625 -5.461 -11.302 1.00 0.00 C ATOM 49 C TYR A 6 2.449 -6.231 -10.269 1.00 0.00 C ATOM 50 O TYR A 6 3.617 -6.549 -10.483 1.00 0.00 O ATOM 51 CB TYR A 6 0.802 -6.451 -12.133 1.00 0.00 C ATOM 52 CG TYR A 6 -0.011 -5.866 -13.278 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.248 -5.250 -13.029 1.00 0.00 C ATOM 54 CD2 TYR A 6 0.444 -5.991 -14.606 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.008 -4.724 -14.089 1.00 0.00 C ATOM 56 CE2 TYR A 6 -0.319 -5.472 -15.666 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.535 -4.827 -15.406 1.00 0.00 C ATOM 58 OH TYR A 6 -2.247 -4.282 -16.428 1.00 0.00 O ATOM 0 H TYR A 6 2.291 -3.609 -11.980 1.00 0.00 H new ATOM 0 HA TYR A 6 0.938 -4.792 -10.784 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.481 -7.198 -12.544 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.120 -6.974 -11.463 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.618 -5.180 -12.017 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.382 -6.487 -14.810 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.954 -4.242 -13.890 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.033 -5.571 -16.682 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.779 -4.442 -17.274 1.00 0.00 H new ATOM 67 N TYR A 7 1.828 -6.548 -9.139 1.00 0.00 N ATOM 68 CA TYR A 7 2.418 -7.415 -8.139 1.00 0.00 C ATOM 69 C TYR A 7 1.311 -8.298 -7.583 1.00 0.00 C ATOM 70 O TYR A 7 0.305 -7.789 -7.103 1.00 0.00 O ATOM 71 CB TYR A 7 3.097 -6.576 -7.056 1.00 0.00 C ATOM 72 CG TYR A 7 4.136 -5.608 -7.580 1.00 0.00 C ATOM 73 CD1 TYR A 7 5.458 -6.045 -7.770 1.00 0.00 C ATOM 74 CD2 TYR A 7 3.762 -4.311 -7.983 1.00 0.00 C ATOM 75 CE1 TYR A 7 6.441 -5.133 -8.188 1.00 0.00 C ATOM 76 CE2 TYR A 7 4.723 -3.448 -8.538 1.00 0.00 C ATOM 77 CZ TYR A 7 6.072 -3.830 -8.553 1.00 0.00 C ATOM 78 OH TYR A 7 7.028 -2.933 -8.917 1.00 0.00 O ATOM 0 H TYR A 7 0.898 -6.207 -8.894 1.00 0.00 H new ATOM 0 HA TYR A 7 3.192 -8.050 -8.569 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.334 -6.015 -6.515 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.570 -7.245 -6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.717 -7.079 -7.595 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.740 -3.981 -7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.477 -5.434 -8.228 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.424 -2.496 -8.951 1.00 0.00 H new ATOM 0 HH TYR A 7 6.606 -2.078 -9.141 1.00 0.00 H new ATOM 87 N THR A 8 1.463 -9.616 -7.682 1.00 0.00 N ATOM 88 CA THR A 8 0.468 -10.530 -7.134 1.00 0.00 C ATOM 89 C THR A 8 0.459 -10.370 -5.622 1.00 0.00 C ATOM 90 O THR A 8 1.497 -10.136 -5.006 1.00 0.00 O ATOM 91 CB THR A 8 0.795 -11.978 -7.518 1.00 0.00 C ATOM 92 OG1 THR A 8 2.116 -12.280 -7.120 1.00 0.00 O ATOM 93 CG2 THR A 8 0.674 -12.180 -9.030 1.00 0.00 C ATOM 0 H THR A 8 2.258 -10.070 -8.132 1.00 0.00 H new ATOM 0 HA THR A 8 -0.516 -10.295 -7.541 1.00 0.00 H new ATOM 0 HB THR A 8 0.087 -12.637 -7.016 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.327 -13.206 -7.363 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.911 -13.214 -9.279 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.344 -11.954 -9.347 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.369 -11.515 -9.543 1.00 0.00 H new ATOM 101 N LEU A 9 -0.705 -10.497 -5.005 1.00 0.00 N ATOM 102 CA LEU A 9 -0.884 -10.481 -3.564 1.00 0.00 C ATOM 103 C LEU A 9 0.037 -11.480 -2.864 1.00 0.00 C ATOM 104 O LEU A 9 0.411 -11.257 -1.725 1.00 0.00 O ATOM 105 CB LEU A 9 -2.319 -10.861 -3.302 1.00 0.00 C ATOM 106 CG LEU A 9 -2.848 -10.622 -1.880 1.00 0.00 C ATOM 107 CD1 LEU A 9 -3.054 -9.132 -1.589 1.00 0.00 C ATOM 108 CD2 LEU A 9 -4.187 -11.350 -1.732 1.00 0.00 C ATOM 0 H LEU A 9 -1.581 -10.618 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.640 -9.492 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.950 -10.307 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.439 -11.919 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.111 -11.001 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.429 -9.008 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.105 -8.606 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.775 -8.720 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.578 -11.191 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.896 -10.961 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.042 -12.417 -1.900 1.00 0.00 H new ATOM 119 N GLU A 10 0.399 -12.586 -3.522 1.00 0.00 N ATOM 120 CA GLU A 10 1.480 -13.449 -3.040 1.00 0.00 C ATOM 121 C GLU A 10 2.716 -12.589 -2.719 1.00 0.00 C ATOM 122 O GLU A 10 3.286 -12.662 -1.631 1.00 0.00 O ATOM 123 CB GLU A 10 1.816 -14.536 -4.086 1.00 0.00 C ATOM 124 CG GLU A 10 3.309 -14.906 -3.967 1.00 0.00 C ATOM 125 CD GLU A 10 3.764 -16.235 -4.538 1.00 0.00 C ATOM 126 OE1 GLU A 10 2.962 -16.909 -5.213 1.00 0.00 O ATOM 127 OE2 GLU A 10 4.951 -16.521 -4.253 1.00 0.00 O ATOM 0 H GLU A 10 -0.039 -12.903 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 10 1.158 -13.956 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.196 -15.418 -3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.598 -14.172 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.887 -14.119 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.573 -14.890 -2.910 1.00 0.00 H new ATOM 132 N GLU A 11 3.123 -11.767 -3.683 1.00 0.00 N ATOM 133 CA GLU A 11 4.216 -10.831 -3.537 1.00 0.00 C ATOM 134 C GLU A 11 3.852 -9.778 -2.507 1.00 0.00 C ATOM 135 O GLU A 11 4.557 -9.625 -1.521 1.00 0.00 O ATOM 136 CB GLU A 11 4.606 -10.237 -4.907 1.00 0.00 C ATOM 137 CG GLU A 11 6.130 -10.264 -5.119 1.00 0.00 C ATOM 138 CD GLU A 11 6.672 -11.661 -5.413 1.00 0.00 C ATOM 139 OE1 GLU A 11 6.777 -12.459 -4.454 1.00 0.00 O ATOM 140 OE2 GLU A 11 6.983 -11.911 -6.595 1.00 0.00 O ATOM 0 H GLU A 11 2.687 -11.739 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 11 5.103 -11.346 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.117 -10.800 -5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.246 -9.210 -4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.387 -9.600 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.621 -9.871 -4.229 1.00 0.00 H new ATOM 145 N ILE A 12 2.716 -9.101 -2.662 1.00 0.00 N ATOM 146 CA ILE A 12 2.314 -8.083 -1.696 1.00 0.00 C ATOM 147 C ILE A 12 2.365 -8.600 -0.250 1.00 0.00 C ATOM 148 O ILE A 12 2.911 -7.928 0.625 1.00 0.00 O ATOM 149 CB ILE A 12 0.961 -7.436 -2.053 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.759 -7.142 -3.551 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.809 -6.099 -1.326 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.661 -6.663 -3.843 1.00 0.00 C ATOM 0 H ILE A 12 2.066 -9.236 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 12 3.054 -7.285 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 12 0.220 -8.175 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.473 -6.384 -3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.966 -8.042 -4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.150 -5.651 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.853 -6.263 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.615 -5.429 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.766 -6.465 -4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.373 -7.432 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.859 -5.749 -3.283 1.00 0.00 H new ATOM 163 N GLN A 13 1.930 -9.842 -0.017 1.00 0.00 N ATOM 164 CA GLN A 13 1.973 -10.461 1.312 1.00 0.00 C ATOM 165 C GLN A 13 3.365 -10.463 1.948 1.00 0.00 C ATOM 166 O GLN A 13 3.493 -10.512 3.170 1.00 0.00 O ATOM 167 CB GLN A 13 1.486 -11.912 1.233 1.00 0.00 C ATOM 168 CG GLN A 13 -0.036 -12.010 1.406 1.00 0.00 C ATOM 169 CD GLN A 13 -0.515 -11.611 2.799 1.00 0.00 C ATOM 170 OE1 GLN A 13 0.211 -11.704 3.780 1.00 0.00 O ATOM 171 NE2 GLN A 13 -1.753 -11.155 2.911 1.00 0.00 N ATOM 0 H GLN A 13 1.539 -10.445 -0.741 1.00 0.00 H new ATOM 0 HA GLN A 13 1.322 -9.852 1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.771 -12.340 0.272 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.979 -12.504 2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.520 -11.372 0.667 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.352 -13.033 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.347 -11.083 2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.113 -10.876 3.824 1.00 0.00 H new ATOM 178 N LYS A 14 4.409 -10.462 1.121 1.00 0.00 N ATOM 179 CA LYS A 14 5.788 -10.539 1.561 1.00 0.00 C ATOM 180 C LYS A 14 6.332 -9.150 1.978 1.00 0.00 C ATOM 181 O LYS A 14 7.327 -9.066 2.698 1.00 0.00 O ATOM 182 CB LYS A 14 6.598 -11.157 0.410 1.00 0.00 C ATOM 183 CG LYS A 14 6.236 -12.625 0.131 1.00 0.00 C ATOM 184 CD LYS A 14 6.866 -13.094 -1.194 1.00 0.00 C ATOM 185 CE LYS A 14 6.241 -14.414 -1.680 1.00 0.00 C ATOM 186 NZ LYS A 14 6.483 -14.649 -3.123 1.00 0.00 N ATOM 0 H LYS A 14 4.311 -10.406 0.107 1.00 0.00 H new ATOM 0 HA LYS A 14 5.871 -11.162 2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.435 -10.572 -0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.660 -11.090 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.586 -13.254 0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.153 -12.736 0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.731 -12.325 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.940 -13.226 -1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.653 -15.243 -1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.168 -14.397 -1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.835 -15.385 -3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.319 -13.768 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.466 -14.959 -3.264 1.00 0.00 H new ATOM 196 N HIS A 15 5.699 -8.053 1.533 1.00 0.00 N ATOM 197 CA HIS A 15 6.132 -6.675 1.789 1.00 0.00 C ATOM 198 C HIS A 15 5.309 -6.012 2.903 1.00 0.00 C ATOM 199 O HIS A 15 4.393 -5.234 2.650 1.00 0.00 O ATOM 200 CB HIS A 15 6.055 -5.866 0.492 1.00 0.00 C ATOM 201 CG HIS A 15 7.021 -6.280 -0.599 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.220 -5.687 -0.949 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.753 -7.220 -1.554 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.684 -6.316 -2.042 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.823 -7.259 -2.450 1.00 0.00 N ATOM 0 H HIS A 15 4.850 -8.104 0.971 1.00 0.00 H new ATOM 0 HA HIS A 15 7.165 -6.700 2.136 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.040 -5.938 0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.231 -4.817 0.729 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.863 -7.830 -1.607 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.623 -6.092 -2.526 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.928 -7.879 -3.253 1.00 0.00 H new ATOM 212 N ASN A 16 5.678 -6.290 4.152 1.00 0.00 N ATOM 213 CA ASN A 16 4.975 -5.816 5.349 1.00 0.00 C ATOM 214 C ASN A 16 5.843 -5.880 6.614 1.00 0.00 C ATOM 215 O ASN A 16 5.434 -6.411 7.643 1.00 0.00 O ATOM 216 CB ASN A 16 3.649 -6.575 5.505 1.00 0.00 C ATOM 217 CG ASN A 16 3.795 -8.086 5.376 1.00 0.00 C ATOM 218 OD1 ASN A 16 4.884 -8.644 5.458 1.00 0.00 O ATOM 219 ND2 ASN A 16 2.692 -8.762 5.102 1.00 0.00 N ATOM 0 H ASN A 16 6.493 -6.864 4.368 1.00 0.00 H new ATOM 0 HA ASN A 16 4.752 -4.758 5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.218 -6.341 6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.946 -6.220 4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.735 -9.770 4.954 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.798 -8.275 5.039 1.00 0.00 H new ATOM 225 N ASN A 17 7.046 -5.302 6.548 1.00 0.00 N ATOM 226 CA ASN A 17 7.929 -5.148 7.701 1.00 0.00 C ATOM 227 C ASN A 17 8.620 -3.766 7.633 1.00 0.00 C ATOM 228 O ASN A 17 7.944 -2.762 7.404 1.00 0.00 O ATOM 229 CB ASN A 17 8.856 -6.375 7.714 1.00 0.00 C ATOM 230 CG ASN A 17 9.736 -6.454 8.951 1.00 0.00 C ATOM 231 OD1 ASN A 17 10.912 -6.122 8.879 1.00 0.00 O ATOM 232 ND2 ASN A 17 9.187 -6.860 10.084 1.00 0.00 N ATOM 0 H ASN A 17 7.435 -4.925 5.684 1.00 0.00 H new ATOM 0 HA ASN A 17 7.412 -5.137 8.660 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.251 -7.279 7.650 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.490 -6.352 6.827 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.747 -6.904 10.935 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.203 -7.129 10.106 1.00 0.00 H new ATOM 238 N SER A 18 9.947 -3.697 7.791 1.00 0.00 N ATOM 239 CA SER A 18 10.764 -2.508 7.505 1.00 0.00 C ATOM 240 C SER A 18 11.737 -2.858 6.365 1.00 0.00 C ATOM 241 O SER A 18 12.752 -2.203 6.149 1.00 0.00 O ATOM 242 CB SER A 18 11.494 -2.021 8.766 1.00 0.00 C ATOM 243 OG SER A 18 10.576 -1.425 9.671 1.00 0.00 O ATOM 0 H SER A 18 10.498 -4.486 8.130 1.00 0.00 H new ATOM 0 HA SER A 18 10.129 -1.681 7.189 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.998 -2.859 9.248 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.264 -1.300 8.492 1.00 0.00 H new ATOM 0 HG SER A 18 11.055 -1.121 10.470 1.00 0.00 H new ATOM 248 N LYS A 19 11.385 -3.928 5.648 1.00 0.00 N ATOM 249 CA LYS A 19 11.964 -4.450 4.429 1.00 0.00 C ATOM 250 C LYS A 19 11.324 -3.660 3.279 1.00 0.00 C ATOM 251 O LYS A 19 11.993 -3.000 2.491 1.00 0.00 O ATOM 252 CB LYS A 19 11.545 -5.929 4.401 1.00 0.00 C ATOM 253 CG LYS A 19 12.081 -6.771 5.565 1.00 0.00 C ATOM 254 CD LYS A 19 13.424 -7.412 5.189 1.00 0.00 C ATOM 255 CE LYS A 19 13.938 -8.281 6.343 1.00 0.00 C ATOM 256 NZ LYS A 19 15.220 -8.933 5.995 1.00 0.00 N ATOM 0 H LYS A 19 10.600 -4.506 5.949 1.00 0.00 H new ATOM 0 HA LYS A 19 13.048 -4.364 4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.456 -5.984 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.885 -6.371 3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.205 -6.145 6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.360 -7.547 5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.307 -8.019 4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.153 -6.636 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.070 -7.666 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.196 -9.041 6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.542 -9.514 6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.086 -9.538 5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.934 -8.206 5.785 1.00 0.00 H new ATOM 266 N SER A 20 9.992 -3.721 3.277 1.00 0.00 N ATOM 267 CA SER A 20 9.041 -2.917 2.537 1.00 0.00 C ATOM 268 C SER A 20 7.777 -2.877 3.408 1.00 0.00 C ATOM 269 O SER A 20 7.560 -3.797 4.202 1.00 0.00 O ATOM 270 CB SER A 20 8.630 -3.569 1.218 1.00 0.00 C ATOM 271 OG SER A 20 9.443 -3.246 0.105 1.00 0.00 O ATOM 0 H SER A 20 9.511 -4.409 3.857 1.00 0.00 H new ATOM 0 HA SER A 20 9.484 -1.945 2.319 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.635 -4.651 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.603 -3.280 0.993 1.00 0.00 H new ATOM 0 HG SER A 20 9.309 -3.911 -0.602 1.00 0.00 H new ATOM 276 N THR A 21 6.938 -1.861 3.233 1.00 0.00 N ATOM 277 CA THR A 21 5.571 -1.824 3.747 1.00 0.00 C ATOM 278 C THR A 21 4.666 -1.503 2.565 1.00 0.00 C ATOM 279 O THR A 21 4.447 -0.333 2.253 1.00 0.00 O ATOM 280 CB THR A 21 5.411 -0.807 4.893 1.00 0.00 C ATOM 281 OG1 THR A 21 5.858 -1.396 6.102 1.00 0.00 O ATOM 282 CG2 THR A 21 3.972 -0.332 5.119 1.00 0.00 C ATOM 0 H THR A 21 7.195 -1.019 2.717 1.00 0.00 H new ATOM 0 HA THR A 21 5.301 -2.785 4.184 1.00 0.00 H new ATOM 0 HB THR A 21 6.001 0.062 4.602 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.756 -1.766 5.973 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.949 0.381 5.943 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.601 0.148 4.213 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.341 -1.187 5.362 1.00 0.00 H new ATOM 290 N TRP A 22 4.173 -2.551 1.897 1.00 0.00 N ATOM 291 CA TRP A 22 3.179 -2.428 0.844 1.00 0.00 C ATOM 292 C TRP A 22 1.789 -2.304 1.393 1.00 0.00 C ATOM 293 O TRP A 22 1.533 -2.573 2.555 1.00 0.00 O ATOM 294 CB TRP A 22 3.304 -3.521 -0.234 1.00 0.00 C ATOM 295 CG TRP A 22 4.527 -3.487 -1.100 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.598 -2.699 -0.901 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.850 -4.284 -2.282 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.540 -2.927 -1.876 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.133 -3.894 -2.765 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.191 -5.295 -3.005 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.702 -4.460 -3.918 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.815 -5.971 -4.059 1.00 0.00 C ATOM 303 CH2 TRP A 22 6.051 -5.529 -4.545 1.00 0.00 C ATOM 0 H TRP A 22 4.460 -3.513 2.079 1.00 0.00 H new ATOM 0 HA TRP A 22 3.392 -1.491 0.329 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.267 -4.491 0.262 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.429 -3.460 -0.881 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.703 -1.990 -0.093 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.433 -2.438 -1.933 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.177 -5.556 -2.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.630 -4.075 -4.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.342 -6.836 -4.499 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.501 -6.011 -5.401 1.00 0.00 H new ATOM 313 N LEU A 23 0.891 -1.851 0.539 1.00 0.00 N ATOM 314 CA LEU A 23 -0.512 -1.830 0.816 1.00 0.00 C ATOM 315 C LEU A 23 -1.290 -1.769 -0.489 1.00 0.00 C ATOM 316 O LEU A 23 -0.680 -1.503 -1.520 1.00 0.00 O ATOM 317 CB LEU A 23 -0.887 -0.676 1.746 1.00 0.00 C ATOM 318 CG LEU A 23 -0.033 0.447 2.339 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.775 1.787 2.075 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.023 0.322 3.872 1.00 0.00 C ATOM 0 H LEU A 23 1.132 -1.483 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.776 -2.749 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.690 -0.157 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.334 -1.162 2.613 1.00 0.00 H new ATOM 0 HG LEU A 23 0.964 0.400 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.193 2.612 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.899 1.929 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.754 1.761 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.634 1.127 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.986 0.389 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.461 -0.639 4.143 1.00 0.00 H new ATOM 331 N ILE A 24 -2.612 -1.987 -0.448 1.00 0.00 N ATOM 332 CA ILE A 24 -3.480 -1.727 -1.597 1.00 0.00 C ATOM 333 C ILE A 24 -4.466 -0.621 -1.251 1.00 0.00 C ATOM 334 O ILE A 24 -5.163 -0.719 -0.243 1.00 0.00 O ATOM 335 CB ILE A 24 -4.239 -2.974 -2.092 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.287 -4.127 -2.439 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.113 -2.670 -3.316 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.902 -5.522 -2.266 1.00 0.00 C ATOM 0 H ILE A 24 -3.101 -2.344 0.373 