USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 753 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 41 HIS :FLIP no HD1:sc= -0.404 F(o=-1.5,f=-0.92) USER MOD Set 1.2: A 45 HIS :FLIP no HE2:sc= -0.517 F(o=-3,f=-0.92) USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.385 X(o=-0.39,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -2.47! C(o=-3.2!,f=-2.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -1.38! C(o=-2.1!,f=-1.4!) USER MOD Single : A 50 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -1.55! C(o=-2.8!,f=-1.5!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -147:sc= -7.15! (180deg=-11.6!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 70 GLN : amide:sc= -4.23! C(o=-4.2!,f=-8.3!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 75.531 -2.132 -13.379 1.00 0.00 N ATOM 37 CA THR A 3 74.968 -3.435 -13.814 1.00 0.00 C ATOM 38 C THR A 3 73.510 -3.244 -14.248 1.00 0.00 C ATOM 39 O THR A 3 73.071 -2.142 -14.512 1.00 0.00 O ATOM 40 CB THR A 3 75.084 -4.459 -12.664 1.00 0.00 C ATOM 41 OG1 THR A 3 75.427 -5.726 -13.206 1.00 0.00 O ATOM 42 CG2 THR A 3 73.768 -4.587 -11.883 1.00 0.00 C ATOM 0 HA THR A 3 75.529 -3.818 -14.666 1.00 0.00 H new ATOM 0 HB THR A 3 75.854 -4.111 -11.975 1.00 0.00 H new ATOM 0 HG1 THR A 3 75.504 -6.382 -12.482 1.00 0.00 H new ATOM 0 HG21 THR A 3 73.890 -5.317 -11.082 1.00 0.00 H new ATOM 0 HG22 THR A 3 73.503 -3.620 -11.456 1.00 0.00 H new ATOM 0 HG23 THR A 3 72.976 -4.915 -12.556 1.00 0.00 H new ATOM 50 N LYS A 4 72.761 -4.310 -14.324 1.00 0.00 N ATOM 51 CA LYS A 4 71.333 -4.197 -14.740 1.00 0.00 C ATOM 52 C LYS A 4 70.697 -2.974 -14.075 1.00 0.00 C ATOM 53 O LYS A 4 70.687 -1.891 -14.626 1.00 0.00 O ATOM 54 CB LYS A 4 70.577 -5.458 -14.317 1.00 0.00 C ATOM 55 CG LYS A 4 69.075 -5.237 -14.494 1.00 0.00 C ATOM 56 CD LYS A 4 68.507 -6.309 -15.425 1.00 0.00 C ATOM 57 CE LYS A 4 67.621 -7.264 -14.623 1.00 0.00 C ATOM 58 NZ LYS A 4 66.644 -7.922 -15.536 1.00 0.00 N ATOM 0 H LYS A 4 73.077 -5.257 -14.115 1.00 0.00 H new ATOM 0 HA LYS A 4 71.281 -4.087 -15.823 1.00 0.00 H new ATOM 0 HB2 LYS A 4 70.903 -6.308 -14.916 1.00 0.00 H new ATOM 0 HB3 LYS A 4 70.800 -5.697 -13.277 1.00 0.00 H new ATOM 0 HG2 LYS A 4 68.574 -5.278 -13.527 1.00 0.00 H new ATOM 0 HG3 LYS A 4 68.889 -4.246 -14.907 1.00 0.00 H new ATOM 0 HD2 LYS A 4 67.929 -5.843 -16.223 1.00 0.00 H new ATOM 0 HD3 LYS A 4 69.318 -6.861 -15.899 1.00 0.00 H new ATOM 0 HE2 LYS A 4 68.235 -8.016 -14.127 1.00 0.00 H new ATOM 0 HE3 LYS A 4 67.093 -6.717 -13.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 66.042 -8.571 -14.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 66.051 -7.198 -15.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 67.157 -8.457 -16.266 1.00 0.00 H new ATOM 72 N GLU A 5 70.160 -3.136 -12.896 1.00 0.00 N ATOM 73 CA GLU A 5 69.524 -1.984 -12.206 1.00 0.00 C ATOM 74 C GLU A 5 70.551 -1.259 -11.351 1.00 0.00 C ATOM 75 O GLU A 5 70.224 -0.494 -10.467 1.00 0.00 O ATOM 76 CB GLU A 5 68.387 -2.481 -11.320 1.00 0.00 C ATOM 77 CG GLU A 5 67.047 -2.024 -11.898 1.00 0.00 C ATOM 78 CD GLU A 5 65.904 -2.689 -11.128 1.00 0.00 C ATOM 79 OE1 GLU A 5 66.192 -3.522 -10.284 1.00 0.00 O ATOM 80 OE2 GLU A 5 64.762 -2.355 -11.395 1.00 0.00 O ATOM 0 H GLU A 5 70.136 -4.017 -12.383 1.00 0.00 H new ATOM 0 HA GLU A 5 69.130 -1.296 -12.954 1.00 0.00 H new ATOM 0 HB2 GLU A 5 68.414 -3.569 -11.253 1.00 0.00 H new ATOM 0 HB3 GLU A 5 68.507 -2.097 -10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 5 66.961 -0.939 -11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 5 66.987 -2.284 -12.955 1.00 0.00 H new ATOM 87 N GLU A 6 71.790 -1.490 -11.623 1.00 0.00 N ATOM 88 CA GLU A 6 72.866 -0.817 -10.852 1.00 0.00 C ATOM 89 C GLU A 6 73.209 0.509 -11.510 1.00 0.00 C ATOM 90 O GLU A 6 74.084 1.235 -11.081 1.00 0.00 O ATOM 91 CB GLU A 6 74.101 -1.707 -10.823 1.00 0.00 C ATOM 92 CG GLU A 6 73.989 -2.703 -9.668 1.00 0.00 C ATOM 93 CD GLU A 6 73.862 -1.943 -8.347 1.00 0.00 C ATOM 94 OE1 GLU A 6 74.881 -1.509 -7.836 1.00 0.00 O ATOM 95 OE2 GLU A 6 72.748 -1.808 -7.868 1.00 0.00 O ATOM 0 H GLU A 6 72.114 -2.123 -12.354 1.00 0.00 H new ATOM 0 HA GLU A 6 72.525 -0.637 -9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 6 74.199 -2.241 -11.768 1.00 0.00 H new ATOM 0 HB3 GLU A 6 74.998 -1.098 -10.706 1.00 0.00 H new ATOM 0 HG2 GLU A 6 73.122 -3.348 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 6 74.867 -3.349 -9.645 1.00 0.00 H new ATOM 102 N LYS A 7 72.514 0.817 -12.550 1.00 0.00 N ATOM 103 CA LYS A 7 72.755 2.087 -13.277 1.00 0.00 C ATOM 104 C LYS A 7 71.421 2.785 -13.564 1.00 0.00 C ATOM 105 O LYS A 7 71.389 3.894 -14.060 1.00 0.00 O ATOM 106 CB LYS A 7 73.472 1.791 -14.596 1.00 0.00 C ATOM 107 CG LYS A 7 74.978 1.686 -14.348 1.00 0.00 C ATOM 108 CD LYS A 7 75.653 3.003 -14.737 1.00 0.00 C ATOM 109 CE LYS A 7 76.318 2.851 -16.107 1.00 0.00 C ATOM 110 NZ LYS A 7 75.425 3.416 -17.157 1.00 0.00 N ATOM 0 H LYS A 7 71.773 0.235 -12.940 1.00 0.00 H new ATOM 0 HA LYS A 7 73.375 2.740 -12.663 1.00 0.00 H new ATOM 0 HB2 LYS A 7 73.098 0.861 -15.024 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.266 2.580 -15.319 1.00 0.00 H new ATOM 0 HG2 LYS A 7 75.170 1.463 -13.298 1.00 0.00 H new ATOM 0 HG3 LYS A 7 75.397 0.865 -14.930 1.00 0.00 H new ATOM 0 HD2 LYS A 7 74.917 3.807 -14.765 1.00 0.00 H new ATOM 0 HD3 LYS A 7 76.396 3.278 -13.989 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.279 3.366 -16.116 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.518 1.799 -16.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.876 3.313 -18.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.519 2.906 -17.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.256 4.424 -16.964 1.00 0.00 H new ATOM 124 N GLN A 8 70.319 2.151 -13.259 1.00 0.00 N ATOM 125 CA GLN A 8 68.999 2.791 -13.520 1.00 0.00 C ATOM 126 C GLN A 8 68.984 4.196 -12.914 1.00 0.00 C ATOM 127 O GLN A 8 68.382 5.106 -13.449 1.00 0.00 O ATOM 128 CB GLN A 8 67.890 1.949 -12.884 1.00 0.00 C ATOM 129 CG GLN A 8 68.373 1.399 -11.541 1.00 0.00 C ATOM 130 CD GLN A 8 67.372 1.773 -10.446 1.00 0.00 C ATOM 131 OE1 GLN A 8 67.678 2.559 -9.570 1.00 0.00 O ATOM 132 NE2 GLN A 8 66.182 1.239 -10.457 1.00 0.00 N ATOM 0 H GLN A 8 70.277 1.221 -12.842 1.00 0.00 H new ATOM 0 HA GLN A 8 68.834 2.858 -14.595 1.00 0.00 H new ATOM 0 HB2 GLN A 8 66.996 2.555 -12.740 1.00 0.00 H new ATOM 0 HB3 GLN A 8 67.616 1.129 -13.547 1.00 0.00 H new ATOM 0 HG2 GLN A 8 68.479 0.316 -11.597 1.00 0.00 H new ATOM 0 HG3 GLN A 8 69.357 1.804 -11.303 1.00 0.00 H new ATOM 0 HE21 GLN A 8 65.926 0.580 -11.192 1.00 0.00 H new ATOM 0 HE22 GLN A 8 65.508 1.481 -9.731 1.00 0.00 H new ATOM 141 N LYS A 9 69.643 4.378 -11.802 1.00 0.00 N ATOM 142 CA LYS A 9 69.669 5.722 -11.161 1.00 0.00 C ATOM 143 C LYS A 9 70.455 5.647 -9.852 1.00 0.00 C ATOM 144 O LYS A 9 70.115 6.283 -8.874 1.00 0.00 O ATOM 145 CB LYS A 9 68.237 6.179 -10.871 1.00 0.00 C ATOM 146 CG LYS A 9 68.184 7.708 -10.846 1.00 0.00 C ATOM 147 CD LYS A 9 67.008 8.192 -11.696 1.00 0.00 C ATOM 148 CE LYS A 9 67.265 9.629 -12.155 1.00 0.00 C ATOM 149 NZ LYS A 9 67.653 9.629 -13.594 1.00 0.00 N ATOM 0 H LYS A 9 70.165 3.653 -11.310 1.00 0.00 H new ATOM 0 HA LYS A 9 70.148 6.435 -11.833 1.00 0.00 H new ATOM 0 HB2 LYS A 9 67.560 5.794 -11.633 1.00 0.00 H new ATOM 0 HB3 LYS A 9 67.902 5.777 -9.915 1.00 0.00 H new ATOM 0 HG2 LYS A 9 68.075 8.062 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 9 69.117 8.121 -11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.879 7.541 -12.560 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.085 8.143 -11.119 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.370 10.234 -12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 9 68.056 10.078 -11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 67.828 10.605 -13.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 68.518 9.065 -13.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 66.885 9.217 -14.161 1.00 0.00 H new ATOM 163 N VAL A 10 71.504 4.870 -9.824 1.00 0.00 N ATOM 164 CA VAL A 10 72.307 4.751 -8.581 1.00 0.00 C ATOM 165 C VAL A 10 73.206 5.978 -8.434 1.00 0.00 C ATOM 166 O VAL A 10 73.027 6.792 -7.550 1.00 0.00 O ATOM 167 CB VAL A 10 73.173 3.492 -8.652 1.00 0.00 C ATOM 168 CG1 VAL A 10 74.134 3.464 -7.462 1.00 0.00 C ATOM 169 CG2 VAL A 10 72.274 2.254 -8.608 1.00 0.00 C ATOM 0 H VAL A 10 71.837 4.313 -10.611 1.00 0.00 H new ATOM 0 HA VAL A 10 71.638 4.686 -7.723 1.00 0.00 H new ATOM 0 HB VAL A 10 73.745 3.496 -9.580 1.00 0.00 H new ATOM 0 HG11 VAL A 10 74.751 2.567 -7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 10 74.774 4.346 -7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 10 73.563 3.459 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 10 72.889 1.356 -8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 10 71.704 2.251 -7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 10 71.588 2.272 -9.455 1.00 0.00 H new ATOM 179 N ILE A 11 74.173 6.112 -9.295 1.00 0.00 N ATOM 180 CA ILE A 11 75.090 7.277 -9.213 1.00 0.00 C ATOM 181 C ILE A 11 74.381 8.513 -9.741 1.00 0.00 C ATOM 182 O ILE A 11 74.417 9.575 -9.155 1.00 0.00 O ATOM 183 CB ILE A 11 76.363 6.995 -10.028 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.270 7.504 -11.482 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.641 5.493 -10.035 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.465 6.529 -12.333 1.00 0.00 C ATOM 0 H ILE A 11 74.368 5.461 -10.055 1.00 0.00 H new ATOM 0 HA ILE A 11 75.375 7.449 -8.175 1.00 0.00 H new ATOM 0 HB ILE A 11 77.177 7.537 -9.547 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.800 8.487 -11.501 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.271 7.621 -11.898 1.00 0.00 H new ATOM 0 HG21 ILE A 11 77.543 5.293 -10.613 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.780 5.144 -9.012 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.798 4.969 -10.486 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.408 6.901 -13.356 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.952 5.554 -12.328 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.459 6.434 -11.924 1.00 0.00 H new ATOM 198 N GLN A 12 73.744 8.360 -10.852 1.00 0.00 N ATOM 199 CA GLN A 12 73.002 9.499 -11.475 1.00 0.00 C ATOM 200 C GLN A 12 72.349 10.312 -10.361 1.00 0.00 C ATOM 201 O GLN A 12 72.278 11.524 -10.409 1.00 0.00 O ATOM 202 CB GLN A 12 71.922 8.957 -12.416 1.00 0.00 C ATOM 203 CG GLN A 12 72.496 8.824 -13.828 1.00 0.00 C ATOM 204 CD GLN A 12 72.171 10.085 -14.632 1.00 0.00 C ATOM 205 OE1 GLN A 12 72.301 11.255 -14.070 1.00 0.00 O flip ATOM 206 NE2 GLN A 12 71.793 10.004 -15.785 1.00 0.00 N flip ATOM 0 H GLN A 12 73.698 7.484 -11.373 1.00 0.00 H new ATOM 0 HA GLN A 12 73.686 10.125 -12.047 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.569 7.988 -12.062 1.00 0.00 H new ATOM 0 HB3 GLN A 12 71.062 9.626 -12.423 1.00 0.00 H new ATOM 0 HG2 GLN A 12 73.575 8.678 -13.781 1.00 0.00 H new ATOM 0 HG3 GLN A 12 72.077 7.947 -14.321 1.00 0.00 H new ATOM 0 HE21 GLN A 12 71.691 9.090 -16.225 1.00 0.00 H new ATOM 0 HE22 GLN A 12 71.578 10.851 -16.312 1.00 0.00 H new ATOM 215 N GLU A 13 71.905 9.638 -9.341 1.00 0.00 N ATOM 216 CA GLU A 13 71.290 10.336 -8.189 1.00 0.00 C ATOM 217 C GLU A 13 72.388 10.640 -7.168 1.00 0.00 C ATOM 218 O GLU A 13 72.399 11.677 -6.536 1.00 0.00 O ATOM 219 CB GLU A 13 70.224 9.442 -7.550 1.00 0.00 C ATOM 220 CG GLU A 13 69.175 10.313 -6.857 1.00 0.00 C ATOM 221 CD GLU A 13 68.987 9.838 -5.415 1.00 0.00 C ATOM 222 OE1 GLU A 13 69.872 10.084 -4.612 1.00 0.00 O ATOM 223 OE2 GLU A 13 67.963 9.236 -5.140 1.00 0.00 O ATOM 0 H GLU A 13 71.944 8.622 -9.258 1.00 0.00 H new ATOM 0 HA GLU A 13 70.818 11.261 -8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 13 69.751 8.821 -8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.685 8.767 -6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 13 69.489 11.357 -6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 13 68.229 10.258 -7.395 1.00 0.00 H new ATOM 230 N PHE A 14 73.316 9.732 -7.011 1.00 0.00 N ATOM 231 CA PHE A 14 74.423 9.942 -6.046 1.00 0.00 C ATOM 232 C PHE A 14 75.576 10.683 -6.727 1.00 0.00 C ATOM 233 O PHE A 14 75.865 11.820 -6.414 1.00 0.00 O ATOM 234 CB PHE A 14 74.916 8.587 -5.534 1.00 0.00 C ATOM 235 CG PHE A 14 74.050 8.136 -4.384 1.00 0.00 C ATOM 236 CD1 PHE A 14 72.721 7.763 -4.613 1.00 0.00 C ATOM 237 CD2 PHE A 14 74.576 8.091 -3.087 1.00 0.00 C ATOM 238 CE1 PHE A 14 71.916 7.345 -3.546 1.00 0.00 C ATOM 239 CE2 PHE A 14 73.772 7.674 -2.020 1.00 0.00 C ATOM 240 CZ PHE A 14 72.442 7.300 -2.249 1.00 0.00 C ATOM 0 H PHE A 14 73.350 8.847 -7.517 1.00 0.00 H new ATOM 0 HA PHE A 14 74.061 10.539 -5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.885 7.850 -6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.955 8.664 -5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 14 72.316 7.797 -5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 14 75.602 8.378 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 14 70.890 7.058 -3.723 1.00 0.00 H new ATOM 0 HE2 PHE A 14 74.177 7.641 -1.020 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.822 6.977 -1.426 1.00 0.00 H new ATOM 250 N ALA A 15 76.240 10.049 -7.657 1.00 0.00 N ATOM 251 CA ALA A 15 77.372 10.724 -8.348 1.00 0.00 C ATOM 252 C ALA A 15 76.872 11.990 -9.037 1.00 0.00 C ATOM 253 O ALA A 15 76.046 11.940 -9.927 1.00 0.00 O ATOM 254 CB ALA A 15 77.968 9.788 -9.401 1.00 0.00 C ATOM 0 H ALA A 15 76.047 9.096 -7.966 1.00 0.00 H new ATOM 0 HA ALA A 15 78.134 10.981 -7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 15 78.796 10.287 -9.904 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.330 8.881 -8.918 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.203 9.529 -10.132 1.00 0.00 H new ATOM 260 N ARG A 16 77.375 13.127 -8.647 1.00 0.00 N ATOM 261 CA ARG A 16 76.936 14.388 -9.298 1.00 0.00 C ATOM 262 C ARG A 16 77.904 14.717 -10.427 1.00 0.00 C ATOM 263 O ARG A 16 78.129 15.863 -10.761 1.00 0.00 O ATOM 264 CB ARG A 16 76.923 15.526 -8.275 1.00 0.00 C ATOM 265 CG ARG A 16 78.154 15.416 -7.373 1.00 0.00 C ATOM 266 CD ARG A 16 77.786 14.658 -6.096 1.00 0.00 C ATOM 267 NE ARG A 16 76.976 15.541 -5.210 1.00 0.00 N ATOM 268 CZ ARG A 16 76.400 15.046 -4.148 1.00 0.00 C ATOM 269 NH1 ARG A 16 77.078 14.286 -3.333 1.00 0.00 N ATOM 270 NH2 ARG A 16 75.146 15.313 -3.902 1.00 0.00 N ATOM 0 H ARG A 16 78.069 13.236 -7.908 1.00 0.00 H new ATOM 0 HA ARG A 16 75.929 14.267 -9.697 1.00 0.00 H new ATOM 0 HB2 ARG A 16 76.919 16.489 -8.786 1.00 0.00 H new ATOM 0 HB3 ARG A 16 76.014 15.479 -7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 16 78.957 14.898 -7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 16 78.525 16.410 -7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 16 77.223 13.758 -6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 16 78.690 14.336 -5.578 1.00 0.00 H new ATOM 0 HE ARG A 16 76.872 16.531 -5.433 1.00 0.00 H new ATOM 0 HH11 ARG A 16 78.058 14.079 -3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 16 76.628 13.899 -2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 16 74.617 15.908 -4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 16 74.696 14.927 -3.072 1.00 0.00 H new ATOM 284 N PHE A 17 78.483 13.708 -11.012 1.00 0.00 N ATOM 285 CA PHE A 17 79.447 13.934 -12.119 1.00 0.00 C ATOM 286 C PHE A 17 79.700 12.604 -12.826 1.00 0.00 C ATOM 287 O PHE A 17 79.313 11.562 -12.336 1.00 0.00 O ATOM 288 CB PHE A 17 80.762 14.460 -11.534 1.00 0.00 C ATOM 289 CG PHE A 17 80.785 15.969 -11.606 1.00 0.00 C ATOM 290 CD1 PHE A 17 80.354 16.625 -12.765 1.00 0.00 C ATOM 291 CD2 PHE A 17 81.241 16.712 -10.510 1.00 0.00 C ATOM 292 CE1 PHE A 17 80.378 18.023 -12.828 1.00 0.00 C ATOM 293 CE2 PHE A 17 81.265 18.111 -10.574 1.00 0.00 C ATOM 294 CZ PHE A 17 80.834 18.766 -11.733 1.00 0.00 C ATOM 0 H PHE A 17 78.328 12.730 -10.768 1.00 0.00 H new ATOM 0 HA PHE A 17 79.047 14.659 -12.828 1.00 0.00 H new ATOM 0 HB2 PHE A 17 80.867 14.134 -10.499 1.00 0.00 H new ATOM 0 HB3 PHE A 17 81.607 14.047 -12.085 1.00 0.00 H new ATOM 0 HD1 PHE A 17 80.003 16.052 -13.611 1.00 0.00 H new ATOM 0 HD2 PHE A 17 81.574 16.206 -9.616 1.00 0.00 H new ATOM 0 HE1 PHE A 17 80.044 18.529 -13.722 1.00 0.00 H new ATOM 0 HE2 PHE A 17 81.616 18.684 -9.729 1.00 0.00 H new ATOM 0 HZ PHE A 17 80.853 19.845 -11.783 1.00 0.00 H new ATOM 304 N PRO A 18 80.358 12.675 -13.951 1.00 0.00 N ATOM 305 CA PRO A 18 80.697 11.480 -14.738 1.00 0.00 C ATOM 306 C PRO A 18 81.845 10.723 -14.064 1.00 0.00 C ATOM 307 O PRO A 18 82.316 9.717 -14.558 1.00 0.00 O ATOM 308 CB PRO A 18 81.117 12.051 -16.097 1.00 0.00 C ATOM 309 CG PRO A 18 81.522 13.522 -15.844 1.00 0.00 C ATOM 310 CD PRO A 18 80.828 13.946 -14.539 1.00 0.00 C ATOM 0 HA PRO A 18 79.878 10.767 -14.830 1.00 0.00 H new ATOM 0 HB2 PRO A 18 81.949 11.485 -16.516 1.00 0.00 H new ATOM 0 HB3 PRO A 18 80.298 11.991 -16.814 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.604 13.617 -15.757 1.00 0.00 H new ATOM 0 HG3 PRO A 18 81.212 14.158 -16.673 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.517 14.463 -13.871 1.00 0.00 H new ATOM 0 HD3 PRO A 18 79.999 14.627 -14.732 1.00 0.00 H new ATOM 318 N GLY A 19 82.288 11.197 -12.928 1.00 0.00 N ATOM 319 CA GLY A 19 83.393 10.512 -12.206 1.00 0.00 C ATOM 320 C GLY A 19 83.018 10.364 -10.728 1.00 0.00 C ATOM 321 O GLY A 19 83.767 9.819 -9.943 1.00 0.00 O ATOM 0 H GLY A 19 81.927 12.034 -12.470 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.578 9.532 -12.646 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.316 11.084 -12.303 1.00 0.00 H new ATOM 325 N ASP A 20 81.861 10.842 -10.340 1.00 0.00 N ATOM 326 CA ASP A 20 81.448 10.718 -8.918 1.00 0.00 C ATOM 327 C ASP A 20 80.681 9.416 -8.724 1.00 0.00 C ATOM 328 O ASP A 20 79.974 9.227 -7.756 1.00 0.00 O ATOM 329 CB ASP A 20 80.569 11.909 -8.522 1.00 0.00 C ATOM 330 CG ASP A 20 80.538 12.039 -6.997 1.00 0.00 C ATOM 331 OD1 ASP A 20 80.421 11.020 -6.337 1.00 0.00 O ATOM 332 OD2 ASP A 20 80.632 13.156 -6.516 1.00 0.00 O ATOM 0 H ASP A 20 81.190 11.311 -10.949 1.00 0.00 H new ATOM 0 HA ASP A 20 82.335 10.711 -8.284 1.00 0.00 H new ATOM 0 HB2 ASP A 20 80.958 12.825 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 20 79.558 11.772 -8.906 1.00 0.00 H new ATOM 337 N THR A 21 80.842 8.517 -9.639 1.00 0.00 N ATOM 338 CA THR A 21 80.154 7.198 -9.541 1.00 0.00 C ATOM 339 C THR A 21 81.059 6.238 -8.775 1.00 0.00 C ATOM 340 O THR A 21 80.612 5.269 -8.194 1.00 0.00 O ATOM 341 CB THR A 21 79.890 6.641 -10.944 1.00 0.00 C ATOM 342 OG1 THR A 21 79.685 5.238 -10.862 1.00 0.00 O ATOM 343 CG2 THR A 21 81.089 6.931 -11.846 1.00 0.00 C ATOM 0 H THR A 21 81.428 8.634 -10.466 1.00 0.00 H new ATOM 0 HA THR A 21 79.202 7.315 -9.024 1.00 0.00 H new ATOM 0 HB THR A 21 79.002 7.116 -11.362 1.00 0.00 H new ATOM 0 HG1 THR A 21 79.514 4.879 -11.758 1.00 0.00 H new ATOM 0 HG21 THR A 21 80.899 6.534 -12.843 1.00 0.00 H new ATOM 0 HG22 THR A 21 81.246 8.008 -11.908 1.00 0.00 H new ATOM 0 HG23 THR A 21 81.979 6.458 -11.431 1.00 0.00 H new ATOM 351 N GLY A 22 82.333 6.515 -8.756 1.00 0.00 N ATOM 352 CA GLY A 22 83.279 5.638 -8.016 1.00 0.00 C ATOM 353 C GLY A 22 83.560 6.258 -6.646 1.00 0.00 C ATOM 354 O GLY A 22 84.247 5.686 -5.823 1.00 0.00 O ATOM 0 H GLY A 22 82.760 7.315 -9.223 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.855 4.641 -7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 22 84.207 5.526 -8.577 1.00 0.00 H new ATOM 358 N SER A 23 83.031 7.427 -6.395 1.00 0.00 N ATOM 359 CA SER A 23 83.266 8.085 -5.080 1.00 0.00 C ATOM 360 C SER A 23 82.846 7.137 -3.955 1.00 0.00 C ATOM 361 O SER A 23 81.854 6.443 -4.054 1.00 0.00 O ATOM 362 CB SER A 23 82.440 9.371 -4.998 1.00 0.00 C ATOM 363 OG SER A 23 83.152 10.340 -4.240 1.00 0.00 O ATOM 0 H SER A 23 82.447 7.953 -7.045 1.00 0.00 H new ATOM 0 HA SER A 23 84.324 8.326 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A 23 82.239 9.752 -5.999 1.00 0.00 H new ATOM 0 HB3 SER A 23 81.475 9.168 -4.534 1.00 0.00 H new ATOM 0 HG SER A 23 82.626 11.165 -4.187 1.00 0.00 H new ATOM 369 N THR A 24 83.593 7.100 -2.885 1.00 0.00 N ATOM 370 CA THR A 24 83.233 6.192 -1.759 1.00 0.00 C ATOM 371 C THR A 24 81.818 6.515 -1.275 1.00 0.00 C ATOM 372 O THR A 24 81.189 5.728 -0.598 1.00 0.00 O ATOM 373 CB THR A 24 84.218 6.384 -0.606 1.00 0.00 C ATOM 374 OG1 THR A 24 85.484 5.856 -0.975 1.00 0.00 O ATOM 375 CG2 THR A 24 83.697 5.654 0.631 1.00 0.00 C ATOM 0 H THR A 24 84.435 7.658 -2.742 1.00 0.00 H new ATOM 0 HA THR A 24 83.276 5.159 -2.103 1.00 0.00 H new ATOM 0 HB THR A 24 84.321 7.446 -0.383 1.00 0.00 H new ATOM 0 HG1 THR A 24 86.118 5.980 -0.238 1.00 0.00 H new ATOM 0 HG21 THR A 24 84.397 5.789 1.455 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.725 6.060 0.911 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.596 4.591 0.411 1.00 0.00 H new ATOM 383 N GLU A 25 81.310 7.665 -1.618 1.00 0.00 N ATOM 384 CA GLU A 25 79.939 8.031 -1.185 1.00 0.00 C ATOM 385 C GLU A 25 78.927 7.244 -2.017 1.00 0.00 C ATOM 386 O GLU A 25 78.001 6.653 -1.499 1.00 0.00 O ATOM 387 CB GLU A 25 79.732 9.526 -1.412 1.00 0.00 C ATOM 388 CG GLU A 25 80.641 10.315 -0.471 1.00 0.00 C ATOM 389 CD GLU A 25 80.764 11.757 -0.967 1.00 0.00 C ATOM 390 OE1 GLU A 25 79.808 12.500 -0.813 1.00 0.00 O ATOM 391 OE2 GLU A 25 81.813 12.095 -1.492 1.00 0.00 O ATOM 0 H GLU A 25 81.789 8.368 -2.181 1.00 0.00 H new ATOM 0 HA GLU A 25 79.804 7.797 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 25 79.954 9.781 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.690 9.791 -1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 25 80.235 10.301 0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.626 9.850 -0.425 1.00 0.00 H new ATOM 398 N VAL A 26 79.103 7.240 -3.307 1.00 0.00 N ATOM 399 CA VAL A 26 78.163 6.502 -4.192 1.00 0.00 C ATOM 400 C VAL A 26 78.258 4.999 -3.919 1.00 0.00 C ATOM 401 O VAL A 26 77.269 4.295 -3.954 1.00 0.00 O ATOM 402 CB VAL A 26 78.521 6.779 -5.653 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.517 6.076 -6.568 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.473 8.287 -5.907 1.00 0.00 C ATOM 0 H VAL A 26 79.863 7.720 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 26 77.145 6.836 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 26 79.523 6.404 -5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.773 6.274 -7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.548 5.002 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.514 6.450 -6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.728 8.489 -6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.470 8.659 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 26 79.188 8.789 -5.255 1.00 0.00 H new ATOM 414 N GLN A 27 79.432 4.495 -3.646 1.00 0.00 N ATOM 415 CA GLN A 27 79.559 3.040 -3.377 1.00 0.00 C ATOM 416 C GLN A 27 78.910 2.726 -2.034 1.00 0.00 C ATOM 417 O GLN A 27 78.129 1.808 -1.914 1.00 0.00 O ATOM 418 CB GLN A 27 81.037 2.637 -3.354 1.00 0.00 C ATOM 419 CG GLN A 27 81.687 3.136 -2.062 1.00 0.00 C ATOM 420 CD GLN A 27 83.181 2.809 -2.082 1.00 0.00 C ATOM 421 OE1 GLN A 27 83.925 3.270 -3.051 1.00 0.00 O flip ATOM 422 NE2 GLN A 27 83.678 2.127 -1.208 1.00 0.00 N flip ATOM 0 H GLN A 27 80.301 5.027 -3.599 1.00 0.00 H new ATOM 0 HA GLN A 27 79.059 2.477 -4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 27 81.130 1.553 -3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 27 81.552 3.057 -4.218 1.00 0.00 H new ATOM 0 HG2 GLN A 27 81.541 4.211 -1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 27 81.213 2.667 -1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 27 83.098 1.766 -0.451 1.00 0.00 H new ATOM 0 HE22 GLN A 27 84.675 1.915 -1.232 1.00 0.00 H new ATOM 431 N VAL A 28 79.209 3.491 -1.024 1.00 0.00 N ATOM 432 CA VAL A 28 78.577 3.236 0.294 1.00 0.00 C ATOM 433 C VAL A 28 77.075 3.095 0.066 1.00 0.00 C ATOM 434 O VAL A 28 76.404 2.330 0.725 1.00 0.00 O ATOM 435 CB VAL A 28 78.864 4.415 1.230 1.00 0.00 C ATOM 436 CG1 VAL A 28 77.959 4.343 2.463 1.00 0.00 C ATOM 437 CG2 VAL A 28 80.328 4.364 1.675 1.00 0.00 C ATOM 0 H VAL A 28 79.859 4.276 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 28 78.974 2.329 0.750 1.00 0.00 H new ATOM 0 HB VAL A 28 78.669 5.346 0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 28 78.172 5.186 3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 28 76.915 4.381 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 28 78.144 3.411 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 28 80.535 5.202 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 28 80.516 3.428 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 28 80.976 4.426 0.801 1.00 0.00 H new ATOM 447 N ALA A 29 76.541 3.813 -0.884 1.00 0.00 N ATOM 448 CA ALA A 29 75.091 3.692 -1.165 1.00 0.00 C ATOM 449 C ALA A 29 74.827 2.299 -1.727 1.00 0.00 C ATOM 450 O ALA A 29 73.897 1.625 -1.331 1.00 0.00 O ATOM 451 CB ALA A 29 74.666 4.750 -2.183 1.00 0.00 C ATOM 0 H ALA A 29 77.047 4.474 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 29 74.519 3.843 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.599 4.654 -2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.872 5.743 -1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 29 75.224 4.609 -3.109 1.00 0.00 H new ATOM 457 N LEU A 30 75.652 1.852 -2.635 1.00 0.00 N ATOM 458 CA LEU A 30 75.456 0.496 -3.200 1.00 0.00 C ATOM 459 C LEU A 30 75.722 -0.533 -2.097 1.00 0.00 C ATOM 460 O LEU A 30 75.388 -1.695 -2.221 1.00 0.00 O ATOM 461 CB LEU A 30 76.414 0.290 -4.388 1.00 0.00 C ATOM 462 CG LEU A 30 77.750 -0.298 -3.917 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.708 -1.822 -4.038 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.883 0.248 -4.789 1.00 0.00 C ATOM 0 H LEU A 30 76.449 2.369 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 30 74.435 0.376 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.956 -0.377 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.588 1.242 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 30 77.922 -0.019 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.657 -2.240 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.901 -2.214 -3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.536 -2.100 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.833 -0.169 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.709 -0.031 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.915 1.334 -4.706 1.00 0.00 H new ATOM 476 N LEU A 31 76.321 -0.108 -1.014 1.00 0.00 N ATOM 477 CA LEU A 31 76.607 -1.046 0.098 1.00 0.00 C ATOM 478 C LEU A 31 75.272 -1.421 0.747 1.00 0.00 C ATOM 479 O LEU A 31 75.110 -2.484 1.312 1.00 0.00 O ATOM 480 CB LEU A 31 77.533 -0.355 1.123 1.00 0.00 C ATOM 481 CG LEU A 31 76.703 0.289 2.235 1.00 0.00 C ATOM 482 CD1 LEU A 31 76.383 -0.761 3.302 1.00 0.00 C ATOM 483 CD2 LEU A 31 77.484 1.435 2.875 1.00 0.00 C ATOM 0 H LEU A 31 76.623 0.854 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 31 77.107 -1.944 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 31 78.223 -1.083 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 31 78.137 0.403 0.625 1.00 0.00 H new ATOM 0 HG LEU A 31 75.779 0.679 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 31 75.792 -0.305 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 31 75.818 -1.577 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 31 77.312 -1.150 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 31 76.885 1.887 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 31 78.412 1.051 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 31 77.713 2.186 2.119 1.00 0.00 H new ATOM 495 N THR A 32 74.322 -0.528 0.670 1.00 0.00 N ATOM 496 CA THR A 32 72.989 -0.780 1.277 1.00 0.00 C ATOM 497 C THR A 32 72.166 -1.696 0.365 1.00 0.00 C ATOM 498 O THR A 32 71.506 -2.604 0.818 1.00 0.00 O ATOM 499 CB THR A 32 72.278 0.572 1.479 1.00 0.00 C ATOM 500 OG1 THR A 32 71.479 0.514 2.652 1.00 0.00 O ATOM 501 CG2 THR A 32 71.389 0.907 0.276 1.00 0.00 C ATOM 0 H THR A 32 74.417 0.375 0.206 1.00 0.00 H new ATOM 0 HA THR A 32 73.101 -1.276 2.241 1.00 0.00 H new ATOM 0 HB THR A 32 73.035 1.350 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 32 71.027 1.374 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 32 70.898 1.866 0.442 1.00 0.00 H new ATOM 0 HG22 THR A 32 72.001 0.964 -0.624 1.00 0.00 H new ATOM 0 HG23 THR A 32 70.635 0.130 0.153 1.00 0.00 H new ATOM 509 N LEU A 33 72.197 -1.457 -0.915 1.00 0.00 N ATOM 510 CA LEU A 33 71.411 -2.312 -1.849 1.00 0.00 C ATOM 511 C LEU A 33 71.740 -3.784 -1.599 1.00 0.00 C ATOM 512 O LEU A 33 70.946 -4.524 -1.052 1.00 0.00 O ATOM 513 CB LEU A 33 71.763 -1.950 -3.293 1.00 0.00 C ATOM 514 CG LEU A 33 70.607 -1.172 -3.924 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.351 -2.047 -3.941 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.335 0.091 -3.105 1.00 0.00 C ATOM 0 H LEU A 33 72.731 -0.708 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 33 70.347 -2.145 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.673 -1.351 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.962 -2.855 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 33 70.871 -0.895 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 33 68.527 -1.492 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.543 -2.948 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.087 -2.325 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.511 0.646 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 33 70.071 -0.187 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.228 0.715 -3.092 1.00 0.00 H new ATOM 528 N ARG A 34 72.905 -4.218 -1.996 1.00 0.00 N ATOM 529 CA ARG A 34 73.284 -5.644 -1.783 1.00 0.00 C ATOM 530 C ARG A 34 72.880 -6.077 -0.372 1.00 0.00 C ATOM 531 O ARG A 34 72.635 -7.237 -0.115 1.00 0.00 O ATOM 532 CB ARG A 34 74.797 -5.799 -1.951 1.00 0.00 C ATOM 533 CG ARG A 34 75.093 -7.062 -2.761 1.00 0.00 C ATOM 534 CD ARG A 34 76.044 -6.722 -3.911 1.00 0.00 C ATOM 535 NE ARG A 34 75.549 -7.349 -5.168 1.00 0.00 N ATOM 536 CZ ARG A 34 75.788 -6.781 -6.318 1.00 0.00 C ATOM 537 NH1 ARG A 34 75.628 -5.493 -6.455 1.00 0.00 N ATOM 538 NH2 ARG A 34 76.185 -7.501 -7.332 1.00 0.00 N ATOM 0 H ARG A 34 73.611 -3.646 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 34 72.770 -6.269 -2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.209 -4.925 -2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 34 75.278 -5.859 -0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 34 75.539 -7.822 -2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.166 -7.480 -3.153 1.00 0.00 H new ATOM 0 HD2 ARG A 34 76.111 -5.641 -4.034 1.00 0.00 H new ATOM 0 HD3 ARG A 34 77.048 -7.080 -3.684 1.00 0.00 H new ATOM 0 HE ARG A 34 75.023 -8.222 -5.130 1.00 0.00 H new ATOM 0 HH11 ARG A 34 75.316 -4.931 -5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 34 75.815 -5.049 -7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 34 76.308 -8.508 -7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 34 76.372 -7.057 -8.231 1.00 0.00 H new ATOM 552 N ILE A 35 72.807 -5.151 0.545 1.00 0.00 N ATOM 553 CA ILE A 35 72.422 -5.499 1.933 1.00 0.00 C ATOM 554 C ILE A 35 70.968 -5.981 1.945 1.00 0.00 C ATOM 555 O ILE A 35 70.662 -7.070 2.387 1.00 0.00 O ATOM 556 CB ILE A 35 72.596 -4.237 2.797 1.00 0.00 C ATOM 557 CG1 ILE A 35 73.689 -4.478 3.832 1.00 0.00 C ATOM 558 CG2 ILE A 35 71.297 -3.857 3.512 1.00 0.00 C ATOM 559 CD1 ILE A 35 74.747 -3.388 3.699 1.00 0.00 C ATOM 0 H ILE A 35 73.000 -4.162 0.386 1.00 0.00 H new ATOM 0 HA ILE A 35 73.046 -6.300 2.331 1.00 0.00 H new ATOM 0 HB ILE A 35 72.872 -3.414 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 35 73.265 -4.471 4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 35 74.139 -5.460 3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 35 71.460 -2.962 4.112 1.00 0.00 H new ATOM 0 HG22 ILE A 35 70.519 -3.663 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 35 70.986 -4.676 4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 35 75.533 -3.552 4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 35 75.176 -3.418 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 35 74.289 -2.414 3.868 1.00 0.00 H new ATOM 571 N ASN A 36 70.078 -5.157 1.477 1.00 0.00 N ATOM 572 CA ASN A 36 68.637 -5.530 1.462 1.00 0.00 C ATOM 573 C ASN A 36 68.428 -6.804 0.636 1.00 0.00 C ATOM 574 O ASN A 36 67.710 -7.699 1.036 1.00 0.00 O ATOM 575 CB ASN A 36 67.824 -4.387 0.851 1.00 0.00 C ATOM 576 CG ASN A 36 67.484 -3.365 1.939 1.00 0.00 C ATOM 577 OD1 ASN A 36 66.634 -3.607 2.772 1.00 0.00 O ATOM 578 ND2 ASN A 36 68.117 -2.224 1.965 1.00 0.00 N ATOM 0 H ASN A 36 70.287 -4.232 1.100 1.00 0.00 H new ATOM 0 HA ASN A 36 68.306 -5.713 2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 