USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 567 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 66 HIS : no HD1:sc= -0.025 X(o=-0.49,f=-0.48) USER MOD Set 1.2: A 70 MET CE :methyl -178:sc= -0.467 (180deg=-0.476) USER MOD Set 2.1: A 43 CYS SG : rot 90:sc= -0.288 USER MOD Set 2.2: A 68 MET CE :methyl -156:sc= -0.239 (180deg=-0.338) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 14 MET CE :methyl -164:sc= -0.0622 (180deg=-0.417) USER MOD Single : A 15 CYS SG : rot 74:sc= -0.837 USER MOD Single : A 16 MET CE :methyl -163:sc= -0.293 (180deg=-0.839) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 83:sc= 0.0363 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0183 K(o=-0.018,f=-1.1) USER MOD Single : A 48 TYR OH : rot 126:sc= 0.164 USER MOD Single : A 51 MET CE :methyl -113:sc=-0.00694 (180deg=-0.847) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 8 -0.154 -0.873 -0.923 1.00 0.00 N ATOM 2 CA ILE A 8 1.301 -0.801 -0.857 1.00 0.00 C ATOM 3 C ILE A 8 1.792 0.624 -1.080 1.00 0.00 C ATOM 4 O ILE A 8 2.906 0.975 -0.689 1.00 0.00 O ATOM 5 CB ILE A 8 1.945 -1.735 -1.897 1.00 0.00 C ATOM 6 CG1 ILE A 8 1.549 -1.312 -3.314 1.00 0.00 C ATOM 7 CG2 ILE A 8 1.542 -3.179 -1.637 1.00 0.00 C ATOM 8 CD1 ILE A 8 2.301 -2.043 -4.402 1.00 0.00 C ATOM 0 HA ILE A 8 1.597 -1.122 0.142 1.00 0.00 H new ATOM 0 HB ILE A 8 3.029 -1.659 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.480 -1.480 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.719 -0.241 -3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.006 -3.826 -2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.873 -3.476 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.458 -3.271 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.966 -1.689 -5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.369 -1.855 -4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.111 -3.113 -4.320 1.00 0.00 H new ATOM 20 N GLY A 9 0.956 1.441 -1.711 1.00 0.00 N ATOM 21 CA GLY A 9 1.289 2.839 -1.955 1.00 0.00 C ATOM 22 C GLY A 9 1.489 3.595 -0.648 1.00 0.00 C ATOM 23 O GLY A 9 2.524 4.227 -0.437 1.00 0.00 O ATOM 0 H GLY A 9 0.041 1.158 -2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.197 2.900 -2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.493 3.310 -2.532 1.00 0.00 H new ATOM 27 N TRP A 10 0.492 3.526 0.227 1.00 0.00 N ATOM 28 CA TRP A 10 0.563 4.191 1.523 1.00 0.00 C ATOM 29 C TRP A 10 1.793 3.746 2.304 1.00 0.00 C ATOM 30 O TRP A 10 2.424 4.545 2.995 1.00 0.00 O ATOM 31 CB TRP A 10 -0.697 3.900 2.341 1.00 0.00 C ATOM 32 CG TRP A 10 -0.825 2.465 2.755 1.00 0.00 C ATOM 33 CD1 TRP A 10 -1.412 1.461 2.044 1.00 0.00 C ATOM 34 CD2 TRP A 10 -0.352 1.863 3.984 1.00 0.00 C ATOM 35 NE1 TRP A 10 -1.339 0.282 2.743 1.00 0.00 N ATOM 36 CE2 TRP A 10 -0.692 0.509 3.932 1.00 0.00 C ATOM 37 CE3 TRP A 10 0.323 2.358 5.107 1.00 0.00 C ATOM 38 CZ2 TRP A 10 -0.383 -0.365 4.962 1.00 0.00 C ATOM 39 CZ3 TRP A 10 0.634 1.481 6.139 1.00 0.00 C ATOM 40 CH2 TRP A 10 0.290 0.154 6.068 1.00 0.00 C ATOM 0 H TRP A 10 -0.376 3.016 0.062 1.00 0.00 H new ATOM 0 HA TRP A 10 0.637 5.263 1.342 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -0.695 4.528 3.232 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -1.573 4.180 1.756 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -1.868 1.576 1.072 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -1.706 -0.617 2.430 1.00 0.00 H new ATOM 0 HE3 TRP A 10 0.596 3.401 5.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.653 -1.409 4.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 1.155 1.849 7.011 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.546 -0.503 6.886 1.00 0.00 H new ATOM 51 N LEU A 11 2.128 2.465 2.190 1.00 0.00 N ATOM 52 CA LEU A 11 3.267 1.905 2.907 1.00 0.00 C ATOM 53 C LEU A 11 4.581 2.469 2.382 1.00 0.00 C ATOM 54 O LEU A 11 5.452 2.864 3.157 1.00 0.00 O ATOM 55 CB LEU A 11 3.273 0.376 2.781 1.00 0.00 C ATOM 56 CG LEU A 11 4.373 -0.352 3.564 1.00 0.00 C ATOM 57 CD1 LEU A 11 4.202 -0.079 5.053 1.00 0.00 C ATOM 58 CD2 LEU A 11 4.304 -1.843 3.270 1.00 0.00 C ATOM 0 H LEU A 11 1.626 1.795 1.607 1.00 0.00 H new ATOM 0 HA LEU A 11 3.170 2.182 3.957 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.306 -0.001 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.371 0.117 1.727 1.00 0.00 H new ATOM 0 HG LEU A 11 5.353 0.014 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.983 -0.596 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.274 0.993 5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.226 -0.438 5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.086 -2.360 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.330 -2.228 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.447 -2.010 2.202 1.00 0.00 H new ATOM 70 N GLN A 12 4.718 2.503 1.061 1.00 0.00 N ATOM 71 CA GLN A 12 5.896 3.084 0.427 1.00 0.00 C ATOM 72 C GLN A 12 6.053 4.553 0.798 1.00 0.00 C ATOM 73 O GLN A 12 7.163 5.028 1.036 1.00 0.00 O ATOM 74 CB GLN A 12 5.815 2.935 -1.094 1.00 0.00 C ATOM 75 CG GLN A 12 7.043 3.435 -1.835 1.00 0.00 C ATOM 76 CD GLN A 12 6.931 3.244 -3.336 1.00 0.00 C ATOM 77 OE1 GLN A 12 5.894 2.811 -3.845 1.00 0.00 O ATOM 78 NE2 GLN A 12 8.001 3.567 -4.054 1.00 0.00 N ATOM 0 H GLN A 12 4.027 2.135 0.408 1.00 0.00 H new ATOM 0 HA GLN A 12 6.770 2.543 0.791 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.661 1.884 -1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.941 3.477 -1.455 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.190 4.493 -1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.924 2.908 -1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.838 3.922 -3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.986 3.460 -5.068 1.00 0.00 H new ATOM 87 N GLU A 13 4.935 5.269 0.846 1.00 0.00 N ATOM 88 CA GLU A 13 4.942 6.679 1.218 1.00 0.00 C ATOM 89 C GLU A 13 5.501 6.875 2.621 1.00 0.00 C ATOM 90 O GLU A 13 6.347 7.740 2.848 1.00 0.00 O ATOM 91 CB GLU A 13 3.529 7.260 1.135 1.00 0.00 C ATOM 92 CG GLU A 13 3.009 7.449 -0.283 1.00 0.00 C ATOM 93 CD GLU A 13 1.557 7.834 -0.326 1.00 0.00 C ATOM 94 OE1 GLU A 13 0.939 7.868 0.711 1.00 0.00 O ATOM 95 OE2 GLU A 13 1.064 8.096 -1.399 1.00 0.00 O1- ATOM 0 H GLU A 13 4.011 4.895 0.631 1.00 0.00 H new ATOM 0 HA GLU A 13 5.587 7.206 0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.847 6.603 1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.515 8.223 1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.599 8.218 -0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.152 6.525 -0.843 1.00 0.00 H new ATOM 102 N MET A 14 5.024 6.066 3.561 1.00 0.00 N ATOM 103 CA MET A 14 5.509 6.117 4.935 1.00 0.00 C ATOM 104 C MET A 14 7.002 5.823 5.003 1.00 0.00 C ATOM 105 O MET A 14 7.745 6.496 5.718 1.00 0.00 O ATOM 106 CB MET A 14 4.732 5.132 5.806 1.00 0.00 C ATOM 107 CG MET A 14 3.293 5.540 6.088 1.00 0.00 C ATOM 108 SD MET A 14 3.175 7.108 6.973 1.00 0.00 S ATOM 109 CE MET A 14 3.905 6.664 8.546 1.00 0.00 C ATOM 0 H MET A 14 4.301 5.366 3.396 1.00 0.00 H new ATOM 0 HA MET A 14 5.349 7.126 5.314 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.731 4.157 5.318 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.256 5.014 6.755 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.750 5.617 5.146 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.806 4.760 6.673 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.655 7.421 9.290 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.517 5.697 8.867 1.00 0.00 H new ATOM 0 HE3 MET A 14 4.988 6.603 8.440 1.00 0.00 H new ATOM 119 N CYS A 15 7.436 4.815 4.254 1.00 0.00 N ATOM 120 CA CYS A 15 8.842 4.429 4.229 1.00 0.00 C ATOM 121 C CYS A 15 9.718 5.573 3.733 1.00 0.00 C ATOM 122 O CYS A 15 10.780 5.842 4.295 1.00 0.00 O ATOM 123 CB CYS A 15 9.049 3.209 3.330 1.00 0.00 C ATOM 124 SG CYS A 15 8.281 1.695 3.953 1.00 0.00 S ATOM 0 H CYS A 15 6.833 4.250 3.656 1.00 0.00 H new ATOM 0 HA CYS A 15 9.131 4.181 5.250 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.647 3.427 2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.119 3.038 3.208 1.00 0.00 H new ATOM 0 HG CYS A 15 6.994 1.760 3.783 1.00 0.00 H new ATOM 130 N MET A 16 9.267 6.243 2.678 1.00 0.00 N ATOM 131 CA MET A 16 9.967 7.410 2.156 1.00 0.00 C ATOM 132 C MET A 16 10.022 8.528 3.189 1.00 0.00 C ATOM 133 O MET A 16 11.051 9.182 3.356 1.00 0.00 O ATOM 134 CB MET A 16 9.294 7.900 0.875 1.00 0.00 C ATOM 135 CG MET A 16 9.496 6.992 -0.330 1.00 0.00 C ATOM 136 SD MET A 16 8.943 7.748 -1.871 1.00 0.00 S ATOM 137 CE MET A 16 