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.831 -1.419 -2.417 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.879 -3.276 -1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.957 -4.013 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.400 -4.053 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.629 -3.578 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.847 -1.906 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.485 -2.310 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.165 -6.280 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.206 -5.659 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.772 -5.619 -2.915 1.00 0.00 H new ATOM 349 N LEU A 25 -4.540 0.404 -2.104 1.00 0.00 N ATOM 350 CA LEU A 25 -5.582 1.425 -2.029 1.00 0.00 C ATOM 351 C LEU A 25 -6.271 1.497 -3.397 1.00 0.00 C ATOM 352 O LEU A 25 -5.781 2.157 -4.317 1.00 0.00 O ATOM 353 CB LEU A 25 -5.107 2.797 -1.493 1.00 0.00 C ATOM 354 CG LEU A 25 -3.955 2.750 -0.486 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.506 4.160 -0.097 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.361 1.990 0.773 1.00 0.00 C ATOM 0 H LEU A 25 -3.877 0.547 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.307 1.127 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.801 3.412 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.955 3.298 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.126 2.231 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.687 4.096 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.170 4.693 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.341 4.696 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.525 1.971 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.212 2.486 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.636 0.969 0.509 1.00 0.00 H new ATOM 367 N HIS A 26 -7.400 0.790 -3.523 1.00 0.00 N ATOM 368 CA HIS A 26 -8.259 0.757 -4.705 1.00 0.00 C ATOM 369 C HIS A 26 -7.575 -0.006 -5.858 1.00 0.00 C ATOM 370 O HIS A 26 -7.291 0.558 -6.912 1.00 0.00 O ATOM 371 CB HIS A 26 -8.716 2.187 -5.071 1.00 0.00 C ATOM 372 CG HIS A 26 -9.175 3.018 -3.887 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.465 3.128 -3.415 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.379 3.785 -3.072 1.00 0.00 C ATOM 375 CE1 HIS A 26 -10.440 3.939 -2.341 1.00 0.00 C ATOM 376 NE2 HIS A 26 -9.185 4.340 -2.079 1.00 0.00 N ATOM 0 H HIS A 26 -7.752 0.200 -2.769 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.168 0.196 -4.488 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.893 2.703 -5.565 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.531 2.122 -5.792 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.315 3.932 -3.181 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.309 4.228 -1.769 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.882 4.933 -1.307 1.00 0.00 H new ATOM 383 N TYR A 27 -7.236 -1.283 -5.623 1.00 0.00 N ATOM 384 CA TYR A 27 -6.456 -2.168 -6.503 1.00 0.00 C ATOM 385 C TYR A 27 -4.982 -1.793 -6.673 1.00 0.00 C ATOM 386 O TYR A 27 -4.173 -2.657 -7.007 1.00 0.00 O ATOM 387 CB TYR A 27 -7.055 -2.319 -7.903 1.00 0.00 C ATOM 388 CG TYR A 27 -8.551 -2.555 -7.959 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.095 -3.708 -7.363 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.376 -1.708 -8.722 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.430 -4.067 -7.610 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.727 -2.044 -8.925 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.248 -3.228 -8.381 1.00 0.00 C ATOM 394 OH TYR A 27 -12.538 -3.576 -8.629 1.00 0.00 O ATOM 0 H TYR A 27 -7.516 -1.754 -4.762 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.509 -3.113 -5.962 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.827 -1.419 -8.474 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.556 -3.149 -8.403 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.484 -4.318 -6.714 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.973 -0.802 -9.151 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.826 -4.987 -7.207 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.364 -1.389 -9.501 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.964 -2.884 -9.177 1.00 0.00 H new ATOM 403 N LYS A 28 -4.631 -0.517 -6.503 1.00 0.00 N ATOM 404 CA LYS A 28 -3.279 -0.051 -6.743 1.00 0.00 C ATOM 405 C LYS A 28 -2.394 -0.444 -5.553 1.00 0.00 C ATOM 406 O LYS A 28 -2.912 -0.486 -4.445 1.00 0.00 O ATOM 407 CB LYS A 28 -3.301 1.437 -7.110 1.00 0.00 C ATOM 408 CG LYS A 28 -4.214 1.625 -8.332 1.00 0.00 C ATOM 409 CD LYS A 28 -3.880 2.890 -9.123 1.00 0.00 C ATOM 410 CE LYS A 28 -4.734 2.885 -10.399 1.00 0.00 C ATOM 411 NZ LYS A 28 -4.431 4.038 -11.268 1.00 0.00 N ATOM 0 H LYS A 28 -5.276 0.212 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.824 -0.535 -7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.666 2.029 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.293 1.787 -7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.124 0.757 -8.986 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.252 1.670 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.088 3.779 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.819 2.915 -9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.560 1.960 -10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.790 2.901 -10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.028 3.998 -12.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.621 4.921 -10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.429 4.009 -11.547 1.00 0.00 H new ATOM 421 N VAL A 29 -1.115 -0.787 -5.758 1.00 0.00 N ATOM 422 CA VAL A 29 -0.187 -1.179 -4.683 1.00 0.00 C ATOM 423 C VAL A 29 0.719 -0.001 -4.297 1.00 0.00 C ATOM 424 O VAL A 29 1.146 0.759 -5.171 1.00 0.00 O ATOM 425 CB VAL A 29 0.660 -2.403 -5.059 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.589 -2.799 -3.903 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.233 -3.619 -5.259 1.00 0.00 C ATOM 0 H VAL A 29 -0.689 -0.801 -6.685 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.795 -1.460 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 29 1.214 -2.133 -5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.179 -3.668 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.256 -1.968 -3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.992 -3.042 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.380 -4.480 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.773 -3.829 -4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.946 -3.419 -6.059 1.00 0.00 H new ATOM 437 N TYR A 30 1.024 0.127 -2.999 1.00 0.00 N ATOM 438 CA TYR A 30 1.625 1.286 -2.370 1.00 0.00 C ATOM 439 C TYR A 30 2.736 0.928 -1.370 1.00 0.00 C ATOM 440 O TYR A 30 2.396 0.416 -0.315 1.00 0.00 O ATOM 441 CB TYR A 30 0.454 1.888 -1.595 1.00 0.00 C ATOM 442 CG TYR A 30 -0.603 2.580 -2.430 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.609 1.787 -2.992 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.652 3.979 -2.593 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.641 2.372 -3.731 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.732 4.562 -3.293 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.724 3.755 -3.864 1.00 0.00 C ATOM 448 OH TYR A 30 -3.822 4.288 -4.467 1.00 0.00 O ATOM 0 H TYR A 30 0.844 -0.623 -2.332 1.00 0.00 H new ATOM 0 HA TYR A 30 2.093 1.937 -3.108 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.025 1.094 -1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.849 2.606 -0.876 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.588 0.716 -2.854 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.131 4.601 -2.185 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.382 1.744 -4.204 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.793 5.636 -3.388 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.543 3.624 -4.479 1.00 0.00 H new ATOM 457 N ASP A 31 4.005 1.269 -1.638 1.00 0.00 N ATOM 458 CA ASP A 31 5.186 0.972 -0.783 1.00 0.00 C ATOM 459 C ASP A 31 5.625 2.221 -0.004 1.00 0.00 C ATOM 460 O ASP A 31 6.019 3.219 -0.610 1.00 0.00 O ATOM 461 CB ASP A 31 6.399 0.411 -1.562 1.00 0.00 C ATOM 462 CG ASP A 31 7.529 -0.106 -0.639 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.695 0.443 0.474 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.201 -1.093 -1.025 1.00 0.00 O ATOM 0 H ASP A 31 4.257 1.778 -2.485 1.00 0.00 H new ATOM 0 HA ASP A 31 4.855 0.192 -0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.064 -0.402 -2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.797 1.190 -2.212 1.00 0.00 H new ATOM 468 N LEU A 32 5.570 2.161 1.332 1.00 0.00 N ATOM 469 CA LEU A 32 5.656 3.358 2.175 1.00 0.00 C ATOM 470 C LEU A 32 6.703 3.328 3.286 1.00 0.00 C ATOM 471 O LEU A 32 6.718 4.224 4.126 1.00 0.00 O ATOM 472 CB LEU A 32 4.266 3.579 2.770 1.00 0.00 C ATOM 473 CG LEU A 32 3.193 3.289 1.721 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.829 3.503 2.290 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.227 4.221 0.527 1.00 0.00 C ATOM 0 H LEU A 32 5.466 1.291 1.854 1.00 0.00 H new ATOM 0 HA LEU A 32 5.990 4.174 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.125 2.931 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.172 4.606 3.123 1.00 0.00 H new ATOM 0 HG LEU A 32 3.398 2.262 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.079 3.291 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.681 2.837 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.730 