36 68.391 -3.909 0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 36 66.909 -4.776 0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 36 67.898 -1.535 2.685 1.00 0.00 H new ATOM 0 HD22 ASN A 36 68.831 -2.021 1.265 1.00 0.00 H new ATOM 585 N ARG A 37 69.035 -6.895 -0.518 1.00 0.00 N ATOM 586 CA ARG A 37 68.846 -8.112 -1.355 1.00 0.00 C ATOM 587 C ARG A 37 69.794 -9.217 -0.905 1.00 0.00 C ATOM 588 O ARG A 37 69.925 -10.245 -1.540 1.00 0.00 O ATOM 589 CB ARG A 37 69.105 -7.775 -2.823 1.00 0.00 C ATOM 590 CG ARG A 37 67.826 -7.996 -3.633 1.00 0.00 C ATOM 591 CD ARG A 37 67.923 -9.321 -4.391 1.00 0.00 C ATOM 592 NE ARG A 37 66.695 -10.127 -4.140 1.00 0.00 N ATOM 593 CZ ARG A 37 65.684 -10.050 -4.961 1.00 0.00 C ATOM 594 NH1 ARG A 37 65.885 -10.076 -6.249 1.00 0.00 N ATOM 595 NH2 ARG A 37 64.470 -9.948 -4.491 1.00 0.00 N ATOM 0 H ARG A 37 69.649 -6.183 -0.914 1.00 0.00 H new ATOM 0 HA ARG A 37 67.820 -8.461 -1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.433 -6.740 -2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 37 69.908 -8.400 -3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 37 66.961 -8.007 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 37 67.680 -7.174 -4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 37 68.036 -9.134 -5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 37 68.806 -9.873 -4.069 1.00 0.00 H new ATOM 0 HE ARG A 37 66.645 -10.739 -3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 37 66.833 -10.157 -6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 37 65.094 -10.016 -6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 37 64.313 -9.929 -3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 37 63.679 -9.888 -5.132 1.00 0.00 H new ATOM 609 N LEU A 38 70.440 -9.013 0.192 1.00 0.00 N ATOM 610 CA LEU A 38 71.375 -10.036 0.723 1.00 0.00 C ATOM 611 C LEU A 38 70.620 -10.955 1.685 1.00 0.00 C ATOM 612 O LEU A 38 70.811 -12.155 1.695 1.00 0.00 O ATOM 613 CB LEU A 38 72.526 -9.350 1.463 1.00 0.00 C ATOM 614 CG LEU A 38 73.792 -9.409 0.605 1.00 0.00 C ATOM 615 CD1 LEU A 38 74.768 -8.322 1.057 1.00 0.00 C ATOM 616 CD2 LEU A 38 74.451 -10.781 0.762 1.00 0.00 C ATOM 0 H LEU A 38 70.363 -8.168 0.758 1.00 0.00 H new ATOM 0 HA LEU A 38 71.781 -10.622 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 38 72.268 -8.313 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 38 72.700 -9.840 2.421 1.00 0.00 H new ATOM 0 HG LEU A 38 73.528 -9.248 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 38 75.669 -8.365 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 38 74.300 -7.344 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 38 75.031 -8.481 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.353 -10.824 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 38 74.713 -10.941 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 38 73.757 -11.557 0.439 1.00 0.00 H new ATOM 628 N SER A 39 69.764 -10.394 2.494 1.00 0.00 N ATOM 629 CA SER A 39 68.992 -11.221 3.463 1.00 0.00 C ATOM 630 C SER A 39 67.972 -12.077 2.711 1.00 0.00 C ATOM 631 O SER A 39 67.441 -13.034 3.238 1.00 0.00 O ATOM 632 CB SER A 39 68.262 -10.302 4.443 1.00 0.00 C ATOM 633 OG SER A 39 67.867 -11.051 5.584 1.00 0.00 O ATOM 0 H SER A 39 69.565 -9.394 2.525 1.00 0.00 H new ATOM 0 HA SER A 39 69.675 -11.871 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 39 68.912 -9.479 4.741 1.00 0.00 H new ATOM 0 HB3 SER A 39 67.388 -9.860 3.963 1.00 0.00 H new ATOM 0 HG SER A 39 67.400 -10.464 6.215 1.00 0.00 H new ATOM 639 N GLU A 40 67.689 -11.740 1.481 1.00 0.00 N ATOM 640 CA GLU A 40 66.703 -12.532 0.700 1.00 0.00 C ATOM 641 C GLU A 40 67.423 -13.638 -0.059 1.00 0.00 C ATOM 642 O GLU A 40 66.929 -14.178 -1.027 1.00 0.00 O ATOM 643 CB GLU A 40 65.991 -11.622 -0.290 1.00 0.00 C ATOM 644 CG GLU A 40 64.517 -11.489 0.098 1.00 0.00 C ATOM 645 CD GLU A 40 64.412 -11.057 1.561 1.00 0.00 C ATOM 646 OE1 GLU A 40 65.145 -10.161 1.948 1.00 0.00 O ATOM 647 OE2 GLU A 40 63.601 -11.628 2.271 1.00 0.00 O ATOM 0 H GLU A 40 68.100 -10.949 0.985 1.00 0.00 H new ATOM 0 HA GLU A 40 65.974 -12.973 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 40 66.464 -10.640 -0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 40 66.076 -12.028 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 40 64.025 -10.758 -0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 40 64.004 -12.439 -0.049 1.00 0.00 H new ATOM 654 N HIS A 41 68.588 -13.968 0.386 1.00 0.00 N ATOM 655 CA HIS A 41 69.378 -15.036 -0.281 1.00 0.00 C ATOM 656 C HIS A 41 68.854 -16.406 0.150 1.00 0.00 C ATOM 657 O HIS A 41 68.540 -17.247 -0.668 1.00 0.00 O ATOM 658 CB HIS A 41 70.850 -14.900 0.116 1.00 0.00 C ATOM 659 CG HIS A 41 71.696 -14.776 -1.121 1.00 0.00 C ATOM 660 ND1 HIS A 41 71.380 -14.818 -2.457 1.00 0.00 N flip ATOM 661 CD2 HIS A 41 73.067 -14.584 -1.062 1.00 0.00 C flip ATOM 662 CE1 HIS A 41 72.534 -14.653 -3.216 1.00 0.00 C flip ATOM 663 NE2 HIS A 41 73.521 -14.515 -2.327 1.00 0.00 N flip ATOM 0 H HIS A 41 69.040 -13.541 1.195 1.00 0.00 H new ATOM 0 HA HIS A 41 69.282 -14.939 -1.362 1.00 0.00 H new ATOM 0 HB2 HIS A 41 70.986 -14.025 0.751 1.00 0.00 H new ATOM 0 HB3 HIS A 41 71.162 -15.768 0.697 1.00 0.00 H new ATOM 0 HD2 HIS A 41 73.663 -14.504 -0.165 1.00 0.00 H new ATOM 0 HE1 HIS A 41 72.614 -14.639 -4.293 1.00 0.00 H new ATOM 0 HE2 HIS A 41 74.500 -14.374 -2.576 1.00 0.00 H new ATOM 671 N LEU A 42 68.763 -16.634 1.429 1.00 0.00 N ATOM 672 CA LEU A 42 68.267 -17.942 1.928 1.00 0.00 C ATOM 673 C LEU A 42 66.772 -18.084 1.620 1.00 0.00 C ATOM 674 O LEU A 42 66.177 -19.116 1.864 1.00 0.00 O ATOM 675 CB LEU A 42 68.479 -18.011 3.437 1.00 0.00 C ATOM 676 CG LEU A 42 69.834 -17.397 3.793 1.00 0.00 C ATOM 677 CD1 LEU A 42 69.620 -16.153 4.657 1.00 0.00 C ATOM 678 CD2 LEU A 42 70.669 -18.418 4.568 1.00 0.00 C ATOM 0 H LEU A 42 69.014 -15.963 2.155 1.00 0.00 H new ATOM 0 HA LEU A 42 68.812 -18.748 1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 42 67.680 -17.477 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 42 68.438 -19.047 3.773 1.00 0.00 H new ATOM 0 HG LEU A 42 70.357 -17.118 2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.586 -15.716 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 42 69.025 -15.425 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 42 69.096 -16.431 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.635 -17.981 4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 42 70.145 -18.697 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 42 70.823 -19.305 3.953 1.00 0.00 H new ATOM 690 N LYS A 43 66.159 -17.061 1.086 1.00 0.00 N ATOM 691 CA LYS A 43 64.705 -17.143 0.765 1.00 0.00 C ATOM 692 C LYS A 43 64.508 -17.776 -0.610 1.00 0.00 C ATOM 693 O LYS A 43 63.466 -17.671 -1.225 1.00 0.00 O ATOM 694 CB LYS A 43 64.102 -15.745 0.770 1.00 0.00 C ATOM 695 CG LYS A 43 63.630 -15.393 2.182 1.00 0.00 C ATOM 696 CD LYS A 43 62.129 -15.660 2.302 1.00 0.00 C ATOM 697 CE LYS A 43 61.769 -15.907 3.769 1.00 0.00 C ATOM 698 NZ LYS A 43 61.431 -14.612 4.423 1.00 0.00 N ATOM 0 H LYS A 43 66.603 -16.172 0.858 1.00 0.00 H new ATOM 0 HA LYS A 43 64.210 -17.758 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 43 64.841 -15.019 0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 43 63.265 -15.697 0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 43 64.175 -15.985 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 43 63.842 -14.346 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 43 61.566 -14.810 1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 43 61.853 -16.525 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 43 60.924 -16.592 3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 43 62.605 -16.380 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 61.186 -14.780 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 62.249 -13.972 4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 60.621 -14.178 3.936 1.00 0.00 H new ATOM 712 N VAL A 44 65.512 -18.436 -1.078 1.00 0.00 N ATOM 713 CA VAL A 44 65.453 -19.107 -2.398 1.00 0.00 C ATOM 714 C VAL A 44 66.516 -20.206 -2.414 1.00 0.00 C ATOM 715 O VAL A 44 66.298 -21.297 -2.903 1.00 0.00 O ATOM 716 CB VAL A 44 65.742 -18.088 -3.500 1.00 0.00 C ATOM 717 CG1 VAL A 44 66.071 -18.816 -4.804 1.00 0.00 C ATOM 718 CG2 VAL A 44 64.512 -17.202 -3.709 1.00 0.00 C ATOM 0 H VAL A 44 66.401 -18.544 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 44 64.465 -19.535 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 44 66.592 -17.472 -3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 44 66.276 -18.086 -5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 44 66.948 -19.447 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 44 65.224 -19.435 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 44 64.717 -16.475 -4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 44 63.663 -17.821 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 44 64.279 -16.678 -2.782 1.00 0.00 H new ATOM 728 N HIS A 45 67.664 -19.920 -1.863 1.00 0.00 N ATOM 729 CA HIS A 45 68.755 -20.926 -1.814 1.00 0.00 C ATOM 730 C HIS A 45 68.236 -22.211 -1.163 1.00 0.00 C ATOM 731 O HIS A 45 68.114 -23.237 -1.803 1.00 0.00 O ATOM 732 CB HIS A 45 69.909 -20.358 -0.983 1.00 0.00 C ATOM 733 CG HIS A 45 70.868 -19.634 -1.887 1.00 0.00 C ATOM 734 ND1 HIS A 45 71.616 -20.057 -2.958 1.00 0.00 N flip ATOM 735 CD2 HIS A 45 71.150 -18.285 -1.738 1.00 0.00 C flip ATOM 736 CE1 HIS A 45 72.351 -18.990 -3.466 1.00 0.00 C flip ATOM 737 NE2 HIS A 45 72.034 -17.947 -2.694 1.00 0.00 N flip ATOM 0 H HIS A 45 67.892 -19.020 -1.440 1.00 0.00 H new ATOM 0 HA HIS A 45 69.100 -21.152 -2.823 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.524 -19.677 -0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 45 70.424 -21.163 -0.458 1.00 0.00 H new ATOM 0 HD1 HIS A 45 71.631 -21.008 -3.325 1.00 0.00 H new ATOM 0 HD2 HIS A 45 70.735 -17.625 -0.990 1.00 0.00 H new ATOM 0 HE1 HIS A 45 73.032 -19.003 -4.304 1.00 0.00 H new ATOM 745 N LYS A 46 67.929 -22.162 0.104 1.00 0.00 N ATOM 746 CA LYS A 46 67.417 -23.380 0.796 1.00 0.00 C ATOM 747 C LYS A 46 68.430 -24.517 0.645 1.00 0.00 C ATOM 748 O LYS A 46 68.393 -25.272 -0.305 1.00 0.00 O ATOM 749 CB LYS A 46 66.085 -23.799 0.171 1.00 0.00 C ATOM 750 CG LYS A 46 64.932 -23.271 1.026 1.00 0.00 C ATOM 751 CD LYS A 46 64.548 -24.321 2.071 1.00 0.00 C ATOM 752 CE LYS A 46 64.414 -23.652 3.441 1.00 0.00 C ATOM 753 NZ LYS A 46 63.029 -23.849 3.955 1.00 0.00 N ATOM 0 H LYS A 46 68.010 -21.332 0.691 1.00 0.00 H new ATOM 0 HA LYS A 46 67.270 -23.162 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 46 66.008 -23.408 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 46 66.031 -24.885 0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 46 65.225 -22.344 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 46 64.074 -23.040 0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 46 63.608 -24.798 1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 46 65.304 -25.105 2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 46 65.136 -24.077 4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 46 64.636 -22.588 3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 62.936 -23.395 4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 62.349 -23.423 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 62.834 -24.866 4.045 1.00 0.00 H new ATOM 767 N LYS A 47 69.334 -24.647 1.578 1.00 0.00 N ATOM 768 CA LYS A 47 70.345 -25.734 1.487 1.00 0.00 C ATOM 769 C LYS A 47 71.355 -25.396 0.390 1.00 0.00 C ATOM 770 O LYS A 47 71.470 -26.095 -0.597 1.00 0.00 O ATOM 771 CB LYS A 47 69.647 -27.053 1.152 1.00 0.00 C ATOM 772 CG LYS A 47 68.361 -27.173 1.972 1.00 0.00 C ATOM 773 CD LYS A 47 68.406 -28.455 2.807 1.00 0.00 C ATOM 774 CE LYS A 47 67.419 -29.473 2.233 1.00 0.00 C ATOM 775 NZ LYS A 47 67.942 -30.851 2.454 1.00 0.00 N ATOM 0 H LYS A 47 69.414 -24.046 2.399 1.00 0.00 H new ATOM 0 HA LYS A 47 70.863 -25.832 2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 47 69.417 -27.095 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 47 70.308 -27.892 1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 47 68.250 -26.306 2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 47 67.495 -27.188 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 47 69.414 -28.869 2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.155 -28.235 3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 47 66.446 -29.361 2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 47 67.274 -29.294 1.