7.166 7.669 -1.668 1.00 0.00 C ATOM 0 H MET A 16 8.419 5.997 2.167 1.00 0.00 H new ATOM 0 HA MET A 16 10.991 7.116 1.927 1.00 0.00 H new ATOM 0 HB2 MET A 16 8.225 8.006 1.059 1.00 0.00 H new ATOM 0 HB3 MET A 16 9.677 8.892 0.635 1.00 0.00 H new ATOM 0 HG2 MET A 16 10.552 6.736 -0.414 1.00 0.00 H new ATOM 0 HG3 MET A 16 8.954 6.060 -0.172 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.683 7.811 -2.635 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.889 6.696 -1.263 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.843 8.453 -0.983 1.00 0.00 H new ATOM 147 N GLN A 17 8.908 8.743 3.880 1.00 0.00 N ATOM 148 CA GLN A 17 8.842 9.749 4.934 1.00 0.00 C ATOM 149 C GLN A 17 9.760 9.390 6.095 1.00 0.00 C ATOM 150 O GLN A 17 10.252 10.269 6.804 1.00 0.00 O ATOM 151 CB GLN A 17 7.404 9.907 5.434 1.00 0.00 C ATOM 152 CG GLN A 17 6.474 10.594 4.449 1.00 0.00 C ATOM 153 CD GLN A 17 5.041 10.647 4.945 1.00 0.00 C ATOM 154 OE1 GLN A 17 4.740 10.215 6.061 1.00 0.00 O ATOM 155 NE2 GLN A 17 4.149 11.178 4.117 1.00 0.00 N ATOM 0 H GLN A 17 8.037 8.234 3.729 1.00 0.00 H new ATOM 0 HA GLN A 17 9.178 10.696 4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.002 8.921 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.415 10.476 6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.829 11.608 4.265 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.506 10.067 3.495 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.443 11.523 3.203 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.170 11.241 4.395 1.00 0.00 H new ATOM 164 N ARG A 18 9.988 8.095 6.285 1.00 0.00 N ATOM 165 CA ARG A 18 10.883 7.620 7.334 1.00 0.00 C ATOM 166 C ARG A 18 12.313 7.500 6.824 1.00 0.00 C ATOM 167 O ARG A 18 13.189 6.986 7.520 1.00 0.00 O ATOM 168 CB ARG A 18 10.421 6.270 7.861 1.00 0.00 C ATOM 169 CG ARG A 18 9.100 6.296 8.614 1.00 0.00 C ATOM 170 CD ARG A 18 8.635 4.927 8.955 1.00 0.00 C ATOM 171 NE ARG A 18 7.358 4.945 9.650 1.00 0.00 N ATOM 172 CZ ARG A 18 6.600 3.856 9.885 1.00 0.00 C ATOM 173 NH1 ARG A 18 7.003 2.674 9.476 1.00 0.00 N1+ ATOM 174 NH2 ARG A 18 5.451 3.977 10.528 1.00 0.00 N ATOM 0 H ARG A 18 9.565 7.355 5.725 1.00 0.00 H new ATOM 0 HA ARG A 18 10.858 8.351 8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.331 5.580 7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.191 5.871 8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.213 6.880 9.527 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.345 6.796 8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.544 4.337 8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.381 4.435 9.579 1.00 0.00 H new ATOM 0 HE ARG A 18 7.012 5.845 9.983 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.890 2.581 8.981 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.429 1.850 9.654 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.139 4.894 10.846 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.877 3.153 10.706 1.00 0.00 H new ATOM 188 N ARG A 19 12.544 7.978 5.606 1.00 0.00 N ATOM 189 CA ARG A 19 13.886 8.012 5.038 1.00 0.00 C ATOM 190 C ARG A 19 14.482 6.613 4.947 1.00 0.00 C ATOM 191 O ARG A 19 15.661 6.410 5.237 1.00 0.00 O ATOM 192 CB ARG A 19 14.799 8.895 5.875 1.00 0.00 C ATOM 193 CG ARG A 19 14.392 10.359 5.936 1.00 0.00 C ATOM 194 CD ARG A 19 15.355 11.164 6.731 1.00 0.00 C ATOM 195 NE ARG A 19 14.883 12.523 6.941 1.00 0.00 N ATOM 196 CZ ARG A 19 15.547 13.465 7.638 1.00 0.00 C ATOM 197 NH1 ARG A 19 16.708 13.181 8.185 1.00 0.00 N1+ ATOM 198 NH2 ARG A 19 15.032 14.674 7.772 1.00 0.00 N ATOM 0 H ARG A 19 11.818 8.348 4.993 1.00 0.00 H new ATOM 0 HA ARG A 19 13.805 8.425 4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.832 8.499 6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 19 15.811 8.830 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.329 10.762 4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.398 10.442 6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.520 10.684 7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.317 11.189 6.219 1.00 0.00 H new ATOM 0 HE ARG A 19 13.985 12.781 6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.106 12.247 8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.211 13.894 8.713 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.131 14.894 7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.535 15.387 8.300 1.00 0.00 H new ATOM 212 N TRP A 20 13.660 5.650 4.543 1.00 0.00 N ATOM 213 CA TRP A 20 14.112 4.274 4.383 1.00 0.00 C ATOM 214 C TRP A 20 14.406 3.957 2.922 1.00 0.00 C ATOM 215 O TRP A 20 13.924 4.641 2.020 1.00 0.00 O ATOM 216 CB TRP A 20 13.060 3.301 4.918 1.00 0.00 C ATOM 217 CG TRP A 20 12.951 3.299 6.413 1.00 0.00 C ATOM 218 CD1 TRP A 20 13.776 3.936 7.291 1.00 0.00 C ATOM 219 CD2 TRP A 20 11.953 2.626 7.217 1.00 0.00 C ATOM 220 NE1 TRP A 20 13.364 3.705 8.580 1.00 0.00 N ATOM 221 CE2 TRP A 20 12.248 2.907 8.554 1.00 0.00 C ATOM 222 CE3 TRP A 20 10.848 1.820 6.914 1.00 0.00 C ATOM 223 CZ2 TRP A 20 11.481 2.410 9.595 1.00 0.00 C ATOM 224 CZ3 TRP A 20 10.078 1.323 7.958 1.00 0.00 C ATOM 225 CH2 TRP A 20 10.386 1.611 9.264 1.00 0.00 C ATOM 0 H TRP A 20 12.676 5.798 4.320 1.00 0.00 H new ATOM 0 HA TRP A 20 15.033 4.159 4.954 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.090 3.557 4.492 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.302 2.294 4.578 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.630 4.536 7.013 1.00 0.00 H new ATOM 0 HE1 TRP A 20 13.814 4.068 9.420 1.00 0.00 H new ATOM 0 HE3 TRP A 20 10.600 1.589 5.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.722 2.633 10.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 9.223 0.700 7.738 1.00 0.00 H new ATOM 0 HH2 TRP A 20 9.767 1.210 10.053 1.00 0.00 H new ATOM 236 N PRO A 21 15.200 2.915 2.696 1.00 0.00 N ATOM 237 CA PRO A 21 15.519 2.475 1.343 1.00 0.00 C ATOM 238 C PRO A 21 14.254 2.218 0.535 1.00 0.00 C ATOM 239 O PRO A 21 13.237 1.785 1.077 1.00 0.00 O ATOM 240 CB PRO A 21 16.311 1.185 1.579 1.00 0.00 C ATOM 241 CG PRO A 21 16.928 1.375 2.922 1.00 0.00 C ATOM 242 CD PRO A 21 15.875 2.098 3.719 1.00 0.00 C ATOM 0 HA PRO A 21 16.075 3.215 0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.662 0.310 1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 21 17.069 1.037 0.810 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.186 0.420 3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.847 1.957 2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.187 1.405 4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.313 2.713 4.505 1.00 0.00 H new ATOM 250 N PRO A 22 14.323 2.486 -0.764 1.00 0.00 N ATOM 251 CA PRO A 22 13.183 2.284 -1.651 1.00 0.00 C ATOM 252 C PRO A 22 12.588 0.893 -1.474 1.00 0.00 C ATOM 253 O PRO A 22 13.226 -0.111 -1.793 1.00 0.00 O ATOM 254 CB PRO A 22 13.793 2.464 -3.044 1.00 0.00 C ATOM 255 CG PRO A 22 14.892 3.450 -2.837 1.00 0.00 C ATOM 256 CD PRO A 22 15.485 3.076 -1.505 1.00 0.00 C ATOM 0 HA PRO A 22 12.359 2.970 -1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.173 1.521 -3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.056 2.833 -3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.634 3.391 -3.633 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.513 4.472 -2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 22 16.299 2.359 -1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 22 15.893 3.945 -0.988 1.00 0.00 H new ATOM 264 N PRO A 23 11.363 0.839 -0.963 1.00 0.00 N ATOM 265 CA PRO A 23 10.658 -0.426 -0.792 1.00 0.00 C ATOM 266 C PRO A 23 10.566 -1.187 -2.108 1.00 0.00 C ATOM 267 O PRO A 23 10.344 -0.596 -3.164 1.00 0.00 O ATOM 268 CB PRO A 23 9.277 0.013 -0.295 1.00 0.00 C ATOM 269 CG PRO A 23 9.529 1.318 0.380 1.00 0.00 C ATOM 270 CD PRO A 23 10.570 1.988 -0.476 1.00 0.00 C ATOM 0 HA PRO A 23 11.158 -1.110 -0.106 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.573 0.121 -1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.851 -0.716 0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.620 1.916 0.441 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.885 1.175 1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.122 2.550 -1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.178 2.689 0.096 1.00 0.00 H new ATOM 278 N SER A 24 10.739 -2.503 -2.037 1.00 0.00 N ATOM 279 CA SER A 24 10.670 -3.349 -3.223 1.00 0.00 C ATOM 280 C SER A 24 9.358 -4.121 -3.273 1.00 0.00 C ATOM 281 O SER A 24 9.007 -4.831 -2.331 1.00 0.00 O ATOM 282 CB SER A 24 11.838 -4.317 -3.242 1.00 0.00 C ATOM 283 OG SER A 24 11.736 -5.205 -4.321 1.00 0.00 O ATOM 0 H SER A 24 10.928 -3.007 -1.170 1.00 0.00 H new ATOM 0 HA SER A 24 10.720 -2.704 -4.100 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.774 -3.762 -3.310 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.867 -4.877 -2.307 1.00 0.00 H new ATOM 0 HG SER A 24 12.500 -5.818 -4.313 1.00 0.00 H new ATOM 289 N TYR A 25 8.636 -3.978 -4.379 1.00 0.00 N ATOM 290 CA TYR A 25 7.377 -4.688 -4.569 1.00 0.00 C ATOM 291 C TYR A 25 7.405 -5.532 -5.837 1.00 0.00 C ATOM 292 O TYR A 25 7.930 -5.106 -6.866 1.00 0.00 O ATOM 293 CB TYR A 25 6.207 -3.702 -4.615 1.00 0.00 C ATOM 294 CG TYR A 25 6.041 -2.893 -3.347 1.00 0.00 C ATOM 295 CD1 TYR A 25 6.495 -1.583 -3.295 1.00 0.00 C ATOM 296 CD2 TYR A 25 5.435 -3.462 -2.237 1.00 0.00 C ATOM 297 CE1 TYR A 25 6.343 -0.845 -2.137 1.00 0.00 C ATOM 298 CE2 TYR A 25 5.283 -2.723 -1.079 1.00 0.00 C ATOM 299 CZ TYR A 25 5.734 -1.420 -1.027 1.00 0.00 C ATOM 300 OH TYR A 25 5.583 -0.685 0.126 1.00 0.00 O ATOM 0 H TYR A 25 8.902 -3.376 -5.158 1.00 0.00 H new ATOM 0 HA TYR A 25 7.241 -5.358 -3.720 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.351 -3.021 -5.454 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.286 -4.253 -4.806 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.967 -1.140 -4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.082 -4.482 -2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.696 0.175 -2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.811 -3.166 -0.214 1.00 0.00 H new ATOM 0 HH TYR A 25 4.785 -0.121 0.052 1.00 0.00 H new ATOM 310 N GLU A 26 6.838 -6.731 -5.757 1.00 0.00 N ATOM 311 CA GLU A 26 6.697 -7.591 -6.926 1.00 0.00 C ATOM 312 C GLU A 26 5.263 -8.079 -7.081 1.00 0.00 C ATOM 313 O GLU A 26 4.590 -8.382 -6.096 1.00 0.00 O ATOM 314 CB GLU A 26 7.645 -8.788 -6.824 1.00 0.00 C ATOM 315 CG GLU A 26 9.122 -8.421 -6.806 1.00 0.00 C ATOM 316 CD GLU A 26 10.022 -9.621 -6.709 1.00 0.00 C ATOM 317 OE1 GLU A 26 9.516 -10.715 -6.634 1.00 0.00 O ATOM 318 OE2 GLU A 26 11.218 -9.444 -6.710 1.00 0.00 O1- ATOM 0 H GLU A 26 6.468 -7.129 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 26 6.956 -7.002 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.411 -9.345 -5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.459 -9.456 -7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.364 -7.864 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.316 -7.758 -5.963 1.00 0.00 H new ATOM 325 N THR A 27 4.800 -8.153 -8.324 1.00 0.00 N ATOM 326 CA THR A 27 3.413 -8.506 -8.606 1.00 0.00 C ATOM 327 C THR A 27 3.326 -9.787 -9.425 1.00 0.00 C ATOM 328 O THR A 27 3.943 -9.900 -10.485 1.00 0.00 O ATOM 329 CB THR A 27 2.691 -7.366 -9.349 1.00 0.00 C ATOM 330 OG1 THR A 27 2.692 -6.186 -8.535 1.00 0.00 O ATOM 331 CG2 THR A 27 1.256 -7.760 -9.663 1.00 0.00 C ATOM 0 H THR A 27 5.366 -7.973 -9.154 1.00 0.00 H new ATOM 0 HA THR A 27 2.920 -8.669 -7.648 1.00 0.00 H new ATOM 0 HB THR A 27 3.216 -7.171 -10.284 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.234 -5.461 -9.009 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.761 -6.943 -10.188 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.252 -8.650 -10.292 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.725 -7.969 -8.735 1.00 0.00 H new ATOM 339 N GLU A 28 2.557 -10.750 -8.929 1.00 0.00 N ATOM 340 CA GLU A 28 2.282 -11.972 -9.675 1.00 0.00 C ATOM 341 C GLU A 28 1.036 -11.821 -10.538 1.00 0.00 C ATOM 342 O GLU A 28 0.179 -10.981 -10.266 1.00 0.00 O ATOM 343 CB GLU A 28 2.112 -13.154 -8.718 1.00 0.00 C ATOM 344 CG GLU A 28 3.359 -13.500 -7.918 1.00 0.00 C ATOM 345 CD GLU A 28 4.523 -13.888 -8.786 1.00 0.00 C ATOM 346 OE1 GLU A 28 4.374 -14.786 -9.580 1.00 0.00 O ATOM 347 OE2 GLU A 28 5.563 -13.285 -8.657 1.00 0.00 O1- ATOM 0 H GLU A 28 2.112 -10.708 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 28 3.132 -12.161 -10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.301 -12.931 -8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.809 -14.030 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.640 -12.644 -7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.131 -14.320 -7.237 1.00 0.00 H new ATOM 354 N THR A 29 0.942 -12.640 -11.580 1.00 0.00 N ATOM 355 CA THR A 29 -0.147 -12.533 -12.543 1.00 0.00 C ATOM 356 C THR A 29 -0.808 -13.885 -12.780 1.00 0.00 C ATOM 357 O THR A 29 -0.132 -14.879 -13.042 1.00 0.00 O ATOM 358 CB THR A 29 0.351 -11.959 -13.882 1.00 0.00 C ATOM 359 OG1 THR A 29 0.913 -10.658 -13.668 1.00 0.00 O ATOM 360 CG2 THR A 29 -0.796 -11.853 -14.877 1.00 0.00 C ATOM 0 H THR A 29 1.608 -13.386 -11.779 1.00 0.00 H new ATOM 0 HA THR A 29 -0.885 -11.851 -12.120 1.00 0.00 H new ATOM 0 HB THR A 29 1.110 -12.629 -14.287 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.231 -10.295 -14.521 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.425 -11.445 -15.817 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.219 -12.842 -15.052 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.567 -11.195 -14.475 1.00 0.00 H new ATOM 368 N GLU A 30 -2.133 -13.915 -12.686 1.00 0.00 N ATOM 369 CA GLU A 30 -2.890 -15.139 -12.915 1.00 0.00 C ATOM 370 C GLU A 30 -2.379 -16.275 -12.037 1.00 0.00 C ATOM 371 O GLU A 30 -1.891 -17.288 -12.538 1.00 0.00 O ATOM 372 CB GLU A 30 -2.814 -15.546 -14.388 1.00 0.00 C ATOM 373 CG GLU A 30 -3.491 -14.575 -15.344 1.00 0.00 C ATOM 374 CD GLU A 30 -3.326 -14.964 -16.787 1.00 0.00 C ATOM 375 OE1 GLU A 30 -2.789 -16.015 -17.042 1.00 0.00 O ATOM 376 OE2 GLU A 30 -3.739 -14.209 -17.636 1.00 0.00 O1- ATOM 0 H GLU A 30 -2.705 -13.104 -12.452 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.929 -14.942 -12.651 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.766 -15.645 -14.671 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.270 -16.529 -14.505 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.553 -14.521 -15.107 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.079 -13.577 -15.193 1.00 0.00 H new ATOM 383 N VAL A 31 -2.493 -16.099 -10.725 1.00 0.00 N ATOM 384 CA VAL A 31 -2.083 -17.127 -9.776 1.00 0.00 C ATOM 385 C VAL A 31 -3.180 -18.166 -9.580 1.00 0.00 C ATOM 386 O VAL A 31 -4.349 -17.822 -9.404 1.00 0.00 O ATOM 387 CB VAL A 31 -1.733 -16.491 -8.418 1.00 0.00 C ATOM 388 CG1 VAL A 31 -1.380 -17.567 -7.401 1.00 0.00 C ATOM 389 CG2 VAL A 31 -0.582 -15.510 -8.586 1.00 0.00 C ATOM 0 H VAL A 31 -2.866 -15.253 -10.294 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.203 -17.623 -10.185 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.603 -15.948 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.135 -17.100 -6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.230 -18.236 -7.270 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.521 -18.136 -7.757 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.340 -15.064 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.291 -16.036 -8.972 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.871 -14.726 -9.286 1.00 0.00 H new ATOM 399 N GLY A 32 -2.796 -19.437 -9.610 1.00 0.00 N ATOM 400 CA GLY A 32 -3.736 -20.527 -9.377 1.00 0.00 C ATOM 401 C GLY A 32 -4.450 -20.923 -10.663 1.00 0.00 C ATOM 402 O GLY A 32 -3.869 -20.876 -11.747 1.00 0.00 O ATOM 0 H GLY A 32 -1.839 -19.738 -9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.205 -21.389 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.469 -20.225 -8.629 1.00 0.00 H new ATOM 406 N LEU A 33 -5.714 -21.314 -10.536 1.00 0.00 N ATOM 407 CA LEU A 33 -6.484 -21.797 -11.675 1.00 0.00 C ATOM 408 C LEU A 33 -6.895 -20.649 -12.589 1.00 0.00 C ATOM 409 O LEU A 33 -7.119 -19.529 -12.131 1.00 0.00 O ATOM 410 CB LEU A 33 -7.733 -22.546 -11.192 1.00 0.00 C ATOM 411 CG LEU A 33 -7.470 -23.819 -10.377 1.00 0.00 C ATOM 412 CD1 LEU A 33 -8.793 -24.382 -9.874 1.00 0.00 C ATOM 413 CD2 LEU A 33 -6.737 -24.834 -11.242 1.00 0.00 C ATOM 0 H LEU A 33 -6.227 -21.305 -9.654 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.850 -22.478 -12.242 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.331 -21.865 -10.586 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.335 -22.811 -12.061 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.845 -23.587 -9.515 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.607 -25.286 -9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.287 -23.643 -9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.433 -24.620 -10.723 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.550 -25.738 -10.663 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.347 -25.079 -12.111 