4.538 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.435 3.948 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.078 5.247 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.193 4.139 0.029 1.00 0.00 H new ATOM 486 N THR A 33 7.583 2.330 3.272 1.00 0.00 N ATOM 487 CA THR A 33 8.590 1.953 4.275 1.00 0.00 C ATOM 488 C THR A 33 9.347 3.087 4.985 1.00 0.00 C ATOM 489 O THR A 33 9.764 2.932 6.127 1.00 0.00 O ATOM 490 CB THR A 33 9.549 0.992 3.572 1.00 0.00 C ATOM 491 OG1 THR A 33 8.746 0.117 2.809 1.00 0.00 O ATOM 492 CG2 THR A 33 10.345 0.138 4.560 1.00 0.00 C ATOM 0 H THR A 33 7.616 1.695 2.475 1.00 0.00 H new ATOM 0 HA THR A 33 8.055 1.503 5.112 1.00 0.00 H new ATOM 0 HB THR A 33 10.258 1.569 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.808 0.358 1.861 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.011 -0.528 4.011 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.934 0.786 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.658 -0.454 5.165 1.00 0.00 H new ATOM 500 N LYS A 34 9.514 4.227 4.321 1.00 0.00 N ATOM 501 CA LYS A 34 10.048 5.468 4.886 1.00 0.00 C ATOM 502 C LYS A 34 8.978 6.405 5.400 1.00 0.00 C ATOM 503 O LYS A 34 9.109 6.997 6.463 1.00 0.00 O ATOM 504 CB LYS A 34 10.665 6.232 3.721 1.00 0.00 C ATOM 505 CG LYS A 34 11.981 5.647 3.268 1.00 0.00 C ATOM 506 CD LYS A 34 13.082 5.667 4.348 1.00 0.00 C ATOM 507 CE LYS A 34 13.189 6.993 5.121 1.00 0.00 C ATOM 508 NZ LYS A 34 14.053 6.855 6.309 1.00 0.00 N ATOM 0 H LYS A 34 9.272 4.318 3.334 1.00 0.00 H new ATOM 0 HA LYS A 34 10.718 5.193 5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.967 6.235 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.816 7.271 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.818 4.618 2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.332 6.200 2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.893 4.861 5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.042 5.457 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.589 7.767 4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.195 7.318 5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.908 7.669 6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.812 5.978 6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.049 6.821 6.012 1.00 0.00 H new ATOM 518 N PHE A 35 7.950 6.582 4.578 1.00 0.00 N ATOM 519 CA PHE A 35 6.821 7.457 4.903 1.00 0.00 C ATOM 520 C PHE A 35 6.298 7.138 6.305 1.00 0.00 C ATOM 521 O PHE A 35 5.916 8.035 7.050 1.00 0.00 O ATOM 522 CB PHE A 35 5.714 7.384 3.854 1.00 0.00 C ATOM 523 CG PHE A 35 4.519 8.249 4.205 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.700 9.622 4.460 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.234 7.684 4.310 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.593 10.442 4.731 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.126 8.506 4.578 1.00 0.00 C ATOM 528 CZ PHE A 35 2.303 9.891 4.749 1.00 0.00 C ATOM 0 H PHE A 35 7.872 6.126 3.669 1.00 0.00 H new ATOM 0 HA PHE A 35 7.178 8.487 4.894 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.112 7.696 2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.389 6.349 3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.693 10.046 4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.100 6.620 4.185 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.734 11.495 4.925 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.139 8.074 4.653 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.445 10.531 4.894 1.00 0.00 H new ATOM 537 N LEU A 36 6.367 5.852 6.658 1.00 0.00 N ATOM 538 CA LEU A 36 6.236 5.319 8.008 1.00 0.00 C ATOM 539 C LEU A 36 6.703 6.329 9.077 1.00 0.00 C ATOM 540 O LEU A 36 5.935 6.725 9.951 1.00 0.00 O ATOM 541 CB LEU A 36 7.112 4.050 8.035 1.00 0.00 C ATOM 542 CG LEU A 36 6.620 2.909 7.135 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.139 1.574 7.690 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.098 2.759 7.037 1.00 0.00 C ATOM 0 H LEU A 36 6.525 5.118 5.968 1.00 0.00 H new ATOM 0 HA LEU A 36 5.193 5.105 8.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.125 4.319 7.736 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.168 3.686 9.061 1.00 0.00 H new ATOM 0 HG LEU A 36 6.996 3.160 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.794 0.757 7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.229 1.585 7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.763 1.430 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.856 1.925 6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.687 2.569 8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.667 3.676 6.635 1.00 0.00 H new ATOM 555 N GLU A 37 7.960 6.766 8.965 1.00 0.00 N ATOM 556 CA GLU A 37 8.665 7.670 9.867 1.00 0.00 C ATOM 557 C GLU A 37 7.983 9.049 10.007 1.00 0.00 C ATOM 558 O GLU A 37 8.085 9.687 11.052 1.00 0.00 O ATOM 559 CB GLU A 37 10.101 7.814 9.329 1.00 0.00 C ATOM 560 CG GLU A 37 10.882 6.483 9.297 1.00 0.00 C ATOM 561 CD GLU A 37 12.183 6.567 8.513 1.00 0.00 C ATOM 562 OE1 GLU A 37 12.742 7.677 8.349 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.632 5.523 7.988 1.00 0.00 O ATOM 0 H GLU A 37 8.550 6.475 8.186 1.00 0.00 H new ATOM 0 HA GLU A 37 8.656 7.250 10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.063 8.229 8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.643 8.529 9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.101 6.174 10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.251 5.710 8.858 1.00 0.00 H new ATOM 568 N GLU A 38 7.317 9.516 8.945 1.00 0.00 N ATOM 569 CA GLU A 38 6.720 10.848 8.822 1.00 0.00 C ATOM 570 C GLU A 38 5.218 10.843 9.170 1.00 0.00 C ATOM 571 O GLU A 38 4.713 11.725 9.864 1.00 0.00 O ATOM 572 CB GLU A 38 6.948 11.300 7.369 1.00 0.00 C ATOM 573 CG GLU A 38 6.564 12.766 7.108 1.00 0.00 C ATOM 574 CD GLU A 38 7.565 13.756 7.691 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.713 13.749 7.196 1.00 0.00 O ATOM 576 OE2 GLU A 38 7.160 14.510 8.600 1.00 0.00 O ATOM 0 H GLU A 38 7.174 8.948 8.110 1.00 0.00 H new ATOM 0 HA GLU A 38 7.185 11.536 9.528 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.998 11.158 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.370 10.659 6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.484 12.929 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.580 12.959 7.534 1.00 0.00 H new ATOM 581 N HIS A 39 4.487 9.857 8.644 1.00 0.00 N ATOM 582 CA HIS A 39 3.032 9.765 8.666 1.00 0.00 C ATOM 583 C HIS A 39 2.412 9.983 10.060 1.00 0.00 C ATOM 584 O HIS A 39 2.669 9.192 10.967 1.00 0.00 O ATOM 585 CB HIS A 39 2.655 8.381 8.134 1.00 0.00 C ATOM 586 CG HIS A 39 1.174 8.113 8.073 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.553 7.014 8.612 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.246 8.802 7.335 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.722 7.036 8.178 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.966 8.111 7.398 1.00 0.00 N ATOM 0 H HIS A 39 4.919 9.064 8.169 1.00 0.00 H new ATOM 0 HA HIS A 39 2.632 10.567 8.045 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.073 8.265 7.134 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.122 7.625 8.765 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.976 6.315 9.223 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.422 9.722 6.797 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.459 6.286 8.424 1.00 0.00 H new ATOM 597 N PRO A 40 1.526 10.980 10.240 1.00 0.00 N ATOM 598 CA PRO A 40 0.901 11.261 11.531 1.00 0.00 C ATOM 599 C PRO A 40 0.008 10.115 12.027 1.00 0.00 C ATOM 600 O PRO A 40 -0.179 9.958 13.230 1.00 0.00 O ATOM 601 CB PRO A 40 0.140 12.578 11.345 1.00 0.00 C ATOM 602 CG PRO A 40 -0.164 12.593 9.849 1.00 0.00 C ATOM 603 CD PRO A 40 1.062 11.926 9.238 1.00 0.00 C ATOM 0 HA PRO A 40 1.651 11.352 12.317 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.772 12.605 11.942 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.741 13.437 11.643 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.078 12.045 9.618 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.298 13.608 9.476 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.810 11.420 8.306 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.833 12.660 9.004 1.00 0.00 H new ATOM 608 N GLY A 41 -0.513 9.280 11.120 1.00 0.00 N ATOM 609 CA GLY A 41 -1.181 8.033 11.492 1.00 0.00 C ATOM 610 C GLY A 41 -0.251 7.045 12.222 1.00 0.00 C ATOM 611 O GLY A 41 -0.733 6.164 12.929 1.00 0.00 O ATOM 0 H GLY A 41 -0.483 9.450 10.115 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.033 8.261 12.132 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.575 7.557 10.594 1.00 0.00 H new ATOM 615 N GLY A 42 1.071 7.164 12.032 1.00 0.00 N ATOM 616 CA GLY A 42 2.094 6.301 12.608 1.00 0.00 C ATOM 617 C GLY A 42 2.639 5.327 11.562 1.00 0.00 C ATOM 618 O GLY A 42 2.067 5.203 10.472 1.00 0.00 O ATOM 0 H GLY A 42 1.466 7.899 11.446 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.908 6.909 13.003 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.676 5.744 13.446 1.00 0.00 H new ATOM 622 N GLU A 43 3.711 4.598 11.909 1.00 0.00 N ATOM 623 CA GLU A 43 4.192 3.508 11.079 1.00 0.00 C ATOM 624 C GLU A 43 3.255 2.315 11.254 1.00 0.00 C ATOM 625 O GLU A 43 2.720 1.745 10.303 1.00 0.00 O ATOM 626 CB GLU A 43 5.598 3.008 11.492 1.00 0.00 C ATOM 627 CG GLU A 43 6.689 4.020 11.859 1.00 0.00 C ATOM 628 CD GLU A 43 8.028 3.327 12.117 1.00 0.00 C ATOM 629 OE1 GLU A 43 8.400 