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 67.271 -31.544 2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 68.861 -30.954 1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 68.059 -31.019 3.474 1.00 0.00 H new ATOM 789 N ASP A 48 72.089 -24.330 0.556 1.00 0.00 N ATOM 790 CA ASP A 48 73.090 -23.950 -0.475 1.00 0.00 C ATOM 791 C ASP A 48 74.053 -22.909 0.102 1.00 0.00 C ATOM 792 O ASP A 48 74.502 -22.016 -0.588 1.00 0.00 O ATOM 793 CB ASP A 48 72.373 -23.364 -1.693 1.00 0.00 C ATOM 794 CG ASP A 48 72.577 -24.284 -2.897 1.00 0.00 C ATOM 795 OD1 ASP A 48 72.682 -25.482 -2.691 1.00 0.00 O ATOM 796 OD2 ASP A 48 72.622 -23.776 -4.006 1.00 0.00 O ATOM 0 H ASP A 48 72.037 -23.707 1.362 1.00 0.00 H new ATOM 0 HA ASP A 48 73.652 -24.834 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 48 71.309 -23.253 -1.483 1.00 0.00 H new ATOM 0 HB3 ASP A 48 72.760 -22.369 -1.912 1.00 0.00 H new ATOM 801 N HIS A 49 74.378 -23.020 1.361 1.00 0.00 N ATOM 802 CA HIS A 49 75.315 -22.038 1.976 1.00 0.00 C ATOM 803 C HIS A 49 76.561 -21.909 1.097 1.00 0.00 C ATOM 804 O HIS A 49 77.463 -22.719 1.161 1.00 0.00 O ATOM 805 CB HIS A 49 75.722 -22.524 3.369 1.00 0.00 C ATOM 806 CG HIS A 49 76.394 -23.865 3.257 1.00 0.00 C ATOM 807 ND1 HIS A 49 75.946 -25.081 2.806 1.00 0.00 N flip ATOM 808 CD2 HIS A 49 77.710 -24.065 3.642 1.00 0.00 C flip ATOM 809 CE1 HIS A 49 76.964 -26.024 2.909 1.00 0.00 C flip ATOM 810 NE2 HIS A 49 78.005 -25.359 3.418 1.00 0.00 N flip ATOM 0 H HIS A 49 74.036 -23.747 1.989 1.00 0.00 H new ATOM 0 HA HIS A 49 74.824 -21.068 2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 49 76.397 -21.805 3.834 1.00 0.00 H new ATOM 0 HB3 HIS A 49 74.844 -22.598 4.011 1.00 0.00 H new ATOM 0 HD2 HIS A 49 78.377 -23.319 4.048 1.00 0.00 H new ATOM 0 HE1 HIS A 49 76.922 -27.068 2.636 1.00 0.00 H new ATOM 0 HE2 HIS A 49 78.913 -25.781 3.613 1.00 0.00 H new ATOM 818 N HIS A 50 76.618 -20.897 0.273 1.00 0.00 N ATOM 819 CA HIS A 50 77.806 -20.723 -0.608 1.00 0.00 C ATOM 820 C HIS A 50 78.094 -19.239 -0.784 1.00 0.00 C ATOM 821 O HIS A 50 78.716 -18.815 -1.738 1.00 0.00 O ATOM 822 CB HIS A 50 77.519 -21.338 -1.969 1.00 0.00 C ATOM 823 CG HIS A 50 78.135 -22.708 -2.047 1.00 0.00 C ATOM 824 ND1 HIS A 50 77.379 -23.845 -2.284 1.00 0.00 N ATOM 825 CD2 HIS A 50 79.432 -23.140 -1.921 1.00 0.00 C ATOM 826 CE1 HIS A 50 78.219 -24.897 -2.294 1.00 0.00 C ATOM 827 NE2 HIS A 50 79.484 -24.522 -2.078 1.00 0.00 N ATOM 0 H HIS A 50 75.894 -20.185 0.173 1.00 0.00 H new ATOM 0 HA HIS A 50 78.668 -21.214 -0.155 1.00 0.00 H new ATOM 0 HB2 HIS A 50 76.443 -21.403 -2.130 1.00 0.00 H new ATOM 0 HB3 HIS A 50 77.921 -20.703 -2.758 1.00 0.00 H new ATOM 0 HD2 HIS A 50 80.283 -22.504 -1.729 1.00 0.00 H new ATOM 0 HE1 HIS A 50 77.909 -25.919 -2.457 1.00 0.00 H new ATOM 0 HE2 HIS A 50 80.309 -25.120 -2.037 1.00 0.00 H new ATOM 835 N SER A 51 77.644 -18.459 0.137 1.00 0.00 N ATOM 836 CA SER A 51 77.873 -16.988 0.060 1.00 0.00 C ATOM 837 C SER A 51 77.095 -16.288 1.176 1.00 0.00 C ATOM 838 O SER A 51 75.948 -16.595 1.432 1.00 0.00 O ATOM 839 CB SER A 51 77.396 -16.469 -1.297 1.00 0.00 C ATOM 840 OG SER A 51 78.408 -15.648 -1.867 1.00 0.00 O ATOM 0 H SER A 51 77.120 -18.771 0.954 1.00 0.00 H new ATOM 0 HA SER A 51 78.937 -16.781 0.176 1.00 0.00 H new ATOM 0 HB2 SER A 51 77.172 -17.304 -1.961 1.00 0.00 H new ATOM 0 HB3 SER A 51 76.474 -15.900 -1.178 1.00 0.00 H new ATOM 0 HG SER A 51 78.107 -15.315 -2.738 1.00 0.00 H new ATOM 846 N HIS A 52 77.710 -15.347 1.839 1.00 0.00 N ATOM 847 CA HIS A 52 77.006 -14.627 2.936 1.00 0.00 C ATOM 848 C HIS A 52 77.969 -13.644 3.607 1.00 0.00 C ATOM 849 O HIS A 52 77.884 -13.390 4.792 1.00 0.00 O ATOM 850 CB HIS A 52 76.507 -15.635 3.971 1.00 0.00 C ATOM 851 CG HIS A 52 77.560 -16.686 4.197 1.00 0.00 C ATOM 852 ND1 HIS A 52 78.860 -16.789 3.768 1.00 0.00 N flip ATOM 853 CD2 HIS A 52 77.323 -17.817 4.961 1.00 0.00 C flip ATOM 854 CE1 HIS A 52 79.423 -17.965 4.256 1.00 0.00 C flip ATOM 855 NE2 HIS A 52 78.454 -18.547 4.967 1.00 0.00 N flip ATOM 0 H HIS A 52 78.670 -15.046 1.668 1.00 0.00 H new ATOM 0 HA HIS A 52 76.159 -14.080 2.522 1.00 0.00 H new ATOM 0 HB2 HIS A 52 76.278 -15.127 4.908 1.00 0.00 H new ATOM 0 HB3 HIS A 52 75.583 -16.099 3.626 1.00 0.00 H new ATOM 0 HD2 HIS A 52 76.399 -18.067 5.461 1.00 0.00 H new ATOM 0 HE1 HIS A 52 80.427 -18.328 4.094 1.00 0.00 H new ATOM 0 HE2 HIS A 52 78.558 -19.436 5.455 1.00 0.00 H new ATOM 863 N ARG A 53 78.884 -13.093 2.861 1.00 0.00 N ATOM 864 CA ARG A 53 79.850 -12.131 3.454 1.00 0.00 C ATOM 865 C ARG A 53 79.179 -10.767 3.619 1.00 0.00 C ATOM 866 O ARG A 53 79.268 -10.143 4.658 1.00 0.00 O ATOM 867 CB ARG A 53 81.066 -11.995 2.534 1.00 0.00 C ATOM 868 CG ARG A 53 80.620 -11.468 1.169 1.00 0.00 C ATOM 869 CD ARG A 53 81.676 -11.814 0.119 1.00 0.00 C ATOM 870 NE ARG A 53 81.008 -12.351 -1.100 1.00 0.00 N ATOM 871 CZ ARG A 53 80.664 -11.544 -2.065 1.00 0.00 C ATOM 872 NH1 ARG A 53 79.572 -10.836 -1.965 1.00 0.00 N ATOM 873 NH2 ARG A 53 81.411 -11.445 -3.130 1.00 0.00 N ATOM 0 H ARG A 53 79.004 -13.268 1.863 1.00 0.00 H new ATOM 0 HA ARG A 53 80.172 -12.496 4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 53 81.795 -11.317 2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 53 81.558 -12.961 2.419 1.00 0.00 H new ATOM 0 HG2 ARG A 53 79.661 -11.906 0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 53 80.476 -10.388 1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 53 82.258 -10.927 -0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 53 82.374 -12.550 0.518 1.00 0.00 H new ATOM 0 HE ARG A 53 80.820 -13.350 -1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 53 78.988 -10.914 -1.132 1.00 0.00 H new ATOM 0 HH12 ARG A 53 79.303 -10.205 -2.720 1.00 0.00 H new ATOM 0 HH21 ARG A 53 82.264 -11.999 -3.208 1.00 0.00 H new ATOM 0 HH22 ARG A 53 81.142 -10.814 -3.885 1.00 0.00 H new ATOM 887 N GLY A 54 78.509 -10.296 2.603 1.00 0.00 N ATOM 888 CA GLY A 54 77.836 -8.970 2.705 1.00 0.00 C ATOM 889 C GLY A 54 76.501 -9.127 3.437 1.00 0.00 C ATOM 890 O GLY A 54 75.741 -8.188 3.567 1.00 0.00 O ATOM 0 H GLY A 54 78.399 -10.772 1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 54 78.475 -8.267 3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 54 77.670 -8.557 1.710 1.00 0.00 H new ATOM 894 N LEU A 55 76.209 -10.305 3.916 1.00 0.00 N ATOM 895 CA LEU A 55 74.926 -10.520 4.639 1.00 0.00 C ATOM 896 C LEU A 55 74.835 -9.553 5.820 1.00 0.00 C ATOM 897 O LEU A 55 75.505 -8.541 5.862 1.00 0.00 O ATOM 898 CB LEU A 55 74.867 -11.959 5.154 1.00 0.00 C ATOM 899 CG LEU A 55 73.471 -12.533 4.911 1.00 0.00 C ATOM 900 CD1 LEU A 55 73.427 -13.208 3.540 1.00 0.00 C ATOM 901 CD2 LEU A 55 73.147 -13.564 5.995 1.00 0.00 C ATOM 0 H LEU A 55 76.805 -11.129 3.837 1.00 0.00 H new ATOM 0 HA LEU A 55 74.093 -10.341 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 55 75.615 -12.568 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.102 -11.985 6.218 1.00 0.00 H new ATOM 0 HG LEU A 55 72.738 -11.727 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 55 72.431 -13.617 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 55 73.657 -12.476 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 55 74.161 -14.013 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 55 72.152 -13.973 5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 55 73.881 -14.369 5.963 1.00 0.00 H new ATOM 0 HD23 LEU A 55 73.177 -13.085 6.974 1.00 0.00 H new ATOM 913 N LEU A 56 74.008 -9.861 6.780 1.00 0.00 N ATOM 914 CA LEU A 56 73.862 -8.973 7.964 1.00 0.00 C ATOM 915 C LEU A 56 75.236 -8.471 8.409 1.00 0.00 C ATOM 916 O LEU A 56 75.368 -7.406 8.979 1.00 0.00 O ATOM 917 CB LEU A 56 73.220 -9.765 9.101 1.00 0.00 C ATOM 918 CG LEU A 56 71.699 -9.633 9.024 1.00 0.00 C ATOM 919 CD1 LEU A 56 71.054 -10.991 9.303 1.00 0.00 C ATOM 920 CD2 LEU A 56 71.222 -8.622 10.069 1.00 0.00 C ATOM 0 H LEU A 56 73.423 -10.697 6.794 1.00 0.00 H new ATOM 0 HA LEU A 56 73.237 -8.119 7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 56 73.508 -10.814 9.034 1.00 0.00 H new ATOM 0 HB3 LEU A 56 73.579 -9.397 10.062 1.00 0.00 H new ATOM 0 HG LEU A 56 71.415 -9.292 8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.969 -10.897 9.248 1.00 0.00 H new ATOM 0 HD12 LEU A 56 71.393 -11.714 8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 56 71.339 -11.331 10.299 1.00 0.00 H new ATOM 0 HD21 LEU A 56 70.137 -8.527 10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 56 71.507 -8.965 11.064 1.00 0.00 H new ATOM 0 HD23 LEU A 56 71.681 -7.653 9.874 1.00 0.00 H new ATOM 932 N MET A 57 76.255 -9.236 8.156 1.00 0.00 N ATOM 933 CA MET A 57 77.627 -8.821 8.563 1.00 0.00 C ATOM 934 C MET A 57 77.834 -7.332 8.267 1.00 0.00 C ATOM 935 O MET A 57 78.119 -6.549 9.151 1.00 0.00 O ATOM 936 CB MET A 57 78.657 -9.641 7.785 1.00 0.00 C ATOM 937 CG MET A 57 79.981 -9.658 8.552 1.00 0.00 C ATOM 938 SD MET A 57 81.219 -10.572 7.598 1.00 0.00 S ATOM 939 CE MET A 57 82.534 -10.537 8.841 1.00 0.00 C ATOM 0 H MET A 57 76.199 -10.137 7.682 1.00 0.00 H new ATOM 0 HA MET A 57 77.750 -8.993 9.632 1.00 0.00 H new ATOM 0 HB2 MET A 57 78.294 -10.659 7.642 1.00 0.00 H new ATOM 0 HB3 MET A 57 78.804 -9.213 6.793 1.00 0.00 H new ATOM 0 HG2 MET A 57 80.323 -8.639 8.730 1.00 0.00 H new ATOM 0 HG3 MET A 57 79.842 -10.123 9.528 1.00 0.00 H