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.788 -24.412 -11.572 1.00 0.00 H new ATOM 425 N PRO A 34 -6.994 -20.936 -13.882 1.00 0.00 N ATOM 426 CA PRO A 34 -7.468 -19.954 -14.850 1.00 0.00 C ATOM 427 C PRO A 34 -8.820 -19.385 -14.441 1.00 0.00 C ATOM 428 O PRO A 34 -9.081 -18.194 -14.614 1.00 0.00 O ATOM 429 CB PRO A 34 -7.565 -20.766 -16.146 1.00 0.00 C ATOM 430 CG PRO A 34 -6.558 -21.851 -15.973 1.00 0.00 C ATOM 431 CD PRO A 34 -6.657 -22.227 -14.519 1.00 0.00 C ATOM 0 HA PRO A 34 -6.814 -19.087 -14.941 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.567 -21.171 -16.288 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.343 -20.152 -17.019 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.776 -22.702 -16.619 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.555 -21.507 -16.227 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.426 -22.979 -14.345 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.720 -22.635 -14.140 1.00 0.00 H new ATOM 439 N HIS A 35 -9.678 -20.243 -13.899 1.00 0.00 N ATOM 440 CA HIS A 35 -10.984 -19.816 -13.411 1.00 0.00 C ATOM 441 C HIS A 35 -10.853 -18.990 -12.138 1.00 0.00 C ATOM 442 O HIS A 35 -11.294 -17.842 -12.083 1.00 0.00 O ATOM 443 CB HIS A 35 -11.887 -21.026 -13.152 1.00 0.00 C ATOM 444 CG HIS A 35 -13.226 -20.667 -12.587 1.00 0.00 C ATOM 445 ND1 HIS A 35 -14.213 -20.064 -13.339 1.00 0.00 N ATOM 446 CD2 HIS A 35 -13.741 -20.824 -11.345 1.00 0.00 C ATOM 447 CE1 HIS A 35 -15.279 -19.867 -12.582 1.00 0.00 C ATOM 448 NE2 HIS A 35 -15.018 -20.319 -11.369 1.00 0.00 N ATOM 0 H HIS A 35 -9.492 -21.240 -13.787 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.436 -19.193 -14.183 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.030 -21.568 -14.087 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -11.382 -21.704 -12.464 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -13.241 -21.264 -10.495 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -16.206 -19.414 -12.901 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.661 -20.297 -10.578 1.00 0.00 H new ATOM 455 N GLU A 36 -10.244 -19.581 -11.115 1.00 0.00 N ATOM 456 CA GLU A 36 -10.026 -18.889 -9.850 1.00 0.00 C ATOM 457 C GLU A 36 -8.778 -18.018 -9.907 1.00 0.00 C ATOM 458 O GLU A 36 -7.820 -18.240 -9.167 1.00 0.00 O ATOM 459 CB GLU A 36 -9.904 -19.898 -8.706 1.00 0.00 C ATOM 460 CG GLU A 36 -11.146 -20.749 -8.482 1.00 0.00 C ATOM 461 CD GLU A 36 -10.951 -21.802 -7.427 1.00 0.00 C ATOM 462 OE1 GLU A 36 -9.862 -21.910 -6.916 1.00 0.00 O ATOM 463 OE2 GLU A 36 -11.893 -22.499 -7.131 1.00 0.00 O1- ATOM 0 H GLU A 36 -9.893 -20.538 -11.138 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.886 -18.244 -9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.059 -20.556 -8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.677 -19.360 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.976 -20.103 -8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.426 -21.229 -9.420 1.00 0.00 H new ATOM 470 N ARG A 37 -8.796 -17.025 -10.790 1.00 0.00 N ATOM 471 CA ARG A 37 -7.645 -16.151 -10.984 1.00 0.00 C ATOM 472 C ARG A 37 -7.342 -15.351 -9.724 1.00 0.00 C ATOM 473 O ARG A 37 -8.097 -14.454 -9.350 1.00 0.00 O ATOM 474 CB ARG A 37 -7.888 -15.195 -12.142 1.00 0.00 C ATOM 475 CG ARG A 37 -6.671 -14.391 -12.574 1.00 0.00 C ATOM 476 CD ARG A 37 -7.010 -13.412 -13.638 1.00 0.00 C ATOM 477 NE ARG A 37 -7.960 -12.414 -13.175 1.00 0.00 N ATOM 478 CZ ARG A 37 -8.648 -11.581 -13.980 1.00 0.00 C ATOM 479 NH1 ARG A 37 -8.481 -11.638 -15.282 1.00 0.00 N1+ ATOM 480 NH2 ARG A 37 -9.492 -10.706 -13.460 1.00 0.00 N ATOM 0 H ARG A 37 -9.596 -16.805 -11.383 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.788 -16.785 -11.212 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.250 -15.767 -12.997 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.682 -14.503 -11.862 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.258 -13.865 -11.713 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.897 -15.068 -12.935 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.101 -12.917 -13.979 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.427 -13.939 -14.496 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.117 -12.339 -12.170 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.830 -12.313 -15.684 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.002 -11.007 -15.891 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.622 -10.662 -12.449 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.013 -10.075 -14.070 1.00 0.00 H new ATOM 494 N LEU A 38 -6.231 -15.681 -9.072 1.00 0.00 N ATOM 495 CA LEU A 38 -5.779 -14.936 -7.904 1.00 0.00 C ATOM 496 C LEU A 38 -4.575 -14.064 -8.238 1.00 0.00 C ATOM 497 O LEU A 38 -3.988 -14.186 -9.314 1.00 0.00 O ATOM 498 CB LEU A 38 -5.419 -15.901 -6.767 1.00 0.00 C ATOM 499 CG LEU A 38 -6.524 -16.880 -6.351 1.00 0.00 C ATOM 500 CD1 LEU A 38 -5.994 -17.817 -5.275 1.00 0.00 C ATOM 501 CD2 LEU A 38 -7.731 -16.100 -5.850 1.00 0.00 C ATOM 0 H LEU A 38 -5.627 -16.460 -9.334 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.595 -14.288 -7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.543 -16.476 -7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.131 -15.314 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.833 -17.479 -7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.779 -18.513 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.143 -18.375 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.680 -17.235 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.516 -16.795 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.442 -15.493 -4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.101 -15.452 -6.644 1.00 0.00 H new ATOM 513 N PHE A 39 -4.212 -13.185 -7.311 1.00 0.00 N ATOM 514 CA PHE A 39 -3.008 -12.375 -7.454 1.00 0.00 C ATOM 515 C PHE A 39 -2.207 -12.346 -6.158 1.00 0.00 C ATOM 516 O PHE A 39 -2.772 -12.404 -5.066 1.00 0.00 O ATOM 517 CB PHE A 39 -3.371 -10.947 -7.866 1.00 0.00 C ATOM 518 CG PHE A 39 -4.085 -10.860 -9.184 1.00 0.00 C ATOM 519 CD1 PHE A 39 -5.469 -10.784 -9.236 1.00 0.00 C ATOM 520 CD2 PHE A 39 -3.375 -10.854 -10.376 1.00 0.00 C ATOM 521 CE1 PHE A 39 -6.127 -10.703 -10.449 1.00 0.00 C ATOM 522 CE2 PHE A 39 -4.030 -10.773 -11.589 1.00 0.00 C ATOM 523 CZ PHE A 39 -5.408 -10.698 -11.625 1.00 0.00 C ATOM 0 H PHE A 39 -4.735 -13.015 -6.452 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.393 -12.829 -8.231 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.999 -10.504 -7.093 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.460 -10.351 -7.917 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.039 -10.788 -8.319 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.297 -10.913 -10.355 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.205 -10.644 -10.475 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.464 -10.768 -12.509 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.922 -10.636 -12.573 1.00 0.00 H new ATOM 533 N THR A 40 -0.887 -12.257 -6.287 1.00 0.00 N ATOM 534 CA THR A 40 -0.002 -12.271 -5.129 1.00 0.00 C ATOM 535 C THR A 40 0.995 -11.121 -5.183 1.00 0.00 C ATOM 536 O THR A 40 1.658 -10.910 -6.199 1.00 0.00 O ATOM 537 CB THR A 40 0.756 -13.608 -5.026 1.00 0.00 C ATOM 538 OG1 THR A 40 -0.184 -14.685 -4.914 1.00 0.00 O ATOM 539 CG2 THR A 40 1.671 -13.610 -3.811 1.00 0.00 C ATOM 0 H THR A 40 -0.407 -12.174 -7.183 1.00 0.00 H new ATOM 0 HA THR A 40 -0.627 -12.151 -4.244 1.00 0.00 H new ATOM 0 HB THR A 40 1.361 -13.736 -5.924 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.299 -15.535 -4.850 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.198 -14.562 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.394 -12.799 -3.899 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.077 -13.470 -2.908 1.00 0.00 H new ATOM 547 N ILE A 41 1.096 -10.380 -4.086 1.00 0.00 N ATOM 548 CA ILE A 41 2.057 -9.288 -3.984 1.00 0.00 C ATOM 549 C ILE A 41 3.157 -9.613 -2.982 1.00 0.00 C ATOM 550 O ILE A 41 2.881 -9.959 -1.833 1.00 0.00 O ATOM 551 CB ILE A 41 1.360 -7.978 -3.575 1.00 0.00 C ATOM 552 CG1 ILE A 41 0.264 -7.619 -4.582 1.00 0.00 C ATOM 553 CG2 ILE A 41 2.372 -6.849 -3.460 1.00 0.00 C ATOM 554 CD1 ILE A 41 0.784 -7.331 -5.972 1.00 0.00 C ATOM 0 H ILE A 41 0.523 -10.516 -3.253 1.00 0.00 H new ATOM 0 HA ILE A 41 2.506 -9.160 -4.969 1.00 0.00 H new ATOM 0 HB ILE A 41 0.897 -8.123 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.451 -8.440 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.278 -6.746 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.861 -5.931 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.117 -7.103 -2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.864 -6.702 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.050 -7.085 -6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.477 -6.490 -5.934 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.301 -8.210 -6.356 1.00 0.00 H new ATOM 566 N ALA A 42 4.405 -9.501 -3.423 1.00 0.00 N ATOM 567 CA ALA A 42 5.550 -9.702 -2.543 1.00 0.00 C ATOM 568 C ALA A 42 6.200 -8.375 -2.173 1.00 0.00 C ATOM 569 O ALA A 42 6.459 -7.537 -3.037 1.00 0.00 O ATOM 570 CB ALA A 42 6.568 -10.624 -3.199 1.00 0.00 C ATOM 0 H ALA A 42 4.650 -9.272 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 42 5.191 -10.169 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.417 -10.764 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.105 -11.589 -3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.912 -10.180 -4.133 1.00 0.00 H new ATOM 576 N CYS A 43 6.461 -8.189 -0.883 1.00 0.00 N ATOM 577 CA CYS A 43 7.037 -6.944 -0.390 1.00 0.00 C ATOM 578 C CYS A 43 8.341 -7.197 0.355 1.00 0.00 C ATOM 579 O CYS A 43 8.447 -8.143 1.136 1.00 0.00 O ATOM 580 CB CYS A 43 6.056 -6.228 0.539 1.00 0.00 C ATOM 581 SG CYS A 43 6.662 -4.648 1.178 1.00 0.00 S ATOM 0 H CYS A 43 6.282 -8.886 -0.160 1.00 0.00 H new ATOM 0 HA CYS A 43 7.243 -6.314 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 43 5.123 -6.057 0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.824 -6.883 1.379 1.00 0.00 H new ATOM 0 HG CYS A 43 6.324 -3.692 0.364 1.00 0.00 H new ATOM 587 N SER A 44 9.332 -6.347 0.109 1.00 0.00 N ATOM 588 CA SER A 44 10.586 -6.397 0.851 1.00 0.00 C ATOM 589 C SER A 44 11.020 -5.006 1.294 1.00 0.00 C ATOM 590 O SER A 44 11.257 -4.126 0.466 1.00 0.00 O ATOM 591 CB SER A 44 11.672 -7.028 0.000 1.00 0.00 C ATOM 592 OG SER A 44 12.900 -7.031 0.675 1.00 0.00 O ATOM 0 H SER A 44 9.291 -5.614 -0.599 1.00 0.00 H new ATOM 0 HA SER A 44 10.425 -7.005 1.741 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.391 -8.050 -0.256 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.769 -6.480 -0.937 1.00 0.00 H new ATOM 0 HG SER A 44 13.584 -7.444 0.108 1.00 0.00 H new ATOM 598 N ILE A 45 11.123 -4.812 2.604 1.00 0.00 N ATOM 599 CA ILE A 45 11.506 -3.520 3.160 1.00 0.00 C ATOM 600 C ILE A 45 12.526 -3.683 4.280 1.00 0.00 C ATOM 601 O ILE A 45 12.323 -4.465 5.209 1.00 0.00 O ATOM 602 CB ILE A 45 10.275 -2.764 3.693 1.00 0.00 C ATOM 603 CG1 ILE A 45 9.277 -2.504 2.561 1.00 0.00 C ATOM 604 CG2 ILE A 45 10.696 -1.457 4.347 1.00 0.00 C ATOM 605 CD1 ILE A 45 8.011 -1.812 3.011 1.00 0.00 C ATOM 0 H ILE A 45 10.946 -5.535 3.302 1.00 0.00 H new ATOM 0 HA ILE A 45 11.958 -2.942 2.354 1.00 0.00 H new ATOM 0 HB ILE A 45 9.787 -3.383 4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.760 -1.896 1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.015 -3.454 2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.814 -0.935 4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.370 -1.666 5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.206 -0.831 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.354 -1.662 2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.504 -2.428 3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.261 -0.846 3.450 1.00 0.00 H new ATOM 617 N LEU A 46 13.624 -2.941 4.186 1.00 0.00 N ATOM 618 CA LEU A 46 14.714 -3.060 5.147 1.00 0.00 C ATOM 619 C LEU A 46 15.241 -4.487 5.209 1.00 0.00 C ATOM 620 O LEU A 46 15.794 -4.998 4.235 1.00 0.00 O ATOM 621 CB LEU A 46 14.243 -2.621 6.539 1.00 0.00 C ATOM 622 CG LEU A 46 13.830 -1.149 6.669 1.00 0.00 C ATOM 623 CD1 LEU A 46 13.243 -0.906 8.053 1.00 0.00 C ATOM 624 CD2 LEU A 46 15.039 -0.259 6.423 1.00 0.00 C ATOM 0 H LEU A 46 13.783 -2.250 3.453 1.00 0.00 H new ATOM 0 HA LEU A 46 15.524 -2.409 4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.397 -3.244 6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.043 -2.819 7.252 1.00 0.00 H new ATOM 0 HG LEU A 46 13.069 -0.908 5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.950 0.140 8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.369 -1.542 8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.990 -1.142 8.811 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.746 0.787 6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.813 -0.485 7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 46 15.426 -0.440 5.420 1.00 0.00 H new ATOM 636 N ASN A 47 15.065 -5.128 6.360 1.00 0.00 N ATOM 637 CA ASN A 47 15.496 -6.509 6.541 1.00 0.00 C ATOM 638 C ASN A 47 14.302 -7.449 6.648 1.00 0.00 C ATOM 639 O ASN A 47 14.421 -8.564 7.156 1.00 0.00 O ATOM 640 CB ASN A 47 16.386 -6.635 7.764 1.00 0.00 C ATOM 641 CG ASN A 47 17.710 -5.945 7.589 1.00 0.00 C ATOM 642 OD1 ASN A 47 18.225 -5.839 6.470 1.00 0.00 O ATOM 643 ND2 ASN A 47 18.271 -5.474 8.673 1.00 0.00 N ATOM 0 H ASN A 47 14.626 -4.712 7.182 1.00 0.00 H new ATOM 0 HA ASN A 47 16.072 -6.798 5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.872 -6.213 8.628 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.556 -7.690 7.978 1.00 0.00 H new ATOM 0 HD21 ASN A 47 19.170 -4.996 8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.809 -5.585 9.576 1.00 0.00 H new ATOM 650 N TYR A 48 13.152 -6.993 6.164 1.00 0.00 N ATOM 651 CA TYR A 48 11.916 -7.759 6.277 1.00 0.00 C ATOM 652 C TYR A 48 11.410 -8.193 4.908 1.00 0.00 C ATOM 653 O TYR A 48 11.553 -7.467 3.924 1.00 0.00 O ATOM 654 CB TYR A 48 10.845 -6.943 7.004 1.00 0.00 C ATOM 655 CG TYR A 48 11.225 -6.558 8.417 1.00 0.00 C ATOM 656 CD1 TYR A 48 11.854 -5.346 8.661 1.00 0.00 C ATOM 657 CD2 TYR A 48 10.944 -7.418 9.469 1.00 0.00 C ATOM 658 CE1 TYR A 48 12.200 -4.996 9.952 1.00 0.00 C ATOM 659 CE2 TYR A 48 11.290 -7.067 10.759 1.00 0.00 C ATOM 660 CZ TYR A 48 11.916 -5.862 11.002 1.00 0.00 C ATOM 661 OH TYR A 48 12.261 -5.512 12.287 1.00 0.00 O ATOM 0 H TYR A 48 13.050 -6.096 5.689 1.00 0.00 H new ATOM 0 HA TYR A 48 12.130 -8.656 6.858 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.642 -6.037 6.433 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.919 -7.518 7.030 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.073 -4.676 7.842 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.455 -8.362 9.279 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.689 -4.053 10.145 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.070 -7.736 11.578 1.00 0.00 H new ATOM 0 HH TYR A 48 11.473 -5.576 12.866 1.00 0.00 H new ATOM 671 N ARG A 49 10.818 -9.381 4.851 1.00 0.00 N ATOM 672 CA ARG A 49 10.211 -9.877 3.621 1.00 0.00 C ATOM 673 C ARG A 49 8.898 -10.594 3.906 1.00 0.00 C ATOM 674 O ARG A 49 8.860 -11.560 4.668 1.00 0.00 O ATOM 675 CB ARG A 49 11.158 -10.825 2.901 1.00 0.00 C ATOM 676 CG ARG A 49 10.639 -11.365 1.578 1.00 0.00 C ATOM 677 CD ARG A 49 11.643 -12.228 0.905 1.00 0.00 C ATOM 678 NE ARG A 49 11.148 -12.753 -0.357 1.00 0.00 N ATOM 679 CZ ARG A 49 10.433 -13.888 -0.487 1.00 0.00 C ATOM 680 NH1 ARG A 49 10.138 -14.603 0.576 1.00 0.00 N1+ ATOM 681 NH2 ARG A 49 10.028 -14.281 -1.681 1.00 0.00 N ATOM 0 H ARG A 49 10.745 -10.019 5.643 1.00 0.00 H new ATOM 0 HA ARG A 49 10.009 -9.016 2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 49 12.100 -10.307 2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.377 -11.666 3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.726 -11.935 1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.376 -10.534 0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.553 -11.655 0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.910 -13.055 1.563 1.00 0.00 H new ATOM 0 HE ARG A 49 11.357 -12.225 -1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.450 -14.299 1.498 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.597 -15.462 0.479 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.256 -13.725 -2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.487 -15.140 -1.779 1.00 0.00 H new ATOM 695 N GLU A 50 7.823 -10.117 3.288 1.00 0.00 N ATOM 696 CA GLU A 50 6.486 -10.622 3.576 1.00 0.00 C ATOM 697 C GLU A 50 5.598 -10.568 2.340 1.00 0.00 C ATOM 698 O GLU A 50 5.756 -9.693 1.488 1.00 0.00 O ATOM 699 CB GLU A 50 5.845 -9.820 4.711 1.00 0.00 C ATOM 700 CG GLU A 50 4.569 -10.431 5.272 1.00 0.00 C ATOM 701 CD GLU A 50 4.713 -11.893 5.592 1.00 0.00 C ATOM 702 OE1 GLU A 50 5.330 -12.207 6.581 1.00 0.00 O ATOM 703 OE2 GLU A 50 4.205 -12.697 4.846 1.00 0.00 O1- ATOM 0 H GLU A 50 7.852 -9.380 2.583 1.00 0.00 H new ATOM 0 HA GLU A 50 6.584 -11.663 