2.464 11.285 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.636 3.636 13.159 1.00 0.00 O ATOM 0 H GLU A 43 4.253 4.751 12.759 1.00 0.00 H new ATOM 0 HA GLU A 43 4.231 3.887 10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.469 2.345 12.347 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.981 2.400 10.672 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.802 4.744 11.052 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.388 4.576 12.747 1.00 0.00 H new ATOM 635 N GLU A 44 3.049 1.954 12.523 1.00 0.00 N ATOM 636 CA GLU A 44 2.449 0.691 12.884 1.00 0.00 C ATOM 637 C GLU A 44 1.016 0.591 12.393 1.00 0.00 C ATOM 638 O GLU A 44 0.560 -0.468 11.993 1.00 0.00 O ATOM 639 CB GLU A 44 2.619 0.396 14.376 1.00 0.00 C ATOM 640 CG GLU A 44 4.107 0.346 14.779 1.00 0.00 C ATOM 641 CD GLU A 44 4.903 -0.702 14.003 1.00 0.00 C ATOM 642 OE1 GLU A 44 4.936 -1.860 14.462 1.00 0.00 O ATOM 643 OE2 GLU A 44 5.451 -0.338 12.938 1.00 0.00 O ATOM 0 H GLU A 44 3.298 2.538 13.321 1.00 0.00 H new ATOM 0 HA GLU A 44 2.987 -0.103 12.366 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.109 1.163 14.959 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.144 -0.555 14.616 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.554 1.327 14.617 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.182 0.134 15.846 1.00 0.00 H new ATOM 648 N HIS A 45 0.332 1.725 12.334 1.00 0.00 N ATOM 649 CA HIS A 45 -1.004 1.812 11.789 1.00 0.00 C ATOM 650 C HIS A 45 -1.075 1.519 10.282 1.00 0.00 C ATOM 651 O HIS A 45 -2.045 0.931 9.811 1.00 0.00 O ATOM 652 CB HIS A 45 -1.529 3.192 12.165 1.00 0.00 C ATOM 653 CG HIS A 45 -3.000 3.354 11.898 1.00 0.00 C ATOM 654 ND1 HIS A 45 -4.026 3.018 12.751 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.558 3.773 10.724 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.181 3.249 12.103 1.00 0.00 C ATOM 657 NE2 HIS A 45 -4.949 3.713 10.864 1.00 0.00 N ATOM 0 H HIS A 45 0.698 2.616 12.668 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.638 1.033 12.213 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.335 3.373 13.222 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.978 3.949 11.606 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.928 2.659 13.701 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.021 4.094 9.844 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.163 3.084 12.522 1.00 0.00 H new ATOM 664 N LEU A 46 -0.035 1.878 9.524 1.00 0.00 N ATOM 665 CA LEU A 46 0.091 1.441 8.135 1.00 0.00 C ATOM 666 C LEU A 46 0.500 -0.028 8.098 1.00 0.00 C ATOM 667 O LEU A 46 0.011 -0.801 7.282 1.00 0.00 O ATOM 668 CB LEU A 46 1.149 2.289 7.408 1.00 0.00 C ATOM 669 CG LEU A 46 0.797 3.778 7.296 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.015 4.561 6.799 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.354 3.987 6.315 1.00 0.00 C ATOM 0 H LEU A 46 0.730 2.469 9.850 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.869 1.566 7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.099 2.191 7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.295 1.886 6.406 1.00 0.00 H new ATOM 0 HG LEU A 46 0.498 4.133 8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.761 5.618 6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.839 4.437 7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.314 4.186 5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.588 5.050 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.065 3.618 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.232 3.443 6.663 1.00 0.00 H new ATOM 682 N ARG A 47 1.398 -0.411 9.000 1.00 0.00 N ATOM 683 CA ARG A 47 2.058 -1.711 9.009 1.00 0.00 C ATOM 684 C ARG A 47 1.059 -2.839 9.276 1.00 0.00 C ATOM 685 O ARG A 47 1.047 -3.870 8.616 1.00 0.00 O ATOM 686 CB ARG A 47 3.117 -1.638 10.099 1.00 0.00 C ATOM 687 CG ARG A 47 4.046 -2.851 10.146 1.00 0.00 C ATOM 688 CD ARG A 47 5.396 -2.387 9.625 1.00 0.00 C ATOM 689 NE ARG A 47 6.036 -1.476 10.596 1.00 0.00 N ATOM 690 CZ ARG A 47 7.191 -0.820 10.471 1.00 0.00 C ATOM 691 NH1 ARG A 47 7.968 -0.988 9.413 1.00 0.00 N ATOM 692 NH2 ARG A 47 7.553 0.002 11.438 1.00 0.00 N ATOM 0 H ARG A 47 1.695 0.192 9.767 1.00 0.00 H new ATOM 0 HA ARG A 47 2.506 -1.933 8.040 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.716 -0.740 9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.623 -1.534 11.065 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.134 -3.232 11.163 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.653 -3.663 9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.040 -3.248 9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.269 -1.879 8.669 1.00 0.00 H new ATOM 0 HE ARG A 47 5.532 -1.330 11.471 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.688 -1.630 8.671 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.847 -0.476 9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.955 0.123 12.255 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.431 0.516 11.368 1.00 0.00 H new ATOM 703 N GLU A 48 0.201 -2.573 10.251 1.00 0.00 N ATOM 704 CA GLU A 48 -0.994 -3.338 10.609 1.00 0.00 C ATOM 705 C GLU A 48 -1.793 -3.773 9.366 1.00 0.00 C ATOM 706 O GLU A 48 -2.145 -4.939 9.204 1.00 0.00 O ATOM 707 CB GLU A 48 -1.852 -2.458 11.533 1.00 0.00 C ATOM 708 CG GLU A 48 -3.055 -3.197 12.143 1.00 0.00 C ATOM 709 CD GLU A 48 -2.657 -4.137 13.276 1.00 0.00 C ATOM 710 OE1 GLU A 48 -2.521 -3.623 14.406 1.00 0.00 O ATOM 711 OE2 GLU A 48 -2.505 -5.343 12.992 1.00 0.00 O ATOM 0 H GLU A 48 0.327 -1.762 10.857 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.700 -4.256 11.118 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.226 -2.073 12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.212 -1.597 10.970 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.773 -2.467 12.518 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.559 -3.768 11.363 1.00 0.00 H new ATOM 716 N GLN A 49 -2.065 -2.823 8.464 1.00 0.00 N ATOM 717 CA GLN A 49 -2.733 -3.098 7.193 1.00 0.00 C ATOM 718 C GLN A 49 -1.786 -3.746 6.179 1.00 0.00 C ATOM 719 O GLN A 49 -2.187 -4.589 5.379 1.00 0.00 O ATOM 720 CB GLN A 49 -3.197 -1.782 6.561 1.00 0.00 C ATOM 721 CG GLN A 49 -4.317 -1.037 7.284 1.00 0.00 C ATOM 722 CD GLN A 49 -5.604 -1.834 7.468 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.199 -1.799 8.536 1.00 0.00 O ATOM 724 NE2 GLN A 49 -6.087 -2.545 6.458 1.00 0.00 N ATOM 0 H GLN A 49 -1.826 -1.840 8.598 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.563 -3.769 7.414 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.337 -1.117 6.487 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.527 -1.990 5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.954 -0.729 8.265 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.546 -0.128 6.729 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.588 -2.572 5.569 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.957 -3.065 6.571 1.00 0.00 H new ATOM 731 N ALA A 50 -0.547 -3.257 6.168 1.00 0.00 N ATOM 732 CA ALA A 50 0.442 -3.504 5.139 1.00 0.00 C ATOM 733 C ALA A 50 0.582 -4.959 4.692 1.00 0.00 C ATOM 734 O ALA A 50 0.426 -5.917 5.449 1.00 0.00 O ATOM 735 CB ALA A 50 1.812 -3.001 5.598 1.00 0.00 C ATOM 0 H ALA A 50 -0.197 -2.653 6.912 1.00 0.00 H new ATOM 0 HA ALA A 50 0.074 -2.957 4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.549 -3.191 4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.759 -1.930 5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.105 -3.523 6.509 1.00 0.00 H new ATOM 741 N GLY A 51 0.925 -5.100 3.417 1.00 0.00 N ATOM 742 CA GLY A 51 0.910 -6.373 2.707 1.00 0.00 C ATOM 743 C GLY A 51 -0.326 -6.484 1.811 1.00 0.00 C ATOM 744 O GLY A 51 -0.448 -7.417 1.020 1.00 0.00 O ATOM 0 H GLY A 51 1.227 -4.317 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.812 -6.467 2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.919 -7.194 3.424 1.00 0.00 H new ATOM 748 N GLY A 52 -1.227 -5.502 1.918 1.00 0.00 N ATOM 749 CA GLY A 52 -2.339 -5.288 1.018 1.00 0.00 C ATOM 750 C GLY A 52 -3.386 -4.374 1.656 1.00 0.00 C ATOM 751 O GLY A 52 -3.096 -3.696 2.636 1.00 0.00 O ATOM 0 H GLY A 52 -1.190 -4.812 2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.981 -4.845 0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.793 -6.245 0.760 1.00 0.00 H new ATOM 755 N ASP A 53 -4.553 -4.308 1.013 1.00 0.00 N ATOM 756 CA ASP A 53 -5.797 -3.651 1.380 1.00 0.00 C ATOM 757 C ASP A 53 -5.743 -2.802 2.647 1.00 0.00 C ATOM 758 O ASP A 53 -5.718 -3.265 3.789 1.00 0.00 O ATOM 759 CB ASP A 53 -7.018 -4.571 1.331 1.00 0.00 C ATOM 760 CG ASP A 53 -8.315 -3.753 1.275 1.00 0.00 C ATOM 761 OD1 ASP A 53 -8.249 -2.511 1.459 1.00 0.00 O ATOM 762 OD2 ASP A 53 -9.356 -4.388 1.014 1.00 0.00 O ATOM 0 H ASP A 53 -4.654 -4.774 0.111 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.933 -2.923 0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.955 -5.221 0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.028 -5.217 2.209 1.00 0.00 H new ATOM 766 N ALA A 54 -5.755 -1.511 2.381 1.00 0.00 N ATOM 767 CA ALA A 54 -5.876 -0.481 3.377 1.00 0.00 C ATOM 768 C ALA A 54 -6.811 0.589 2.830 1.00 0.00 C ATOM 769 O ALA A 54 -6.761 1.736 3.258 1.00 0.00 O ATOM 770 CB ALA A 54 -4.449 -0.031 3.665 1.00 0.00 C ATOM 0 H ALA A 54 -5.678 -1.145 1.432 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.322 -0.790 4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.461 0.757 4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.868 -0.877 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.996 