new ATOM 0 HE1 MET A 57 83.412 -11.055 8.456 1.00 0.00 H new ATOM 0 HE2 MET A 57 82.793 -9.503 9.067 1.00 0.00 H new ATOM 0 HE3 MET A 57 82.190 -11.032 9.749 1.00 0.00 H new ATOM 949 N MET A 58 77.708 -6.936 7.028 1.00 0.00 N ATOM 950 CA MET A 58 77.913 -5.504 6.680 1.00 0.00 C ATOM 951 C MET A 58 76.617 -4.716 6.889 1.00 0.00 C ATOM 952 O MET A 58 76.618 -3.501 6.905 1.00 0.00 O ATOM 953 CB MET A 58 78.349 -5.390 5.218 1.00 0.00 C ATOM 954 CG MET A 58 77.178 -5.752 4.303 1.00 0.00 C ATOM 955 SD MET A 58 77.783 -5.960 2.608 1.00 0.00 S ATOM 956 CE MET A 58 76.190 -5.768 1.770 1.00 0.00 C ATOM 0 H MET A 58 77.472 -7.544 6.244 1.00 0.00 H new ATOM 0 HA MET A 58 78.687 -5.091 7.327 1.00 0.00 H new ATOM 0 HB2 MET A 58 78.688 -4.376 5.007 1.00 0.00 H new ATOM 0 HB3 MET A 58 79.192 -6.054 5.027 1.00 0.00 H new ATOM 0 HG2 MET A 58 76.704 -6.671 4.647 1.00 0.00 H new ATOM 0 HG3 MET A 58 76.420 -4.970 4.337 1.00 0.00 H new ATOM 0 HE1 MET A 58 76.171 -6.393 0.877 1.00 0.00 H new ATOM 0 HE2 MET A 58 75.387 -6.071 2.442 1.00 0.00 H new ATOM 0 HE3 MET A 58 76.052 -4.725 1.486 1.00 0.00 H new ATOM 966 N VAL A 59 75.509 -5.389 7.040 1.00 0.00 N ATOM 967 CA VAL A 59 74.225 -4.663 7.239 1.00 0.00 C ATOM 968 C VAL A 59 74.281 -3.876 8.552 1.00 0.00 C ATOM 969 O VAL A 59 73.831 -2.750 8.635 1.00 0.00 O ATOM 970 CB VAL A 59 73.061 -5.674 7.255 1.00 0.00 C ATOM 971 CG1 VAL A 59 72.702 -6.082 8.690 1.00 0.00 C ATOM 972 CG2 VAL A 59 71.837 -5.042 6.589 1.00 0.00 C ATOM 0 H VAL A 59 75.438 -6.407 7.034 1.00 0.00 H new ATOM 0 HA VAL A 59 74.064 -3.961 6.421 1.00 0.00 H new ATOM 0 HB VAL A 59 73.371 -6.566 6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 59 71.878 -6.795 8.670 1.00 0.00 H new ATOM 0 HG12 VAL A 59 73.569 -6.542 9.165 1.00 0.00 H new ATOM 0 HG13 VAL A 59 72.404 -5.199 9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 59 71.011 -5.753 6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 59 71.549 -4.144 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 59 72.078 -4.779 5.559 1.00 0.00 H new ATOM 982 N GLY A 60 74.830 -4.462 9.579 1.00 0.00 N ATOM 983 CA GLY A 60 74.917 -3.752 10.886 1.00 0.00 C ATOM 984 C GLY A 60 76.151 -2.848 10.897 1.00 0.00 C ATOM 985 O GLY A 60 76.508 -2.282 11.911 1.00 0.00 O ATOM 0 H GLY A 60 75.223 -5.403 9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.017 -3.159 11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 60 74.975 -4.474 11.701 1.00 0.00 H new ATOM 989 N GLN A 61 76.808 -2.709 9.778 1.00 0.00 N ATOM 990 CA GLN A 61 78.017 -1.846 9.726 1.00 0.00 C ATOM 991 C GLN A 61 77.619 -0.431 9.331 1.00 0.00 C ATOM 992 O GLN A 61 78.423 0.358 8.876 1.00 0.00 O ATOM 993 CB GLN A 61 78.995 -2.401 8.701 1.00 0.00 C ATOM 994 CG GLN A 61 80.255 -2.900 9.411 1.00 0.00 C ATOM 995 CD GLN A 61 80.998 -3.885 8.505 1.00 0.00 C ATOM 996 OE1 GLN A 61 81.096 -3.675 7.312 1.00 0.00 O ATOM 997 NE2 GLN A 61 81.529 -4.958 9.024 1.00 0.00 N ATOM 0 H GLN A 61 76.557 -3.158 8.897 1.00 0.00 H new ATOM 0 HA GLN A 61 78.490 -1.829 10.708 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.531 -3.216 8.146 1.00 0.00 H new ATOM 0 HB3 GLN A 61 79.255 -1.629 7.977 1.00 0.00 H new ATOM 0 HG2 GLN A 61 80.902 -2.059 9.659 1.00 0.00 H new ATOM 0 HG3 GLN A 61 79.988 -3.384 10.350 1.00 0.00 H new ATOM 0 HE21 GLN A 61 81.447 -5.135 10.025 1.00 0.00 H new ATOM 0 HE22 GLN A 61 82.026 -5.620 8.428 1.00 0.00 H new ATOM 1006 N ARG A 62 76.382 -0.116 9.511 1.00 0.00 N ATOM 1007 CA ARG A 62 75.890 1.247 9.163 1.00 0.00 C ATOM 1008 C ARG A 62 75.672 2.045 10.448 1.00 0.00 C ATOM 1009 O ARG A 62 75.572 3.256 10.432 1.00 0.00 O ATOM 1010 CB ARG A 62 74.568 1.136 8.398 1.00 0.00 C ATOM 1011 CG ARG A 62 74.224 2.490 7.774 1.00 0.00 C ATOM 1012 CD ARG A 62 73.401 2.275 6.501 1.00 0.00 C ATOM 1013 NE ARG A 62 72.545 1.065 6.659 1.00 0.00 N ATOM 1014 CZ ARG A 62 71.520 1.091 7.467 1.00 0.00 C ATOM 1015 NH1 ARG A 62 70.503 1.866 7.206 1.00 0.00 N ATOM 1016 NH2 ARG A 62 71.513 0.343 8.537 1.00 0.00 N ATOM 0 H ARG A 62 75.674 -0.746 9.889 1.00 0.00 H new ATOM 0 HA ARG A 62 76.625 1.753 8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 62 74.648 0.375 7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 62 73.771 0.821 9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 62 73.662 3.097 8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 62 75.138 3.037 7.540 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.780 3.149 6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 62 74.063 2.155 5.643 1.00 0.00 H new ATOM 0 HE ARG A 62 72.760 0.216 6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 62 70.509 2.451 6.371 1.00 0.00 H new ATOM 0 HH12 ARG A 62 69.702 1.886 7.837 1.00 0.00 H new ATOM 0 HH21 ARG A 62 72.308 -0.262 8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 62 70.712 0.363 9.168 1.00 0.00 H new ATOM 1030 N ARG A 63 75.602 1.373 11.563 1.00 0.00 N ATOM 1031 CA ARG A 63 75.396 2.084 12.851 1.00 0.00 C ATOM 1032 C ARG A 63 76.667 2.855 13.218 1.00 0.00 C ATOM 1033 O ARG A 63 76.703 3.582 14.190 1.00 0.00 O ATOM 1034 CB ARG A 63 75.081 1.068 13.950 1.00 0.00 C ATOM 1035 CG ARG A 63 73.855 1.534 14.739 1.00 0.00 C ATOM 1036 CD ARG A 63 74.208 2.791 15.535 1.00 0.00 C ATOM 1037 NE ARG A 63 73.094 3.119 16.467 1.00 0.00 N ATOM 1038 CZ ARG A 63 73.351 3.437 17.707 1.00 0.00 C ATOM 1039 NH1 ARG A 63 73.668 4.665 18.013 1.00 0.00 N ATOM 1040 NH2 ARG A 63 73.293 2.526 18.640 1.00 0.00 N ATOM 0 H ARG A 63 75.679 0.359 11.636 1.00 0.00 H new ATOM 0 HA ARG A 63 74.564 2.781 12.752 1.00 0.00 H new ATOM 0 HB2 ARG A 63 74.893 0.088 13.511 1.00 0.00 H new ATOM 0 HB3 ARG A 63 75.937 0.960 14.617 1.00 0.00 H new ATOM 0 HG2 ARG A 63 73.029 1.742 14.059 1.00 0.00 H new ATOM 0 HG3 ARG A 63 73.522 0.745 15.413 1.00 0.00 H new ATOM 0 HD2 ARG A 63 75.130 2.633 16.095 1.00 0.00 H new ATOM 0 HD3 ARG A 63 74.386 3.625 14.857 1.00 0.00 H new ATOM 0 HE ARG A 63 72.129 3.095 16.136 1.00 0.00 H new ATOM 0 HH11 ARG A 63 73.715 5.376 17.284 1.00 0.00 H new ATOM 0 HH12 ARG A 63 73.869 4.914 18.982 1.00 0.00 H new ATOM 0 HH21 ARG A 63 73.047 1.566 18.400 1.00 0.00 H new ATOM 0 HH22 ARG A 63 73.494 2.775 19.609 1.00 0.00 H new ATOM 1054 N ARG A 64 77.710 2.703 12.447 1.00 0.00 N ATOM 1055 CA ARG A 64 78.971 3.424 12.749 1.00 0.00 C ATOM 1056 C ARG A 64 79.745 3.664 11.452 1.00 0.00 C ATOM 1057 O ARG A 64 80.944 3.857 11.462 1.00 0.00 O ATOM 1058 CB ARG A 64 79.824 2.588 13.706 1.00 0.00 C ATOM 1059 CG ARG A 64 80.137 3.408 14.960 1.00 0.00 C ATOM 1060 CD ARG A 64 80.039 2.509 16.194 1.00 0.00 C ATOM 1061 NE ARG A 64 81.335 2.532 16.928 1.00 0.00 N ATOM 1062 CZ ARG A 64 81.891 3.673 17.234 1.00 0.00 C ATOM 1063 NH1 ARG A 64 81.368 4.425 18.163 1.00 0.00 N ATOM 1064 NH2 ARG A 64 82.969 4.061 16.610 1.00 0.00 N ATOM 0 H ARG A 64 77.739 2.108 11.619 1.00 0.00 H new ATOM 0 HA ARG A 64 78.738 4.381 13.215 1.00 0.00 H new ATOM 0 HB2 ARG A 64 79.295 1.675 13.978 1.00 0.00 H new ATOM 0 HB3 ARG A 64 80.749 2.286 13.216 1.00 0.00 H new ATOM 0 HG2 ARG A 64 81.137 3.836 14.887 1.00 0.00 H new ATOM 0 HG3 ARG A 64 79.439 4.241 15.047 1.00 0.00 H new ATOM 0 HD2 ARG A 64 79.234 2.852 16.844 1.00 0.00 H new ATOM 0 HD3 ARG A 64 79.795 1.489 15.896 1.00 0.00 H new ATOM 0 HE ARG A 64 81.788 1.657 17.191 1.00 0.00 H new ATOM 0 HH11 ARG A 64 80.525 4.122 18.650 1.00 0.00 H new ATOM 0 HH12 ARG A 64 81.802 5.316 18.402 1.00 0.00 H new ATOM 0 HH21 ARG A 64 83.377 3.473 15.883 1.00 0.00 H new ATOM 0 HH22 ARG A 64 83.404 4.952 16.849 1.00 0.00 H new ATOM 1078 N LEU A 65 79.071 3.655 10.335 1.00 0.00 N ATOM 1079 CA LEU A 65 79.772 3.886 9.044 1.00 0.00 C ATOM 1080 C LEU A 65 80.412 5.275 9.058 1.00 0.00 C ATOM 1081 O LEU A 65 81.256 5.591 8.245 1.00 0.00 O ATOM 1082 CB LEU A 65 78.769 3.795 7.891 1.00 0.00 C ATOM 1083 CG LEU A 65 79.449 3.170 6.672 1.00 0.00 C ATOM 1084 CD1 LEU A 65 78.580 2.035 6.127 1.00 0.00 C ATOM 1085 CD2 LEU A 65 79.631 4.235 5.589 1.00 0.00 C ATOM 0 H LEU A 65 78.066 3.498 10.262 1.00 0.00 H new ATOM 0 HA LEU A 65 80.545 3.129 8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 65 77.910 3.195 8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 65 78.394 4.788 7.642 1.00 0.00 H new ATOM 0 HG LEU A 65 80.422 2.775 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 65 79.065 1.590 5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 65 78.448 1.275 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 65 77.606 2.430 5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 65 80.116 3.791 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 65 78.657 4.630 5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 65 80.250 5.045 5.975 1.00 0.00 H new ATOM 1097 N LEU A 66 80.010 6.108 9.980 1.00 0.00 N ATOM 1098 CA LEU A 66 80.588 7.478 10.055 1.00 0.00 C ATOM 1099 C LEU A 66 82.092 7.389 10.331 1.00 0.00 C ATOM 1100 O LEU A 66 82.864 8.219 9.894 1.00 0.00 O ATOM 1101 CB LEU A 66 79.906 8.250 11.188 1.00 0.00 C ATOM 1102 CG LEU A 66 79.807 7.359 12.428 1.00 0.00 C ATOM 1103 CD1 LEU A 66 80.634 7.966 13.562 1.00 0.00 C ATOM 1104 CD2 LEU A 66 78.345 7.255 12.864 1.00 0.00 C ATOM 0 H LEU A 66 79.304 5.897 10.686 1.00 0.00 H new ATOM 0 HA LEU A 66 80.427 7.994 9.109 1.00 0.00 H new ATOM 0 HB2 LEU A 66 80.473 9.152 11.420 1.00 0.00 H new ATOM 0 HB3 LEU A 66 78.911 8.570 10.877 1.00 0.00 H new ATOM 0 HG LEU A 66 80.189 6.366 12.192 1.00 0.00 H new ATOM 0 HD11 LEU A 66 80.563 7.331 14.445 1.00 0.00 H new ATOM 0 HD12 LEU A 66 81.676 8.041 13.252 1.00 0.00 H new ATOM 0 HD13 LEU A 66 80.253 8.960 13.799 1.00 0.00 H new ATOM 0 HD21 LEU A 66 78.273 6.620 13.747 1.00 0.00 H new ATOM 0 HD22 LEU A 66 77.964 8.249 13.099 1.00 0.00 H new ATOM 0 HD23 LEU A 66 77.755 6.822 12.057 1.00 0.00 H new ATOM 1116 N ARG A 67 82.510 6.391 11.058 1.00 0.00 N ATOM 1117 CA ARG A 67 83.961 6.247 11.371 1.00 0.00 C ATOM 1118 C ARG A 67 84.782 6.295 10.078 1.00 0.00 C ATOM 1119 O ARG A 67 85.974 6.529 10.102 1.00 0.00 O ATOM 1120 CB ARG A 67 84.198 4.908 12.074 1.00 0.00 C ATOM 1121 CG ARG A 67 85.233 5.090 13.185 1.00 0.00 C ATOM 1122 CD ARG A 67 85.670 3.720 13.707 1.00 0.00 C ATOM 1123 NE ARG A 67 86.421 2.999 12.641 1.00 0.00 N ATOM 1124 CZ ARG A 67 87.652 2.620 12.853 1.00 0.00 C ATOM 1125 NH1 ARG A 67 88.633 3.465 12.688 1.00 0.00 N ATOM 1126 NH2 ARG A 67 87.902 1.395 13.228 1.00 0.00 N ATOM 0 H ARG A 67 81.909 5.667 11.450 1.00 0.00 H new ATOM 0 HA ARG A 67 84.270 7.065 12.022 1.00 0.00 H new ATOM 0 HB2 ARG A 67 83.263 4.534 12.491 1.00 0.00 H new ATOM 0 HB3 ARG A 67 84.546 4.165 11.356 1.00 0.00 H new ATOM 0 HG2 ARG A 67 86.096 5.638 12.806 1.00 0.00 H new ATOM 0 HG3 ARG A 67 84.810 5.682 13.997 1.00 0.00 H new ATOM 0 HD2 ARG A 67 86.296 3.839 14.591 1.00 0.00 H new ATOM 0 HD3 ARG A 67 84.799 3.139 14.009 1.00 0.00 H new ATOM 0 HE ARG A 67 85.973 2.802 11.746 1.00 0.00 H new ATOM 0 HH11 ARG A 67 88.438 4.422 12.393 1.00 0.00 H new ATOM 0 HH12 ARG A 67 89.595 3.169 12.854 1.00 0.00 H new ATOM 0 HH21 ARG A 67 