3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.569 -9.716 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.624 -8.816 4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.281 -9.893 6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.762 -10.300 4.552 1.00 0.00 H new ATOM 710 N MET A 51 4.664 -11.509 2.247 1.00 0.00 N ATOM 711 CA MET A 51 3.839 -11.654 1.053 1.00 0.00 C ATOM 712 C MET A 51 2.358 -11.678 1.407 1.00 0.00 C ATOM 713 O MET A 51 1.982 -12.043 2.521 1.00 0.00 O ATOM 714 CB MET A 51 4.227 -12.922 0.295 1.00 0.00 C ATOM 715 CG MET A 51 5.662 -12.938 -0.212 1.00 0.00 C ATOM 716 SD MET A 51 6.098 -14.493 -1.016 1.00 0.00 S ATOM 717 CE MET A 51 5.118 -14.387 -2.511 1.00 0.00 C ATOM 0 H MET A 51 4.459 -12.183 2.985 1.00 0.00 H new ATOM 0 HA MET A 51 4.016 -10.791 0.411 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.076 -13.782 0.948 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.554 -13.044 -0.553 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.804 -12.118 -0.915 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.340 -12.763 0.623 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.341 -15.152 -2.492 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.656 -13.402 -2.574 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.759 -14.543 -3.378 1.00 0.00 H new ATOM 727 N GLY A 52 1.520 -11.287 0.453 1.00 0.00 N ATOM 728 CA GLY A 52 0.076 -11.419 0.600 1.00 0.00 C ATOM 729 C GLY A 52 -0.590 -11.709 -0.739 1.00 0.00 C ATOM 730 O GLY A 52 -0.015 -11.456 -1.797 1.00 0.00 O ATOM 0 H GLY A 52 1.817 -10.875 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.149 -12.222 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.335 -10.502 1.022 1.00 0.00 H new ATOM 734 N LYS A 53 -1.806 -12.243 -0.685 1.00 0.00 N ATOM 735 CA LYS A 53 -2.514 -12.657 -1.891 1.00 0.00 C ATOM 736 C LYS A 53 -4.022 -12.524 -1.717 1.00 0.00 C ATOM 737 O LYS A 53 -4.526 -12.481 -0.595 1.00 0.00 O ATOM 738 CB LYS A 53 -2.152 -14.098 -2.256 1.00 0.00 C ATOM 739 CG LYS A 53 -2.583 -15.135 -1.228 1.00 0.00 C ATOM 740 CD LYS A 53 -2.160 -16.535 -1.644 1.00 0.00 C ATOM 741 CE LYS A 53 -2.599 -17.574 -0.623 1.00 0.00 C ATOM 742 NZ LYS A 53 -2.233 -18.955 -1.041 1.00 0.00 N1+ ATOM 0 H LYS A 53 -2.322 -12.399 0.181 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.205 -11.998 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.609 -14.343 -3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.073 -14.165 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.145 -14.893 -0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.666 -15.101 -1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.591 -16.773 -2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.077 -16.570 -1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.139 -17.353 0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.678 -17.511 -0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.550 -19.632 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.692 -19.176 -1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.201 -19.023 -1.150 1.00 0.00 H new ATOM 756 N GLY A 54 -4.738 -12.460 -2.835 1.00 0.00 N ATOM 757 CA GLY A 54 -6.189 -12.324 -2.808 1.00 0.00 C ATOM 758 C GLY A 54 -6.790 -12.562 -4.187 1.00 0.00 C ATOM 759 O GLY A 54 -6.097 -12.988 -5.112 1.00 0.00 O ATOM 0 H GLY A 54 -4.336 -12.500 -3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.610 -13.035 -2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.457 -11.327 -2.459 1.00 0.00 H new ATOM 763 N LYS A 55 -8.083 -12.285 -4.320 1.00 0.00 N ATOM 764 CA LYS A 55 -8.785 -12.493 -5.580 1.00 0.00 C ATOM 765 C LYS A 55 -8.523 -11.350 -6.552 1.00 0.00 C ATOM 766 O LYS A 55 -8.706 -11.496 -7.761 1.00 0.00 O ATOM 767 CB LYS A 55 -10.288 -12.642 -5.338 1.00 0.00 C ATOM 768 CG LYS A 55 -10.682 -13.911 -4.592 1.00 0.00 C ATOM 769 CD LYS A 55 -12.190 -13.998 -4.408 1.00 0.00 C ATOM 770 CE LYS A 55 -12.589 -15.291 -3.713 1.00 0.00 C ATOM 771 NZ LYS A 55 -14.066 -15.420 -3.585 1.00 0.00 N1+ ATOM 0 H LYS A 55 -8.666 -11.915 -3.569 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.405 -13.413 -6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.640 -11.779 -4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.802 -12.625 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.330 -14.783 -5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.193 -13.930 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.537 -13.146 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.681 -13.938 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.198 -16.140 -4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.134 -15.326 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.296 -16.314 -3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.437 -14.624 -3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.498 -15.412 -4.531 1.00 0.00 H new ATOM 785 N SER A 56 -8.092 -10.213 -6.018 1.00 0.00 N ATOM 786 CA SER A 56 -7.770 -9.053 -6.841 1.00 0.00 C ATOM 787 C SER A 56 -6.395 -8.496 -6.493 1.00 0.00 C ATOM 788 O SER A 56 -5.875 -8.736 -5.404 1.00 0.00 O ATOM 789 CB SER A 56 -8.822 -7.976 -6.660 1.00 0.00 C ATOM 790 OG SER A 56 -10.084 -8.436 -7.059 1.00 0.00 O ATOM 0 H SER A 56 -7.957 -10.069 -5.017 1.00 0.00 H new ATOM 0 HA SER A 56 -7.756 -9.373 -7.883 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.857 -7.668 -5.615 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.551 -7.096 -7.243 1.00 0.00 H new ATOM 0 HG SER A 56 -10.747 -7.725 -6.932 1.00 0.00 H new ATOM 796 N LYS A 57 -5.812 -7.751 -7.426 1.00 0.00 N ATOM 797 CA LYS A 57 -4.512 -7.127 -7.206 1.00 0.00 C ATOM 798 C LYS A 57 -4.555 -6.166 -6.025 1.00 0.00 C ATOM 799 O LYS A 57 -3.643 -6.141 -5.199 1.00 0.00 O ATOM 800 CB LYS A 57 -4.050 -6.393 -8.466 1.00 0.00 C ATOM 801 CG LYS A 57 -3.669 -7.307 -9.622 1.00 0.00 C ATOM 802 CD LYS A 57 -3.211 -6.506 -10.832 1.00 0.00 C ATOM 803 CE LYS A 57 -2.875 -7.416 -12.005 1.00 0.00 C ATOM 804 NZ LYS A 57 -2.448 -6.645 -13.203 1.00 0.00 N1+ ATOM 0 H LYS A 57 -6.219 -7.564 -8.342 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.798 -7.917 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.846 -5.724 -8.795 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.193 -5.769 -8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.873 -7.982 -9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.523 -7.927 -9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.994 -5.806 -11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.336 -5.913 -10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.081 -8.104 -11.714 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.746 -8.022 -12.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.229 -7.302 -13.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.215 -6.007 -13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.602 -6.086 -12.973 1.00 0.00 H new ATOM 818 N LYS A 58 -5.620 -5.375 -5.952 1.00 0.00 N ATOM 819 CA LYS A 58 -5.781 -4.405 -4.875 1.00 0.00 C ATOM 820 C LYS A 58 -5.862 -5.096 -3.519 1.00 0.00 C ATOM 821 O LYS A 58 -5.291 -4.624 -2.536 1.00 0.00 O ATOM 822 CB LYS A 58 -7.029 -3.551 -5.105 1.00 0.00 C ATOM 823 CG LYS A 58 -6.917 -2.575 -6.268 1.00 0.00 C ATOM 824 CD LYS A 58 -8.192 -1.760 -6.430 1.00 0.00 C ATOM 825 CE LYS A 58 -8.090 -0.800 -7.606 1.00 0.00 C ATOM 826 NZ LYS A 58 -9.341 -0.015 -7.794 1.00 0.00 N1+ ATOM 0 H LYS A 58 -6.385 -5.387 -6.626 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.904 -3.757 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.879 -4.211 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.244 -2.990 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.073 -1.905 -6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.714 -3.124 -7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.038 -2.431 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.386 -1.199 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.255 -0.118 -7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.874 -1.361 -8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.230 0.627 -8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.134 -0.664 -7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.534 0.541 -6.937 1.00 0.00 H new ATOM 840 N ILE A 59 -6.575 -6.216 -3.473 1.00 0.00 N ATOM 841 CA ILE A 59 -6.692 -7.001 -2.250 1.00 0.00 C ATOM 842 C ILE A 59 -5.334 -7.527 -1.801 1.00 0.00 C ATOM 843 O ILE A 59 -4.956 -7.385 -0.638 1.00 0.00 O ATOM 844 CB ILE A 59 -7.661 -8.181 -2.444 1.00 0.00 C ATOM 845 CG1 ILE A 59 -9.090 -7.670 -2.650 1.00 0.00 C ATOM 846 CG2 ILE A 59 -7.597 -9.124 -1.253 1.00 0.00 C ATOM 847 CD1 ILE A 59 -10.060 -8.736 -3.105 1.00 0.00 C ATOM 0 H ILE A 59 -7.081 -6.601 -4.270 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.086 -6.340 -1.478 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.361 -8.733 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.450 -7.239 -1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -9.076 -6.867 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.288 -9.952 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.584 -9.512 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.873 -8.585 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -11.050 -8.298 -3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.725 -9.151 -4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -10.105 -9.529 -2.359 1.00 0.00 H new ATOM 859 N ALA A 60 -4.604 -8.134 -2.730 1.00 0.00 N ATOM 860 CA ALA A 60 -3.283 -8.674 -2.434 1.00 0.00 C ATOM 861 C ALA A 60 -2.332 -7.580 -1.968 1.00 0.00 C ATOM 862 O ALA A 60 -1.540 -7.783 -1.048 1.00 0.00 O ATOM 863 CB ALA A 60 -2.715 -9.383 -3.655 1.00 0.00 C ATOM 0 H ALA A 60 -4.906 -8.264 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.389 -9.396 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.728 -9.781 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.377 -10.200 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.633 -8.676 -4.481 1.00 0.00 H new ATOM 869 N LYS A 61 -2.416 -6.418 -2.607 1.00 0.00 N ATOM 870 CA LYS A 61 -1.582 -5.280 -2.240 1.00 0.00 C ATOM 871 C LYS A 61 -1.864 -4.827 -0.813 1.00 0.00 C ATOM 872 O LYS A 61 -0.943 -4.633 -0.020 1.00 0.00 O ATOM 873 CB LYS A 61 -1.802 -4.120 -3.213 1.00 0.00 C ATOM 874 CG LYS A 61 -1.171 -4.321 -4.584 1.00 0.00 C ATOM 875 CD LYS A 61 -1.468 -3.148 -5.507 1.00 0.00 C ATOM 876 CE LYS A 61 -0.870 -3.364 -6.889 1.00 0.00 C ATOM 877 NZ LYS A 61 -1.159 -2.227 -7.804 1.00 0.00 N1+ ATOM 0 H LYS A 61 -3.054 -6.240 -3.383 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.541 -5.598 -2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.874 -3.966 -3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.398 -3.209 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.093 -4.438 -4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.549 -5.241 -5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.546 -3.014 -5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.066 -2.232 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.209 -3.494 -6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.268 -4.284 -7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.734 -2.414 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.188 -2.118 -7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.757 -1.353 -7.409 1.00 0.00 H new ATOM 891 N ARG A 62 -3.143 -4.661 -0.492 1.00 0.00 N ATOM 892 CA ARG A 62 -3.547 -4.203 0.831 1.00 0.00 C ATOM 893 C ARG A 62 -3.099 -5.178 1.913 1.00 0.00 C ATOM 894 O ARG A 62 -2.595 -4.770 2.959 1.00 0.00 O ATOM 895 CB ARG A 62 -5.058 -4.034 0.901 1.00 0.00 C ATOM 896 CG ARG A 62 -5.602 -2.834 0.142 1.00 0.00 C ATOM 897 CD ARG A 62 -7.088 -2.814 0.138 1.00 0.00 C ATOM 898 NE ARG A 62 -7.613 -1.686 -0.613 1.00 0.00 N ATOM 899 CZ ARG A 62 -8.922 -1.464 -0.845 1.00 0.00 C ATOM 900 NH1 ARG A 62 -9.823 -2.301 -0.380 1.00 0.00 N1+ ATOM 901 NH2 ARG A 62 -9.299 -0.406 -1.541 1.00 0.00 N ATOM 0 H ARG A 62 -3.918 -4.837 -1.131 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.066 -3.240 1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.529 -4.936 0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.352 -3.948 1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.227 -1.916 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.236 -2.856 -0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.462 -3.743 -0.293 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.453 -2.769 1.164 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.944 -1.015 -0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.531 -3.118 0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.814 -2.133 -0.555 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.599 0.242 -1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.290 -0.238 -1.717 1.00 0.00 H new ATOM 915 N LEU A 63 -3.284 -6.467 1.654 1.00 0.00 N ATOM 916 CA LEU A 63 -2.920 -7.502 2.614 1.00 0.00 C ATOM 917 C LEU A 63 -1.411 -7.558 2.818 1.00 0.00 C ATOM 918 O LEU A 63 -0.929 -7.599 3.950 1.00 0.00 O ATOM 919 CB LEU A 63 -3.430 -8.869 2.140 1.00 0.00 C ATOM 920 CG LEU A 63 -4.951 -9.061 2.179 1.00 0.00 C ATOM 921 CD1 LEU A 63 -5.317 -10.362 1.477 1.00 0.00 C ATOM 922 CD2 LEU A 63 -5.426 -9.068 3.625 1.00 0.00 C ATOM 0 H LEU A 63 -3.685 -6.821 0.785 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.387 -7.253 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.088 -9.029 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.969 -9.642 2.755 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.443 -8.239 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.398 -10.499 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.983 -10.323 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.833 -11.197 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.507 -9.204 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.944 -9.884 4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.168 -8.120 4.097 1.00 0.00 H new ATOM 934 N ALA A 64 -0.671 -7.561 1.715 1.00 0.00 N ATOM 935 CA ALA A 64 0.786 -7.594 1.770 1.00 0.00 C ATOM 936 C ALA A 64 1.336 -6.385 2.516 1.00 0.00 C ATOM 937 O ALA A 64 2.252 -6.510 3.329 1.00 0.00 O ATOM 938 CB ALA A 64 1.368 -7.660 0.366 1.00 0.00 C ATOM 0 H ALA A 64 -1.056 -7.541 0.771 1.00 0.00 H new ATOM 0 HA ALA A 64 1.082 -8.490 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.456 -7.684 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.011 -8.561 -0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.054 -6.783 -0.200 1.00 0.00 H new ATOM 944 N ALA A 65 0.773 -5.216 2.234 1.00 0.00 N ATOM 945 CA ALA A 65 1.214 -3.980 2.869 1.00 0.00 C ATOM 946 C ALA A 65 0.977 -4.018 4.373 1.00 0.00 C ATOM 947 O ALA A 65 1.858 -3.670 5.159 1.00 0.00 O ATOM 948 CB ALA A 65 0.503 -2.784 2.251 1.00 0.00 C ATOM 0 H ALA A 65 0.009 -5.098 1.569 1.00 0.00 H new ATOM 0 HA ALA A 65 2.286 -3.879 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.843 -1.869 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.730 -2.736 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.573 -2.889 2.389 1.00 0.00 H new ATOM 954 N HIS A 66 -0.218 -4.443 4.768 1.00 0.00 N ATOM 955 CA HIS A 66 -0.571 -4.536 6.179 1.00 0.00 C ATOM 956 C HIS A 66 0.334 -5.521 6.909 1.00 0.00 C ATOM 957 O HIS A 66 0.806 -5.246 8.011 1.00 0.00 O ATOM 958 CB HIS A 66 -2.034 -4.958 6.346 1.00 0.00 C ATOM 959 CG HIS A 66 -2.447 -5.148 7.772 1.00 0.00 C ATOM 960 ND1 HIS A 66 -2.585 -4.095 8.652 1.00 0.00 N ATOM 961 CD2 HIS A 66 -2.751 -6.266 8.471 1.00 0.00 C ATOM 962 CE1 HIS A 66 -2.958 -4.559 9.833 1.00 0.00 C ATOM 963 NE2 HIS A 66 -3.065 -5.872 9.749 1.00 0.00 N ATOM 0 H HIS A 66 -0.960 -4.729 4.129 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.434 -3.547 6.617 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.675 -4.204 5.889 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.199 -5.888 5.802 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.747 -7.278 8.095 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.143 -3.965 10.716 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.337 -6.494 10.510 1.00 0.00 H new ATOM 970 N ARG A 67 0.572 -6.671 6.286 1.00 0.00 N ATOM 971 CA ARG A 67 1.408 -7.706 6.882 1.00 0.00 C ATOM 972 C ARG A 67 2.838 -7.218 7.070 1.00 0.00 C ATOM 973 O ARG A 67 3.442 -7.426 8.123 1.00 0.00 O ATOM 974 CB ARG A 67 1.412 -8.956 6.015 1.00 0.00 C ATOM 975 CG ARG A 67 0.131 -9.774 6.067 1.00 0.00 C ATOM 976 CD ARG A 67 0.184 -10.935 5.142 1.00 0.00 C ATOM 977 NE ARG A 67 -0.982 -11.794 5.282 1.00 0.00 N ATOM 978 CZ ARG A 67 -1.200 -12.911 4.561 1.00 0.00 C ATOM 979 NH1 ARG A 67 -0.326 -13.291 3.657 1.00 0.00 N1+ ATOM 980 NH2 ARG A 67 -2.294 -13.625 4.764 1.00 0.00 N ATOM 0 H ARG A 67 0.197 -6.909 5.368 1.00 0.00 H new ATOM 0 HA ARG A 67 0.987 -7.944 7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.598 -8.663 4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.244 -9.590 6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.035 -10.127 7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.717 -9.140 