0.350 2.750 1.00 0.00 H new ATOM 776 N THR A 55 -7.691 0.202 1.898 1.00 0.00 N ATOM 777 CA THR A 55 -8.647 1.102 1.272 1.00 0.00 C ATOM 778 C THR A 55 -9.655 1.573 2.305 1.00 0.00 C ATOM 779 O THR A 55 -9.829 2.774 2.497 1.00 0.00 O ATOM 780 CB THR A 55 -9.329 0.384 0.100 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.555 0.521 -1.063 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.648 1.038 -0.265 1.00 0.00 C ATOM 0 H THR A 55 -7.754 -0.758 1.559 1.00 0.00 H new ATOM 0 HA THR A 55 -8.136 1.981 0.879 1.00 0.00 H new ATOM 0 HB THR A 55 -9.460 -0.651 0.417 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.458 1.471 -1.282 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.101 0.502 -1.099 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.319 1.008 0.594 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.473 2.075 -0.552 1.00 0.00 H new ATOM 790 N GLU A 56 -10.291 0.622 2.992 1.00 0.00 N ATOM 791 CA GLU A 56 -11.225 0.939 4.057 1.00 0.00 C ATOM 792 C GLU A 56 -10.544 1.854 5.079 1.00 0.00 C ATOM 793 O GLU A 56 -10.981 2.977 5.304 1.00 0.00 O ATOM 794 CB GLU A 56 -11.750 -0.373 4.653 1.00 0.00 C ATOM 795 CG GLU A 56 -12.846 -0.128 5.701 1.00 0.00 C ATOM 796 CD GLU A 56 -13.490 -1.433 6.153 1.00 0.00 C ATOM 797 OE1 GLU A 56 -12.855 -2.119 6.981 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.593 -1.726 5.643 1.00 0.00 O ATOM 0 H GLU A 56 -10.171 -0.377 2.823 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.088 1.490 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.145 -1.002 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.925 -0.919 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.419 0.385 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.609 0.530 5.284 1.00 0.00 H new ATOM 803 N ASN A 57 -9.390 1.438 5.609 1.00 0.00 N ATOM 804 CA ASN A 57 -8.679 2.231 6.607 1.00 0.00 C ATOM 805 C ASN A 57 -8.236 3.616 6.073 1.00 0.00 C ATOM 806 O ASN A 57 -8.245 4.599 6.811 1.00 0.00 O ATOM 807 CB ASN A 57 -7.542 1.392 7.223 1.00 0.00 C ATOM 808 CG ASN A 57 -7.791 1.133 8.708 1.00 0.00 C ATOM 809 OD1 ASN A 57 -8.620 0.307 9.059 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.118 1.823 9.620 1.00 0.00 N ATOM 0 H ASN A 57 -8.933 0.560 5.363 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.368 2.479 7.414 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.459 0.443 6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.592 1.912 7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.293 1.663 10.612 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.425 2.513 9.329 1.00 0.00 H new ATOM 816 N PHE A 58 -7.889 3.718 4.785 1.00 0.00 N ATOM 817 CA PHE A 58 -7.536 4.971 4.104 1.00 0.00 C ATOM 818 C PHE A 58 -8.714 5.926 3.823 1.00 0.00 C ATOM 819 O PHE A 58 -8.457 7.104 3.560 1.00 0.00 O ATOM 820 CB PHE A 58 -6.833 4.626 2.783 1.00 0.00 C ATOM 821 CG PHE A 58 -6.346 5.789 1.937 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.328 6.629 2.425 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.746 5.896 0.590 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.670 7.524 1.562 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.047 6.744 -0.287 1.00 0.00 C ATOM 826 CZ PHE A 58 -4.991 7.540 0.194 1.00 0.00 C ATOM 0 H PHE A 58 -7.844 2.907 4.168 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.888 5.515 4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.977 3.991 3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.519 4.032 2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.050 6.586 3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.590 5.326 0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.920 8.197 1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.321 6.784 -1.331 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.428 8.162 -0.487 1.00 0.00 H new ATOM 835 N GLU A 59 -9.965 5.437 3.838 1.00 0.00 N ATOM 836 CA GLU A 59 -11.190 6.107 3.390 1.00 0.00 C ATOM 837 C GLU A 59 -12.199 6.342 4.538 1.00 0.00 C ATOM 838 O GLU A 59 -12.761 7.428 4.646 1.00 0.00 O ATOM 839 CB GLU A 59 -11.796 5.303 2.229 1.00 0.00 C ATOM 840 CG GLU A 59 -12.749 6.146 1.356 1.00 0.00 C ATOM 841 CD GLU A 59 -12.031 7.039 0.348 1.00 0.00 C ATOM 842 OE1 GLU A 59 -11.551 8.123 0.754 1.00 0.00 O ATOM 843 OE2 GLU A 59 -11.925 6.624 -0.823 1.00 0.00 O ATOM 0 H GLU A 59 -10.157 4.498 4.188 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.935 7.106 3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.993 4.909 1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.338 4.447 2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.423 5.478 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.366 6.768 2.004 1.00 0.00 H new ATOM 848 N ASP A 60 -12.399 5.349 5.416 1.00 0.00 N ATOM 849 CA ASP A 60 -13.167 5.447 6.658 1.00 0.00 C ATOM 850 C ASP A 60 -12.620 6.581 7.541 1.00 0.00 C ATOM 851 O ASP A 60 -13.293 7.584 7.773 1.00 0.00 O ATOM 852 CB ASP A 60 -13.107 4.084 7.364 1.00 0.00 C ATOM 853 CG ASP A 60 -13.804 4.129 8.713 1.00 0.00 C ATOM 854 OD1 ASP A 60 -15.047 4.016 8.715 1.00 0.00 O ATOM 855 OD2 ASP A 60 -13.072 4.301 9.710 1.00 0.00 O ATOM 0 H ASP A 60 -12.012 4.417 5.270 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.208 5.692 6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.575 3.326 6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.067 3.788 7.500 1.00 0.00 H new ATOM 859 N VAL A 61 -11.365 6.441 7.984 1.00 0.00 N ATOM 860 CA VAL A 61 -10.621 7.544 8.592 1.00 0.00 C ATOM 861 C VAL A 61 -10.557 8.672 7.558 1.00 0.00 C ATOM 862 O VAL A 61 -10.859 9.828 7.845 1.00 0.00 O ATOM 863 CB VAL A 61 -9.201 7.087 8.976 1.00 0.00 C ATOM 864 CG1 VAL A 61 -8.381 8.253 9.543 1.00 0.00 C ATOM 865 CG2 VAL A 61 -9.234 5.947 10.002 1.00 0.00 C ATOM 0 H VAL A 61 -10.843 5.567 7.931 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.114 7.884 9.503 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.728 6.724 8.063 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.383 7.902 9.806 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.303 9.041 8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.873 8.645 10.433 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.215 5.650 10.249 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.743 6.285 10.905 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.768 5.095 9.582 1.00 0.00 H new ATOM 875 N GLY A 62 -10.194 8.288 6.329 1.00 0.00 N ATOM 876 CA GLY A 62 -10.268 9.150 5.166 1.00 0.00 C ATOM 877 C GLY A 62 -9.152 10.195 5.130 1.00 0.00 C ATOM 878 O GLY A 62 -8.468 10.430 6.124 1.00 0.00 O ATOM 0 H GLY A 62 -9.837 7.355 6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.218 8.540 4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.233 9.656 5.155 1.00 0.00 H new ATOM 882 N HIS A 63 -8.901 10.750 3.943 1.00 0.00 N ATOM 883 CA HIS A 63 -7.715 11.559 3.685 1.00 0.00 C ATOM 884 CB HIS A 63 -6.611 10.631 3.175 1.00 0.00 C ATOM 885 CG HIS A 63 -5.957 9.786 4.226 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.474 8.661 4.819 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.686 9.958 4.688 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.537 8.185 5.654 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.410 8.921 5.582 1.00 0.00 N ATOM 0 H HIS A 63 -9.516 10.650 3.135 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.032 9.975 2.413 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.846 11.235 2.688 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.398 8.261 4.656 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.012 10.755 4.412 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.668 7.327 6.297 1.00 0.00 H new ATOM 896 N SER A 64 -7.233 13.761 2.762 1.00 0.00 N ATOM 897 CA SER A 64 -7.324 14.906 1.861 1.00 0.00 C ATOM 898 C SER A 64 -6.840 14.590 0.438 1.00 0.00 C ATOM 899 O SER A 64 -6.057 13.666 0.209 1.00 0.00 O ATOM 900 CB SER A 64 -6.515 16.067 2.454 1.00 0.00 C ATOM 901 OG SER A 64 -7.114 16.504 3.657 1.00 0.00 O ATOM 0 HA SER A 64 -8.376 15.177 1.771 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.490 15.749 2.643 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.467 16.890 1.741 1.00 0.00 H new ATOM 0 HG SER A 64 -7.551 15.746 4.099 1.00 0.00 H new ATOM 906 N THR A 65 -7.271 15.414 -0.523 1.00 0.00 N ATOM 907 CA THR A 65 -6.760 15.427 -1.895 1.00 0.00 C ATOM 908 C THR A 65 -5.235 15.362 -1.896 1.00 0.00 C ATOM 909 O THR A 65 -4.674 14.456 -2.502 1.00 0.00 O ATOM 910 CB THR A 65 -7.219 16.713 -2.596 1.00 0.00 C ATOM 911 OG1 THR A 65 -6.928 17.813 -1.755 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.725 16.703 -2.865 1.00 0.00 C ATOM 0 H THR A 65 -8.003 16.107 -0.363 1.00 0.00 H new ATOM 0 HA THR A 65 -7.148 14.557 -2.425 1.00 0.00 H new ATOM 0 HB THR A 65 -6.696 16.786 -3.550 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.214 18.643 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.012 17.630 -3.362 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.975 15.856 -3.504 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.263 16.616 -1.921 1.00 0.00 H new ATOM 920 N ASP A 66 -4.588 16.275 -1.168 1.00 0.00 N ATOM 921 CA ASP A 66 -3.163 16.276 -0.839 1.00 0.00 C ATOM 922 C ASP A 66 -2.554 14.862 -0.744 1.00 0.00 C ATOM 923 O ASP A 66 -1.607 14.526 -1.450 1.00 0.00 O ATOM 924 CB ASP A 66 -3.017 17.033 0.487 1.00 0.00 C ATOM 925 CG ASP A 66 -1.585 17.008 0.995 1.00 0.00 C ATOM 926 OD1 ASP A 66 -1.266 16.035 1.712 1.00 0.00 O ATOM 927 OD2 ASP A 66 -0.845 17.947 0.640 1.00 0.00 O ATOM 0 H ASP A 66 -5.074 17.079 -0.770 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.608 16.761 -1.642 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.337 18.066 0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.676 16.589 1.234 1.00 0.00 H new ATOM 931 N ALA A 67 -3.140 14.006 0.093 1.00 0.00 N ATOM 932 CA ALA A 67 -2.641 12.664 0.359 1.00 0.00 C ATOM 933 C ALA A 67 -2.827 11.734 -0.849 1.00 0.00 C ATOM 934 O ALA A 67 -1.967 10.916 -1.173 1.00 0.00 O ATOM 935 CB ALA A 67 -3.370 12.123 1.588 1.00 0.00 C ATOM 0 H ALA A 67 -3.988 14.233 0.612 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.568 12.707 0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.014 11.117 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.175 12.772 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.442 12.093 1.392 1.00 0.00 H new ATOM 941 N ARG A 68 -3.957 11.858 -1.542 1.00 0.00 N ATOM 942 CA ARG A 68 -4.249 11.065 -2.730 1.00 0.00 C ATOM 943 C ARG A 68 -3.319 11.483 -3.880 1.00 0.00 C ATOM 944 O ARG A 68 -2.737 10.637 -4.560 1.00 0.00 O ATOM 945 CB ARG A 68 -5.756 11.200 -3.048 1.00 0.00 C ATOM 946 CG ARG A 68 -6.634 10.198 -2.268 1.00 0.00 C ATOM 947 CD ARG A 68 -6.947 10.637 -0.828 1.00 0.00 C ATOM 948 NE ARG A 68 -7.439 9.518 0.007 1.00 0.00 N ATOM 949 CZ ARG A 68 -8.699 9.128 0.240 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.725 9.581 -0.461 1.00 0.00 N ATOM 951 NH2 ARG A 68 -8.984 8.262 1.198 1.00 0.00 N ATOM 0 H ARG A 68 -4.697 12.514 -1.293 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.050 10.006 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.080 12.215 -2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.910 11.053 -4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.571 10.055 -2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.131 9.232 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.049 11.057 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.695 11.429 -0.847 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.717 8.966 0.470 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.572 10.254 -1.212 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.669 9.258 -0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.237 7.877 1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.951 7.979 1.358 1.00 0.00 H new ATOM 962 N GLU A 69 -3.107 12.790 -4.026 1.00 0.00 N ATOM 963 CA GLU A 69 -2.177 13.404 -4.957 1.00 0.00 C ATOM 964 C GLU A 69 -0.736 12.974 -4.648 1.00 0.00 C ATOM 965 O GLU A 69 0.007 12.564 -5.538 1.00 0.00 O ATOM 966 CB GLU A 69 -2.392 14.922 -4.876 1.00 0.00 C ATOM 967 CG GLU A 69 -1.587 15.715 -5.922 1.00 0.00 C ATOM 968 CD GLU A 69 -1.788 15.244 -7.353 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.934 14.923 -7.744 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.777 15.106 -8.077 1.00 0.00 O ATOM 0 H GLU A 69 -3.608 13.480 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.358 13.077 -5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.452 15.138 -5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.116 15.267 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.864 16.767 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.527 15.648 -5.675 1.00 0.00 H new ATOM 975 N LEU A 70 -0.368 12.983 -3.365 1.00 0.00 N ATOM 976 CA LEU A 70 0.914 12.496 -2.884 1.00 0.00 C ATOM 977 C LEU A 70 1.130 11.052 -3.301 1.00 0.00 C ATOM 978 O LEU A 70 2.181 10.685 -3.817 1.00 0.00 O ATOM 979 CB LEU A 70 1.003 12.557 -1.342 1.00 0.00 C ATOM 980 CG LEU A 70 2.339 12.029 -0.788 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.556 12.503 -1.571 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.577 12.486 0.647 1.00 0.00 C ATOM 0 H LEU A 70 -0.969 13.337 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 70 1.676 13.140 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.865 13.588 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.185 11.976 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 70 2.240 10.946 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.460 12.091 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.478 12.166 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.603 13.592 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.530 12.092 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.598 13.575 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.773 12.118 1.284 1.00 0.00 H new ATOM 993 N SER A 71 0.121 10.209 -3.092 1.00 0.00 N ATOM 994 CA SER A 71 0.324 8.782 -3.141 1.00 0.00 C ATOM 995 C SER A 71 0.792 8.246 -4.495 1.00 0.00 C ATOM 996 O SER A 71 1.325 7.142 -4.580 1.00 0.00 O ATOM 997 CB SER A 71 -0.937 8.094 -2.637 1.00 0.00 C ATOM 998 OG SER A 71 -1.944 8.118 -3.633 1.00 0.00 O ATOM 0 H SER A 71 -0.836 10.497 -2.889 1.00 0.00 H new ATOM 0 HA SER A 71 1.161 8.546 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.712 7.063 -2.363 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.296 8.592 -1.736 1.00 0.00 H new ATOM 0 HG SER A 71 -2.140 9.046 -3.878 1.00 0.00 H new ATOM 1003 N LYS A 72 0.690 9.060 -5.543 1.00 0.00 N ATOM 1004 CA LYS A 72 1.341 8.777 -6.824 1.00 0.00 C ATOM 1005 C LYS A 72 2.824 8.421 -6.615 1.00 0.00 C ATOM 1006 O LYS A 72 3.336 7.485 -7.221 1.00 0.00 O ATOM 1007 CB LYS A 72 1.212 9.987 -7.755 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.253 10.397 -7.907 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.377 11.604 -8.843 1.00 0.00 C ATOM 1010 CE LYS A 72 -1.848 12.021 -8.960 1.00 0.00 C ATOM 1011 NZ LYS A 72 -1.975 13.369 -9.546 1.00 0.00 N ATOM 0 H LYS A 72 0.158 9.930 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 72 0.846 7.921 -7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.789 10.822 -7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.631 9.747 -8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.832 9.562 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.672 10.642 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.217 12.435 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.019 11.355 -9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.385 11.301 -9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.313 12.005 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.760 13.874 -9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.091 13.896 -9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.164 13.288 -10.565 1.00 0.00 H new ATOM 1021 N THR A 73 3.492 9.142 -5.704 1.00 0.00 N ATOM 1022 CA THR A 73 4.893 8.891 -5.322 1.00 0.00 C ATOM 1023 C THR A 73 5.130 7.703 -4.387 1.00 0.00 C ATOM 1024 O THR A 73 6.276 7.360 -4.105 1.00 0.00 O ATOM 1025 CB THR A 73 5.565 10.144 -4.735 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.951 10.041 -4.975 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.404 10.299 -3.214 1.00 0.00 C ATOM 0 H THR A 73 3.072 9.926 -5.204 1.00 0.00 H new ATOM 0 HA THR A 73 5.357 8.621 -6.271 1.00 0.00 H new ATOM 0 HB THR A 73 5.085 10.999 -5.211 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.238 9.114 -4.841 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.908 11.208 -2.886 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.345 10.361 -2.965 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.845 9.438 -2.712 1.00 0.00 H new ATOM 1035 N PHE A 74 4.051 7.122 -3.878 1.00 0.00 N ATOM 1036 CA PHE A 74 4.010 5.998 -2.951 1.00 0.00 C ATOM 1037 C PHE A 74 3.617 4.712 -3.668 1.00 0.00 C ATOM 1038 O PHE A 74 3.935 3.610 -3.224 1.00 0.00 O ATOM 1039 CB PHE A 74 2.986 6.365 -1.892 1.00 0.00 C ATOM 1040 CG PHE A 74 3.427 7.382 -0.858 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.747 7.880 -0.783 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.490 7.765 0.109 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.097 8.804 0.216 1.00 0.00 C ATOM 1044 CE2 PHE A 74 2.855 8.644 1.134 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.129 9.220 1.142 1.00 0.00 C ATOM 0 H PHE A 74 3.115 7.447 -4.119 1.00 0.00 H new ATOM 0 HA PHE A 74 4.989 5.815 -2.508 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.098 6.749 -2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.690 5.454 -1.372 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.489 7.550 -1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.482 7.380 0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.104 9.191 0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.152 8.878 1.920 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.368 9.987 1.863 1.00 0.00 H new ATOM 1054 N ILE A 75 2.890 4.855 -4.769 1.00 0.00 N ATOM 1055 CA ILE A 75 2.479 3.742 -5.589 1.00 0.00 C ATOM 1056 C ILE A 75 3.655 3.073 -6.286 1.00 0.00 C ATOM 1057 O ILE A 75 4.629 3.710 -6.681 1.00 0.00 O ATOM 1058 CB ILE A 75 1.453 4.247 -6.617 1.00 0.00 C ATOM 1059 CG1 ILE A 75 0.098 4.226 -5.912 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.410 3.464 -7.939 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.024 4.578 -6.869 1.00 0.00 C ATOM 0 H ILE A 75 2.570 5.760 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 75 2.030 2.983 -4.948 1.00 0.00 H new ATOM 0 HB ILE A 75 1.744 5.248 -6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.079 3.238 -5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.106 4.932 -5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.655 3.898 -8.595 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.385 3.515 -8.424 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.159 2.423 -7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.976 4.555 -6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.858 5.577 -7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.046 3.856 -7.685 1.00 0.00 H new ATOM 1072 N ILE A 76 3.486 1.772 -6.496 1.00 0.00 N ATOM 1073 CA ILE A 76 4.342 0.955 -7.346 1.00 0.00 C ATOM 1074 C ILE A 76 3.565 0.366 -8.540 1.00 0.00 C ATOM 1075 O ILE A 76 4.145 0.117 -9.594 1.00 0.00 O ATOM 1076 CB ILE A 76 5.041 -0.110 -6.498 1.00 0.00 C ATOM 1077 CG1 ILE A 76 4.000 -1.018 -5.832 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.943 0.558 -5.448 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.704 -2.102 -5.013 1.00 0.00 C ATOM 0 H ILE A 76 2.727 1.242 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 76 5.115 1.584 -7.788 1.00 0.00 H new ATOM 0 HB ILE A 76 5.669 -0.726 -7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.349 -0.428 -5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.366 -1.477 -6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.435 -0.209 -4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.696 1.166 -5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.338 1.191 -4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.959 -2.744 -4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.336 -2.700 -5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.319 -1.635 -4.244 1.00 0.00 H new ATOM 1090 N GLY A 77 2.245 0.170 -8.401 1.00 0.00 N ATOM 1091 CA GLY A 77 1.368 -0.176 -9.516 1.00 0.00 C ATOM 1092 C GLY A 77 0.049 -0.788 -9.046 1.00 0.00 C ATOM 1093 O GLY A 77 -0.733 -0.080 -8.423 1.00 0.00 O ATOM 0 H GLY A 77 1.760 0.249 -7.507 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.162 0.718 -10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.879 -0.880 -10.173 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.202 -2.075 -9.324 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.485 -2.744 -9.071 1.00 0.00 C ATOM 1099 C GLU A 78 -1.337 -4.166 -8.524 1.00 0.00 C ATOM 1100 O GLU A 78 -0.323 -4.825 -8.734 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.310 -2.786 -10.359 1.00 0.00 C ATOM 1102 CG GLU A 78 -2.618 -1.389 -10.921 1.00 0.00 C ATOM 1103 CD GLU A 78 -3.812 -1.362 -11.865 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -4.260 -2.461 -12.272 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -4.296 -0.241 -12.120 1.00 0.00 O ATOM 0 H GLU A 78 0.496 -2.692 -9.739 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.989 -2.158 -8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.771 -3.363 -11.110 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.247 -3.309 -10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.805 -0.706 -10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.740 -1.017 -11.449 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.401 -4.677 -7.899 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.457 -6.012 -7.294 1.00 0.00 C ATOM 1112 C LEU A 79 -2.547 -7.176 -8.265 1.00 0.00 C ATOM 1113 O LEU A 79 -2.814 -8.293 -7.850 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.522 -6.012 -6.179 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.819 -6.809 -6.452 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.824 -8.000 -5.503 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.068 -5.975 -6.184 1.00 0.00 C ATOM 0 H LEU A 79 -3.273 -4.159 -7.797 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.484 -6.208 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.064 -6.408 -5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.796 -4.978 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.837 -7.110 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.726 -8.590 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.947 -8.619 -5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.802 -7.644 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.956 -6.573 -6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.077 -5.657 -5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.065 -5.097 -6.831 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.288 -6.910 -9.543 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.419 -7.844 -10.644 1.00 0.00 C ATOM 1130 C HIS A 80 -3.882 -8.126 -10.945 1.00 0.00 C ATOM 1131 O HIS A 80 -4.753 -8.057 -10.077 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.574 -9.082 -10.380 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.262 -10.009 -11.515 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.783 -11.244 -11.793 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.277 -9.772 -12.426 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.204 -11.674 -12.931 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.269 -10.810 -13.352 1.00 0.00 N ATOM 0 H HIS A 80 -1.966 -5.991 -9.847 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.024 -7.402 -11.559 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.626 -8.748 -9.959 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.078 -9.665 -9.609 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.387 -8.920 -12.429 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.459 -12.593 -13.437 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.324 -10.896 -14.178 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.226 -8.332 -12.216 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.570 -8.740 -12.522 1.00 0.00 C ATOM 1146 C PRO A 81 -5.788 -10.215 -12.230 1.00 0.00 C ATOM 1147 O PRO A 81 -6.939 -10.634 -12.258 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.744 -8.455 -14.000 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.352 -8.234 -14.592 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.394 -8.336 -13.413 1.00 0.00 C ATOM 0 HA PRO A 81 -6.296 -8.205 -11.910 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.243 -9.288 -14.495 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.369 -7.574 -14.150 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.124 -8.983 -15.350 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.280 -7.259 -15.074 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.799 -9.248 -13.471 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.695 -7.500 -13.405 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.732 -10.985 -11.927 1.00 0.00 N ATOM 1156 CA ASP A 82 -4.973 -12.430 -11.705 1.00 0.00 C ATOM 1157 C ASP A 82 -5.157 -12.728 -10.210 1.00 0.00 C ATOM 1158 O ASP A 82 -4.812 -13.797 -9.714 1.00 0.00 O ATOM 1159 CB ASP A 82 -3.931 -13.294 -12.438 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.432 -14.684 -12.809 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.522 -14.760 -13.415 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.675 -15.641 -12.547 1.00 0.00 O ATOM 0 H ASP A 82 -3.767 -10.668 -11.833 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.919 -12.719 -12.162 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.618 -12.777 -13.345 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.048 -13.393 -11.807 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.668 -11.718 -9.502 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.740 -11.655 -8.064 1.00 0.00 C ATOM 1168 C ASP A 83 -7.079 -11.015 -7.633 1.00 0.00 C ATOM 1169 O ASP A 83 -7.802 -11.554 -6.796 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.495 -10.843 -7.705 1.00 0.00 C ATOM 1171 CG ASP A 83 -3.966 -11.245 -6.351 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -4.770 -11.229 -5.398 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.761 -11.581 -6.302 1.00 0.00 O ATOM 0 H ASP A 83 -6.058 -10.889 -9.950 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.738 -12.615 -7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.725 -10.996 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.736 -9.780 -7.705 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.410 -9.877 -8.262 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.709 -9.202 -8.219 1.00 0.00 C ATOM 1179 C ARG A 84 -9.916 -10.127 -8.455 1.00 0.00 C ATOM 1180 O ARG A 84 -10.923 -9.932 -7.738 1.00 0.00 O ATOM 1181 CB ARG A 84 -8.712 -8.118 -9.307 1.00 0.00 C ATOM 1182 CG ARG A 84 -7.866 -6.920 -8.886 1.00 0.00 C ATOM 1183 CD ARG A 84 -7.761 -5.876 -10.001 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.454 -5.946 -10.687 1.00 0.00 N ATOM 1185 CZ ARG A 84 -5.829 -4.901 -11.248 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -6.343 -3.680 -11.241 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -4.657 -5.022 -11.847 1.00 0.00 N ATOM 1188 OXT ARG A 84 -9.851 -10.941 -9.404 1.00 0.00 O ATOM 0 H ARG A 84 -6.739 -9.378 -8.846 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.823 -8.800 -7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.326 -8.531 -10.239 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.735 -7.795 -9.501 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.302 -6.461 -7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.867 -7.259 -8.611 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.561 -6.033 -10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.900 -4.879 -9.582 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.994 -6.855 -10.737 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.246 -3.509 -10.798 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.836 -2.911 -11.679 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.199 -5.932 -11.893 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.210 -4.205 -12.263 1.00 0.00 H new