87.136 0.734 13.355 1.00 0.00 H new ATOM 0 HH22 ARG A 67 88.864 1.099 13.394 1.00 0.00 H new ATOM 1140 N TYR A 68 84.162 6.070 8.952 1.00 0.00 N ATOM 1141 CA TYR A 68 84.916 6.097 7.673 1.00 0.00 C ATOM 1142 C TYR A 68 84.668 7.424 6.950 1.00 0.00 C ATOM 1143 O TYR A 68 85.498 8.312 6.963 1.00 0.00 O ATOM 1144 CB TYR A 68 84.455 4.937 6.787 1.00 0.00 C ATOM 1145 CG TYR A 68 85.249 4.933 5.502 1.00 0.00 C ATOM 1146 CD1 TYR A 68 86.595 5.323 5.507 1.00 0.00 C ATOM 1147 CD2 TYR A 68 84.641 4.540 4.304 1.00 0.00 C ATOM 1148 CE1 TYR A 68 87.330 5.318 4.316 1.00 0.00 C ATOM 1149 CE2 TYR A 68 85.375 4.535 3.113 1.00 0.00 C ATOM 1150 CZ TYR A 68 86.721 4.924 3.119 1.00 0.00 C ATOM 1151 OH TYR A 68 87.445 4.919 1.945 1.00 0.00 O ATOM 0 H TYR A 68 83.166 5.869 8.865 1.00 0.00 H new ATOM 0 HA TYR A 68 85.981 5.998 7.881 1.00 0.00 H new ATOM 0 HB2 TYR A 68 84.588 3.991 7.311 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.391 5.034 6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 68 87.065 5.628 6.430 1.00 0.00 H new ATOM 0 HD2 TYR A 68 83.603 4.240 4.299 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.367 5.618 4.321 1.00 0.00 H new ATOM 0 HE2 TYR A 68 84.904 4.231 2.190 1.00 0.00 H new ATOM 0 HH TYR A 68 86.872 4.618 1.209 1.00 0.00 H new ATOM 1161 N LEU A 69 83.538 7.563 6.314 1.00 0.00 N ATOM 1162 CA LEU A 69 83.244 8.829 5.585 1.00 0.00 C ATOM 1163 C LEU A 69 83.166 9.990 6.578 1.00 0.00 C ATOM 1164 O LEU A 69 83.987 10.884 6.569 1.00 0.00 O ATOM 1165 CB LEU A 69 81.909 8.698 4.849 1.00 0.00 C ATOM 1166 CG LEU A 69 81.738 9.878 3.891 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.487 9.592 2.588 1.00 0.00 C ATOM 1168 CD2 LEU A 69 80.251 10.077 3.589 1.00 0.00 C ATOM 0 H LEU A 69 82.805 6.855 6.267 1.00 0.00 H new ATOM 0 HA LEU A 69 84.039 9.022 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.877 7.759 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 69 81.087 8.675 5.565 1.00 0.00 H new ATOM 0 HG LEU A 69 82.141 10.780 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.365 10.433 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 69 83.546 9.449 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 69 82.084 8.690 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 69 80.128 10.918 2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 69 79.849 9.174 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 69 79.716 10.281 4.516 1.00 0.00 H new ATOM 1180 N GLN A 70 82.183 9.985 7.434 1.00 0.00 N ATOM 1181 CA GLN A 70 82.051 11.084 8.425 1.00 0.00 C ATOM 1182 C GLN A 70 83.417 11.374 9.051 1.00 0.00 C ATOM 1183 O GLN A 70 83.683 12.463 9.519 1.00 0.00 O ATOM 1184 CB GLN A 70 81.079 10.650 9.520 1.00 0.00 C ATOM 1185 CG GLN A 70 81.140 11.641 10.680 1.00 0.00 C ATOM 1186 CD GLN A 70 82.289 11.262 11.617 1.00 0.00 C ATOM 1187 OE1 GLN A 70 82.745 10.137 11.614 1.00 0.00 O ATOM 1188 NE2 GLN A 70 82.779 12.162 12.426 1.00 0.00 N ATOM 0 H GLN A 70 81.464 9.264 7.489 1.00 0.00 H new ATOM 0 HA GLN A 70 81.680 11.982 7.931 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.065 10.602 9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.332 9.649 9.870 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.285 12.652 10.301 1.00 0.00 H new ATOM 0 HG3 GLN A 70 80.196 11.637 11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 70 82.396 13.107 12.429 1.00 0.00 H new ATOM 0 HE22 GLN A 70 83.545 11.920 13.055 1.00 0.00 H new ATOM 1197 N ARG A 71 84.275 10.393 9.076 1.00 0.00 N ATOM 1198 CA ARG A 71 85.622 10.582 9.685 1.00 0.00 C ATOM 1199 C ARG A 71 86.523 11.387 8.745 1.00 0.00 C ATOM 1200 O ARG A 71 87.236 12.275 9.168 1.00 0.00 O ATOM 1201 CB ARG A 71 86.254 9.216 9.950 1.00 0.00 C ATOM 1202 CG ARG A 71 86.050 8.835 11.418 1.00 0.00 C ATOM 1203 CD ARG A 71 86.629 9.929 12.315 1.00 0.00 C ATOM 1204 NE ARG A 71 86.913 9.366 13.665 1.00 0.00 N ATOM 1205 CZ ARG A 71 88.145 9.258 14.080 1.00 0.00 C ATOM 1206 NH1 ARG A 71 89.060 8.767 13.289 1.00 0.00 N ATOM 1207 NH2 ARG A 71 88.463 9.640 15.287 1.00 0.00 N ATOM 0 H ARG A 71 84.100 9.462 8.698 1.00 0.00 H new ATOM 0 HA ARG A 71 85.514 11.128 10.622 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.804 8.464 9.302 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.318 9.244 9.715 1.00 0.00 H new ATOM 0 HG2 ARG A 71 84.988 8.704 11.626 1.00 0.00 H new ATOM 0 HG3 ARG A 71 86.536 7.882 11.628 1.00 0.00 H new ATOM 0 HD2 ARG A 71 87.543 10.328 11.876 1.00 0.00 H new ATOM 0 HD3 ARG A 71 85.926 10.758 12.396 1.00 0.00 H new ATOM 0 HE ARG A 71 86.144 9.065 14.264 1.00 0.00 H new ATOM 0 HH11 ARG A 71 88.812 8.468 12.346 1.00 0.00 H new ATOM 0 HH12 ARG A 71 90.023 8.683 13.614 1.00 0.00 H new ATOM 0 HH21 ARG A 71 87.748 10.023 15.906 1.00 0.00 H new ATOM 0 HH22 ARG A 71 89.426 9.556 15.611 1.00 0.00 H new ATOM 1221 N GLU A 72 86.501 11.085 7.474 1.00 0.00 N ATOM 1222 CA GLU A 72 87.361 11.832 6.516 1.00 0.00 C ATOM 1223 C GLU A 72 86.635 13.077 6.022 1.00 0.00 C ATOM 1224 O GLU A 72 86.960 13.647 4.999 1.00 0.00 O ATOM 1225 CB GLU A 72 87.684 10.939 5.330 1.00 0.00 C ATOM 1226 CG GLU A 72 88.691 9.872 5.758 1.00 0.00 C ATOM 1227 CD GLU A 72 89.416 9.328 4.526 1.00 0.00 C ATOM 1228 OE1 GLU A 72 88.757 8.736 3.689 1.00 0.00 O ATOM 1229 OE2 GLU A 72 90.619 9.513 4.442 1.00 0.00 O ATOM 0 H GLU A 72 85.924 10.353 7.060 1.00 0.00 H new ATOM 0 HA GLU A 72 88.281 12.130 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.775 10.468 4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.093 11.534 4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.411 10.297 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.179 9.062 6.278 1.00 0.00 H new ATOM 1236 N ASP A 73 85.660 13.489 6.752 1.00 0.00 N ATOM 1237 CA ASP A 73 84.876 14.696 6.373 1.00 0.00 C ATOM 1238 C ASP A 73 83.624 14.767 7.252 1.00 0.00 C ATOM 1239 O ASP A 73 82.725 13.965 7.104 1.00 0.00 O ATOM 1240 CB ASP A 73 84.462 14.595 4.902 1.00 0.00 C ATOM 1241 CG ASP A 73 84.208 13.130 4.540 1.00 0.00 C ATOM 1242 OD1 ASP A 73 83.294 12.551 5.102 1.00 0.00 O ATOM 1243 OD2 ASP A 73 84.934 12.612 3.706 1.00 0.00 O ATOM 0 H ASP A 73 85.358 13.038 7.616 1.00 0.00 H new ATOM 0 HA ASP A 73 85.481 15.591 6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 73 83.563 15.185 4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 73 85.244 15.007 4.264 1.00 0.00 H new ATOM 1248 N PRO A 74 83.600 15.724 8.148 1.00 0.00 N ATOM 1249 CA PRO A 74 82.464 15.911 9.064 1.00 0.00 C ATOM 1250 C PRO A 74 81.289 16.528 8.312 1.00 0.00 C ATOM 1251 O PRO A 74 80.139 16.309 8.639 1.00 0.00 O ATOM 1252 CB PRO A 74 83.008 16.858 10.135 1.00 0.00 C ATOM 1253 CG PRO A 74 84.208 17.593 9.493 1.00 0.00 C ATOM 1254 CD PRO A 74 84.687 16.709 8.325 1.00 0.00 C ATOM 0 HA PRO A 74 82.093 14.981 9.495 1.00 0.00 H new ATOM 0 HB2 PRO A 74 82.243 17.566 10.453 1.00 0.00 H new ATOM 0 HB3 PRO A 74 83.319 16.305 11.021 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.913 18.580 9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 74 85.006 17.742 10.220 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.844 17.296 7.420 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.633 16.221 8.557 1.00 0.00 H new ATOM 1262 N GLU A 75 81.574 17.279 7.290 1.00 0.00 N ATOM 1263 CA GLU A 75 80.482 17.892 6.493 1.00 0.00 C ATOM 1264 C GLU A 75 79.816 16.788 5.678 1.00 0.00 C ATOM 1265 O GLU A 75 78.614 16.765 5.500 1.00 0.00 O ATOM 1266 CB GLU A 75 81.061 18.953 5.555 1.00 0.00 C ATOM 1267 CG GLU A 75 82.208 19.683 6.255 1.00 0.00 C ATOM 1268 CD GLU A 75 82.123 21.180 5.950 1.00 0.00 C ATOM 1269 OE1 GLU A 75 81.788 21.518 4.826 1.00 0.00 O ATOM 1270 OE2 GLU A 75 82.393 21.963 6.846 1.00 0.00 O ATOM 0 H GLU A 75 82.519 17.495 6.971 1.00 0.00 H new ATOM 0 HA GLU A 75 79.754 18.369 7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 75 81.419 18.486 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 75 80.285 19.663 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 75 82.156 19.517 7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 75 83.165 19.286 5.917 1.00 0.00 H new ATOM 1277 N ARG A 76 80.596 15.858 5.197 1.00 0.00 N ATOM 1278 CA ARG A 76 80.022 14.737 4.411 1.00 0.00 C ATOM 1279 C ARG A 76 79.132 13.904 5.329 1.00 0.00 C ATOM 1280 O ARG A 76 78.307 13.131 4.881 1.00 0.00 O ATOM 1281 CB ARG A 76 81.153 13.864 3.864 1.00 0.00 C ATOM 1282 CG ARG A 76 81.335 14.136 2.371 1.00 0.00 C ATOM 1283 CD ARG A 76 82.782 13.841 1.973 1.00 0.00 C ATOM 1284 NE ARG A 76 83.032 14.345 0.593 1.00 0.00 N ATOM 1285 CZ ARG A 76 84.243 14.349 0.110 1.00 0.00 C ATOM 1286 NH1 ARG A 76 85.154 13.569 0.626 1.00 0.00 N ATOM 1287 NH2 ARG A 76 84.546 15.134 -0.888 1.00 0.00 N ATOM 0 H ARG A 76 81.609 15.829 5.317 1.00 0.00 H new ATOM 0 HA ARG A 76 79.437 15.126 3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 76 82.080 14.075 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.924 12.811 4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 76 80.653 13.514 1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 76 81.089 15.174 2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 76 83.467 14.317 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 76 82.972 12.769 2.020 1.00 0.00 H new ATOM 0 HE ARG A 76 82.256 14.687 0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 76 84.918 12.957 1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 76 86.101 13.572 0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 76 83.835 15.745 -1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 76 85.494 15.137 -1.265 1.00 0.00 H new ATOM 1301 N TYR A 77 79.286 14.060 6.619 1.00 0.00 N ATOM 1302 CA TYR A 77 78.446 13.286 7.567 1.00 0.00 C ATOM 1303 C TYR A 77 77.150 14.048 7.836 1.00 0.00 C ATOM 1304 O TYR A 77 76.606 14.005 8.922 1.00 0.00 O ATOM 1305 CB TYR A 77 79.186 13.092 8.888 1.00 0.00 C ATOM 1306 CG TYR A 77 78.345 12.230 9.800 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.798 11.034 9.320 1.00 0.00 C ATOM 1308 CD2 TYR A 77 78.112 12.626 11.122 1.00 0.00 C ATOM 1309 CE1 TYR A 77 77.017 10.233 10.162 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.331 11.824 11.964 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.785 10.628 11.485 1.00 0.00 C ATOM 1312 OH TYR A 77 76.016 9.839 12.316 1.00 0.00 O ATOM 0 H TYR A 77 79.959 14.692 7.052 1.00 0.00 H new ATOM 0 HA TYR A 77 78.226 12.313 7.128 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.154 12.622 8.712 1.00 0.00 H new ATOM 0 HB3 TYR A 77 79.381 14.057 9.356 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.979 10.729 8.300 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.534 13.549 11.492 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.594 9.311 9.791 1.00 0.00 H new ATOM 0 HE2 TYR A 77 77.150 12.129 12.984 1.00 0.00 H new ATOM 0 HH TYR A 77 75.955 10.257 13.200 1.00 0.00 H new ATOM 1322 N ARG A 78 76.659 14.751 6.861 1.00 0.00 N ATOM 1323 CA ARG A 78 75.411 15.530 7.054 1.00 0.00 C ATOM 1324 C ARG