5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.250 -10.578 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.087 -11.514 5.337 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.684 -11.532 5.975 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.518 -12.740 3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.492 -14.137 3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.972 -13.330 5.466 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.460 -14.471 4.218 1.00 0.00 H new ATOM 994 N MET A 68 3.376 -6.568 6.044 1.00 0.00 N ATOM 995 CA MET A 68 4.707 -5.977 6.124 1.00 0.00 C ATOM 996 C MET A 68 4.770 -4.904 7.202 1.00 0.00 C ATOM 997 O MET A 68 5.739 -4.825 7.958 1.00 0.00 O ATOM 998 CB MET A 68 5.108 -5.396 4.769 1.00 0.00 C ATOM 999 CG MET A 68 6.455 -4.686 4.763 1.00 0.00 C ATOM 1000 SD MET A 68 7.804 -5.749 5.313 1.00 0.00 S ATOM 1001 CE MET A 68 8.063 -6.750 3.851 1.00 0.00 C ATOM 0 H MET A 68 2.910 -6.437 5.146 1.00 0.00 H new ATOM 0 HA MET A 68 5.411 -6.764 6.394 1.00 0.00 H new ATOM 0 HB2 MET A 68 5.132 -6.201 4.035 1.00 0.00 H new ATOM 0 HB3 MET A 68 4.339 -4.694 4.447 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.668 -4.328 3.756 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.402 -3.809 5.409 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.527 -7.695 4.134 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.105 -6.946 3.370 1.00 0.00 H new ATOM 0 HE3 MET A 68 8.715 -6.219 3.157 1.00 0.00 H new ATOM 1011 N TRP A 69 3.730 -4.079 7.270 1.00 0.00 N ATOM 1012 CA TRP A 69 3.639 -3.044 8.293 1.00 0.00 C ATOM 1013 C TRP A 69 3.795 -3.634 9.689 1.00 0.00 C ATOM 1014 O TRP A 69 4.543 -3.110 10.514 1.00 0.00 O ATOM 1015 CB TRP A 69 2.300 -2.311 8.192 1.00 0.00 C ATOM 1016 CG TRP A 69 2.131 -1.230 9.216 1.00 0.00 C ATOM 1017 CD1 TRP A 69 2.583 0.053 9.129 1.00 0.00 C ATOM 1018 CD2 TRP A 69 1.457 -1.331 10.494 1.00 0.00 C ATOM 1019 NE1 TRP A 69 2.240 0.753 10.259 1.00 0.00 N ATOM 1020 CE2 TRP A 69 1.549 -0.078 11.104 1.00 0.00 C ATOM 1021 CE3 TRP A 69 0.792 -2.370 11.157 1.00 0.00 C ATOM 1022 CZ2 TRP A 69 1.003 0.171 12.353 1.00 0.00 C ATOM 1023 CZ3 TRP A 69 0.243 -2.119 12.409 1.00 0.00 C ATOM 1024 CH2 TRP A 69 0.345 -0.881 12.991 1.00 0.00 C ATOM 0 H TRP A 69 2.938 -4.107 6.628 1.00 0.00 H new ATOM 0 HA TRP A 69 4.451 -2.337 8.123 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.207 -1.876 7.197 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.491 -3.033 8.301 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.131 0.460 8.292 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.463 1.732 10.441 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.707 -3.347 10.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.084 1.144 12.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.272 -2.911 12.932 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.094 -0.717 13.964 1.00 0.00 H new ATOM 1035 N MET A 70 3.085 -4.727 9.947 1.00 0.00 N ATOM 1036 CA MET A 70 3.199 -5.433 11.217 1.00 0.00 C ATOM 1037 C MET A 70 4.623 -5.920 11.450 1.00 0.00 C ATOM 1038 O MET A 70 5.155 -5.807 12.555 1.00 0.00 O ATOM 1039 CB MET A 70 2.221 -6.605 11.260 1.00 0.00 C ATOM 1040 CG MET A 70 0.757 -6.200 11.370 1.00 0.00 C ATOM 1041 SD MET A 70 -0.326 -7.597 11.729 1.00 0.00 S ATOM 1042 CE MET A 70 -0.256 -8.487 10.178 1.00 0.00 C ATOM 0 H MET A 70 2.423 -5.144 9.292 1.00 0.00 H new ATOM 0 HA MET A 70 2.949 -4.735 12.016 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.353 -7.205 10.360 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.474 -7.242 12.108 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.649 -5.451 12.155 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.443 -5.732 10.437 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.906 -9.361 10.230 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.588 -7.836 9.369 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.768 -8.807 9.988 1.00 0.00 H new ATOM 1052 N ARG A 71 5.236 -6.464 10.404 1.00 0.00 N ATOM 1053 CA ARG A 71 6.624 -6.906 10.473 1.00 0.00 C ATOM 1054 C ARG A 71 7.553 -5.750 10.819 1.00 0.00 C ATOM 1055 O ARG A 71 8.487 -5.906 11.606 1.00 0.00 O ATOM 1056 CB ARG A 71 7.056 -7.522 9.151 1.00 0.00 C ATOM 1057 CG ARG A 71 6.316 -8.793 8.766 1.00 0.00 C ATOM 1058 CD ARG A 71 6.773 -9.959 9.565 1.00 0.00 C ATOM 1059 NE ARG A 71 6.273 -11.214 9.028 1.00 0.00 N ATOM 1060 CZ ARG A 71 6.304 -12.392 9.681 1.00 0.00 C ATOM 1061 NH1 ARG A 71 6.812 -12.459 10.891 1.00 0.00 N1+ ATOM 1062 NH2 ARG A 71 5.824 -13.480 9.105 1.00 0.00 N ATOM 0 H ARG A 71 4.793 -6.610 9.497 1.00 0.00 H new ATOM 0 HA ARG A 71 6.690 -7.657 11.260 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.917 -6.784 8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.123 -7.740 9.200 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.245 -8.649 8.912 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.469 -8.996 7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.863 -9.981 9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.438 -9.846 10.596 1.00 0.00 H new ATOM 0 HE ARG A 71 5.870 -11.202 8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.183 -11.619 11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.836 -13.351 11.386 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.430 -13.428 8.166 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.848 -14.372 9.600 1.00 0.00 H new ATOM 1076 N LEU A 72 7.293 -4.590 10.227 1.00 0.00 N ATOM 1077 CA LEU A 72 8.134 -3.417 10.434 1.00 0.00 C ATOM 1078 C LEU A 72 7.998 -2.886 11.855 1.00 0.00 C ATOM 1079 O LEU A 72 8.979 -2.464 12.467 1.00 0.00 O ATOM 1080 CB LEU A 72 7.765 -2.316 9.432 1.00 0.00 C ATOM 1081 CG LEU A 72 8.106 -2.610 7.965 1.00 0.00 C ATOM 1082 CD1 LEU A 72 7.422 -1.587 7.070 1.00 0.00 C ATOM 1083 CD2 LEU A 72 9.616 -2.578 7.779 1.00 0.00 C ATOM 0 H LEU A 72 6.505 -4.437 9.598 1.00 0.00 H new ATOM 0 HA LEU A 72 9.170 -3.716 10.277 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.694 -2.127 9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.272 -1.397 9.727 1.00 0.00 H new ATOM 0 HG LEU A 72 7.747 -3.602 7.690 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.664 -1.796 6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.343 -1.645 7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.769 -0.587 7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.859 -2.787 6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.995 -1.592 8.049 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.077 -3.332 8.417 1.00 0.00 H new ATOM 1095 N GLN A 73 6.776 -2.909 12.375 1.00 0.00 N ATOM 1096 CA GLN A 73 6.519 -2.487 13.747 1.00 0.00 C ATOM 1097 C GLN A 73 7.157 -3.443 14.746 1.00 0.00 C ATOM 1098 O GLN A 73 7.703 -3.018 15.765 1.00 0.00 O ATOM 1099 CB GLN A 73 5.012 -2.391 14.005 1.00 0.00 C ATOM 1100 CG GLN A 73 4.322 -1.269 13.247 1.00 0.00 C ATOM 1101 CD GLN A 73 4.855 0.099 13.626 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.046 0.401 14.808 1.00 0.00 O ATOM 1103 NE2 GLN A 73 5.098 0.937 12.625 1.00 0.00 N ATOM 0 H GLN A 73 5.947 -3.216 11.866 1.00 0.00 H new ATOM 0 HA GLN A 73 6.967 -1.502 13.881 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.547 -3.338 13.733 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.846 -2.249 15.073 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.454 -1.423 12.176 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.251 -1.306 13.445 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.926 0.646 11.663 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.457 1.872 12.818 1.00 0.00 H new ATOM 1112 N GLU A 74 7.086 -4.736 14.449 1.00 0.00 N ATOM 1113 CA GLU A 74 7.703 -5.752 15.294 1.00 0.00 C ATOM 1114 C GLU A 74 9.216 -5.585 15.339 1.00 0.00 C ATOM 1115 O GLU A 74 9.675 -5.419 16.212 1.00 0.00 O ATOM 1116 CB GLU A 74 7.349 -7.152 14.789 1.00 0.00 C ATOM 1117 CG GLU A 74 7.871 -8.285 15.661 1.00 0.00 C ATOM 1118 CD GLU A 74 7.455 -9.643 15.168 1.00 0.00 C ATOM 1119 OE1 GLU A 74 6.749 -9.708 14.191 1.00 0.00 O ATOM 1120 OE2 GLU A 74 7.844 -10.616 15.770 1.00 0.00 O1- ATOM 1121 OXT GLU A 74 9.858 -5.652 14.328 1.00 0.00 O1- ATOM 0 H GLU A 74 6.607 -5.106 13.628 1.00 0.00 H new ATOM 0 HA GLU A 74 7.314 -5.627 16.304 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.265 -7.236 14.716 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.746 -7.273 13.781 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.959 -8.236 15.699 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.510 -8.148 16.680 1.00 0.00 H new TER 1128 GLU A 74