A 78 74.585 15.503 5.769 1.00 0.00 C ATOM 1325 O ARG A 78 73.668 16.280 5.595 1.00 0.00 O ATOM 1326 CB ARG A 78 75.758 16.983 7.405 1.00 0.00 C ATOM 1327 CG ARG A 78 77.118 17.043 8.107 1.00 0.00 C ATOM 1328 CD ARG A 78 76.991 16.469 9.519 1.00 0.00 C ATOM 1329 NE ARG A 78 77.193 17.556 10.518 1.00 0.00 N ATOM 1330 CZ ARG A 78 76.168 18.075 11.134 1.00 0.00 C ATOM 1331 NH1 ARG A 78 75.519 17.376 12.025 1.00 0.00 N ATOM 1332 NH2 ARG A 78 75.789 19.294 10.860 1.00 0.00 N ATOM 0 H ARG A 78 77.072 14.820 5.931 1.00 0.00 H new ATOM 0 HA ARG A 78 74.835 15.088 7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 78 75.780 17.589 6.499 1.00 0.00 H new ATOM 0 HB3 ARG A 78 74.987 17.404 8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 78 77.857 16.478 7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 78 77.470 18.074 8.153 1.00 0.00 H new ATOM 0 HD2 ARG A 78 76.008 16.017 9.652 1.00 0.00 H new ATOM 0 HD3 ARG A 78 77.728 15.680 9.670 1.00 0.00 H new ATOM 0 HE ARG A 78 78.134 17.894 10.720 1.00 0.00 H new ATOM 0 HH11 ARG A 78 75.814 16.423 12.239 1.00 0.00 H new ATOM 0 HH12 ARG A 78 74.717 17.782 12.507 1.00 0.00 H new ATOM 0 HH21 ARG A 78 76.295 19.841 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 78 74.987 19.699 11.342 1.00 0.00 H new ATOM 1346 N ALA A 79 74.900 14.616 4.866 1.00 0.00 N ATOM 1347 CA ALA A 79 74.132 14.548 3.602 1.00 0.00 C ATOM 1348 C ALA A 79 73.816 13.097 3.270 1.00 0.00 C ATOM 1349 O ALA A 79 72.676 12.725 3.077 1.00 0.00 O ATOM 1350 CB ALA A 79 74.950 15.176 2.477 1.00 0.00 C ATOM 0 H ALA A 79 75.657 13.938 4.953 1.00 0.00 H new ATOM 0 HA ALA A 79 73.196 15.096 3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.386 15.127 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.161 16.218 2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.888 14.633 2.362 1.00 0.00 H new ATOM 1356 N LEU A 80 74.813 12.272 3.219 1.00 0.00 N ATOM 1357 CA LEU A 80 74.569 10.837 2.920 1.00 0.00 C ATOM 1358 C LEU A 80 73.907 10.188 4.134 1.00 0.00 C ATOM 1359 O LEU A 80 73.532 9.034 4.107 1.00 0.00 O ATOM 1360 CB LEU A 80 75.896 10.140 2.611 1.00 0.00 C ATOM 1361 CG LEU A 80 75.788 9.412 1.270 1.00 0.00 C ATOM 1362 CD1 LEU A 80 76.171 10.367 0.137 1.00 0.00 C ATOM 1363 CD2 LEU A 80 76.738 8.211 1.265 1.00 0.00 C ATOM 0 H LEU A 80 75.789 12.526 3.371 1.00 0.00 H new ATOM 0 HA LEU A 80 73.916 10.744 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.704 10.871 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 80 76.141 9.432 3.403 1.00 0.00 H new ATOM 0 HG LEU A 80 74.764 9.069 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 80 76.094 9.848 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 80 75.497 11.224 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 80 77.195 10.711 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 80 76.662 7.691 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.762 8.556 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 80 76.467 7.530 2.072 1.00 0.00 H new ATOM 1375 N ILE A 81 73.737 10.929 5.193 1.00 0.00 N ATOM 1376 CA ILE A 81 73.074 10.363 6.387 1.00 0.00 C ATOM 1377 C ILE A 81 71.570 10.359 6.110 1.00 0.00 C ATOM 1378 O ILE A 81 70.837 9.482 6.522 1.00 0.00 O ATOM 1379 CB ILE A 81 73.430 11.201 7.638 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.269 12.117 8.044 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.664 12.047 7.376 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.288 11.324 8.904 1.00 0.00 C ATOM 0 H ILE A 81 74.031 11.902 5.278 1.00 0.00 H new ATOM 0 HA ILE A 81 73.411 9.346 6.586 1.00 0.00 H new ATOM 0 HB ILE A 81 73.629 10.504 8.452 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.644 12.978 8.597 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.766 12.503 7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.901 12.630 8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.505 11.398 7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.473 12.721 6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.459 11.968 9.198 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.906 10.477 8.333 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.798 10.960 9.796 1.00 0.00 H new ATOM 1394 N GLU A 82 71.109 11.339 5.397 1.00 0.00 N ATOM 1395 CA GLU A 82 69.664 11.399 5.077 1.00 0.00 C ATOM 1396 C GLU A 82 69.370 10.610 3.795 1.00 0.00 C ATOM 1397 O GLU A 82 68.226 10.393 3.448 1.00 0.00 O ATOM 1398 CB GLU A 82 69.244 12.858 4.887 1.00 0.00 C ATOM 1399 CG GLU A 82 68.927 13.479 6.248 1.00 0.00 C ATOM 1400 CD GLU A 82 68.040 14.711 6.055 1.00 0.00 C ATOM 1401 OE1 GLU A 82 68.362 15.522 5.203 1.00 0.00 O ATOM 1402 OE2 GLU A 82 67.053 14.822 6.764 1.00 0.00 O ATOM 0 H GLU A 82 71.671 12.103 5.021 1.00 0.00 H new ATOM 0 HA GLU A 82 69.101 10.958 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 82 70.042 13.416 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 82 68.371 12.914 4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 82 68.422 12.751 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 82 69.850 13.759 6.755 1.00 0.00 H new ATOM 1409 N LYS A 83 70.379 10.184 3.076 1.00 0.00 N ATOM 1410 CA LYS A 83 70.115 9.427 1.825 1.00 0.00 C ATOM 1411 C LYS A 83 70.571 7.969 1.965 1.00 0.00 C ATOM 1412 O LYS A 83 70.951 7.341 0.997 1.00 0.00 O ATOM 1413 CB LYS A 83 70.869 10.083 0.667 1.00 0.00 C ATOM 1414 CG LYS A 83 70.389 11.526 0.497 1.00 0.00 C ATOM 1415 CD LYS A 83 71.556 12.403 0.038 1.00 0.00 C ATOM 1416 CE LYS A 83 71.091 13.323 -1.091 1.00 0.00 C ATOM 1417 NZ LYS A 83 70.770 14.669 -0.535 1.00 0.00 N ATOM 0 H LYS A 83 71.363 10.328 3.302 1.00 0.00 H new ATOM 0 HA LYS A 83 69.043 9.440 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.941 10.066 0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 83 70.703 9.523 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 83 69.580 11.568 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 83 69.988 11.900 1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 83 71.930 12.995 0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 83 72.381 11.778 -0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 83 71.869 13.407 -1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 83 70.213 12.901 -1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 70.454 15.295 -1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 70.014 14.581 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 71.618 15.071 -0.088 1.00 0.00 H new ATOM 1431 N LEU A 84 70.544 7.420 3.152 1.00 0.00 N ATOM 1432 CA LEU A 84 70.986 6.009 3.317 1.00 0.00 C ATOM 1433 C LEU A 84 70.194 5.312 4.428 1.00 0.00 C ATOM 1434 O LEU A 84 69.369 4.457 4.176 1.00 0.00 O ATOM 1435 CB LEU A 84 72.472 5.984 3.672 1.00 0.00 C ATOM 1436 CG LEU A 84 73.247 6.828 2.664 1.00 0.00 C ATOM 1437 CD1 LEU A 84 74.698 6.966 3.124 1.00 0.00 C ATOM 1438 CD2 LEU A 84 73.209 6.148 1.293 1.00 0.00 C ATOM 0 H LEU A 84 70.237 7.886 4.006 1.00 0.00 H new ATOM 0 HA LEU A 84 70.811 5.481 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 84 72.623 6.371 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 84 72.842 4.959 3.665 1.00 0.00 H new ATOM 0 HG LEU A 84 72.793 7.816 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 84 75.252 7.569 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.726 7.450 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 84 75.152 5.978 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 84 73.762 6.750 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 84 73.663 5.160 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 84 72.174 6.049 0.964 1.00 0.00 H new ATOM 1450 N GLY A 85 70.460 5.655 5.655 1.00 0.00 N ATOM 1451 CA GLY A 85 69.751 5.002 6.796 1.00 0.00 C ATOM 1452 C GLY A 85 70.697 4.970 7.997 1.00 0.00 C ATOM 1453 O GLY A 85 70.959 3.938 8.580 1.00 0.00 O ATOM 0 H GLY A 85 71.143 6.364 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.843 5.552 7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 85 69.447 3.991 6.525 1.00 0.00 H new ATOM 1457 N ILE A 86 71.231 6.105 8.335 1.00 0.00 N ATOM 1458 CA ILE A 86 72.192 6.218 9.451 1.00 0.00 C ATOM 1459 C ILE A 86 71.440 6.449 10.776 1.00 0.00 C ATOM 1460 O ILE A 86 71.085 5.508 11.458 1.00 0.00 O ATOM 1461 CB ILE A 86 73.092 7.401 9.096 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.861 7.920 10.290 1.00 0.00 C ATOM 1463 CG2 ILE A 86 72.237 8.527 8.549 1.00 0.00 C ATOM 1464 CD1 ILE A 86 74.458 6.751 11.072 1.00 0.00 C ATOM 0 H ILE A 86 71.031 6.988 7.864 1.00 0.00 H new ATOM 0 HA ILE A 86 72.780 5.311 9.588 1.00 0.00 H new ATOM 0 HB ILE A 86 73.813 7.052 8.356 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.654 8.590 9.959 1.00 0.00 H new ATOM 0 HG13 ILE A 86 73.201 8.501 10.934 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.872 9.375 8.293 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.712 8.185 7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.511 8.832 9.303 1.00 0.00 H new ATOM 0 HD11 ILE A 86 75.011 7.132 11.931 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.657 6.097 11.417 1.00 0.00 H new ATOM 0 HD13 ILE A 86 75.133 6.189 10.427 1.00 0.00 H new ATOM 1476 N ARG A 87 71.191 7.674 11.149 1.00 0.00 N ATOM 1477 CA ARG A 87 70.476 7.947 12.401 1.00 0.00 C ATOM 1478 C ARG A 87 69.074 8.448 12.069 1.00 0.00 C ATOM 1479 O ARG A 87 68.333 7.821 11.337 1.00 0.00 O ATOM 1480 CB ARG A 87 71.268 8.997 13.179 1.00 0.00 C ATOM 1481 CG ARG A 87 72.642 8.434 13.544 1.00 0.00 C ATOM 1482 CD ARG A 87 72.631 7.959 14.998 1.00 0.00 C ATOM 1483 NE ARG A 87 73.956 8.231 15.620 1.00 0.00 N ATOM 1484 CZ ARG A 87 74.064 9.131 16.558 1.00 0.00 C ATOM 1485 NH1 ARG A 87 73.705 10.364 16.325 1.00 0.00 N ATOM 1486 NH2 ARG A 87 74.531 8.798 17.731 1.00 0.00 N ATOM 0 H ARG A 87 71.463 8.504 10.621 1.00 0.00 H new ATOM 0 HA ARG A 87 70.382 7.048 13.010 1.00 0.00 H new ATOM 0 HB2 ARG A 87 71.381 9.900 12.579 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.728 9.280 14.082 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.895 7.606 12.882 1.00 0.00 H new ATOM 0 HG3 ARG A 87 73.408 9.197 13.406 1.00 0.00 H new ATOM 0 HD2 ARG A 87 71.845 8.471 15.553 1.00 0.00 H new ATOM 0 HD3 ARG A 87 72.409 6.893 15.042 1.00 0.00 H new ATOM 0 HE ARG A 87 74.779 7.714 15.313 1.00 0.00 H new ATOM 0 HH11 ARG A 87 73.340 10.624 15.409 1.00 0.00 H new ATOM 0 HH12 ARG A 87 73.790 11.067 17.059 1.00 0.00 H new ATOM 0 HH21 ARG A 87 74.811 7.834 17.914 1.00 0.00 H new ATOM 0 HH22 ARG A 87 74.616 9.501 18.465 1.00 0.00 H new ATOM 1500 N GLY A 88 68.711 9.564 12.597 1.00 0.00 N ATOM 1501 CA GLY A 88 67.357 10.125 12.325 1.00 0.00 C ATOM 1502 C GLY A 88 67.493 11.553 11.795 1.00 0.00 C ATOM 1503 O GLY A 88 66.518 12.064 11.268 1.00 0.00 O ATOM 1504 OXT GLY A 88 68.569 12.113 11.925 1.00 0.00 O ATOM 0 H GLY A 88 69.294 10.128 13.215 1.00 0.00 H new ATOM 0 HA2 GLY A 88 66.834 9.504 11.598 1.00 0.00 H new ATOM 0 HA3 GLY A 88 66.760 10.120 13.237 1.00 0.00 H new