USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 539 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 34 ASN : amide:sc= 0.806 K(o=0.81,f=-6.8!) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -162:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -61:sc= 1 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 26 SER OG : rot 180:sc= -2.88 USER MOD Single : A 30 GLN : amide:sc= -2.62! C(o=-2.6!,f=-5!) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -16.2! C(o=-16!,f=-26!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 171:sc= -0.344 (180deg=-0.603) USER MOD Single : A 47 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-6.1!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.832 USER MOD Single : A 54 TYR OH : 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+ -169:sc= 0 (180deg=-0.134) USER MOD Single : A 62 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.39) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 16 -8.822 -4.918 4.856 1.00 0.00 N ATOM 2 CA GLU A 16 -7.789 -5.966 4.614 1.00 0.00 C ATOM 3 C GLU A 16 -7.844 -6.437 3.158 1.00 0.00 C ATOM 4 O GLU A 16 -7.041 -7.240 2.725 1.00 0.00 O ATOM 5 CB GLU A 16 -8.154 -7.109 5.564 1.00 0.00 C ATOM 6 CG GLU A 16 -6.946 -8.032 5.739 1.00 0.00 C ATOM 7 CD GLU A 16 -6.904 -8.547 7.179 1.00 0.00 C ATOM 8 OE1 GLU A 16 -6.937 -7.727 8.082 1.00 0.00 O ATOM 9 OE2 GLU A 16 -6.841 -9.752 7.353 1.00 0.00 O ATOM 0 HA GLU A 16 -6.778 -5.598 4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.462 -6.709 6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.000 -7.670 5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.010 -8.869 5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.027 -7.494 5.507 1.00 0.00 H new ATOM 16 N GLU A 17 -8.785 -5.945 2.399 1.00 0.00 N ATOM 17 CA GLU A 17 -8.890 -6.362 0.971 1.00 0.00 C ATOM 18 C GLU A 17 -9.415 -5.202 0.123 1.00 0.00 C ATOM 19 O GLU A 17 -10.406 -4.580 0.453 1.00 0.00 O ATOM 20 CB GLU A 17 -9.887 -7.523 0.969 1.00 0.00 C ATOM 21 CG GLU A 17 -9.143 -8.840 1.200 1.00 0.00 C ATOM 22 CD GLU A 17 -10.002 -10.008 0.709 1.00 0.00 C ATOM 23 OE1 GLU A 17 -11.009 -10.285 1.341 1.00 0.00 O ATOM 24 OE2 GLU A 17 -9.637 -10.607 -0.289 1.00 0.00 O ATOM 0 H GLU A 17 -9.487 -5.271 2.706 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.927 -6.653 0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.635 -7.375 1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.419 -7.556 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.190 -8.829 0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.918 -8.961 2.260 1.00 0.00 H new ATOM 31 N GLU A 18 -8.757 -4.904 -0.965 1.00 0.00 N ATOM 32 CA GLU A 18 -9.215 -3.779 -1.835 1.00 0.00 C ATOM 33 C GLU A 18 -10.742 -3.782 -1.955 1.00 0.00 C ATOM 34 O GLU A 18 -11.338 -4.744 -2.398 1.00 0.00 O ATOM 35 CB GLU A 18 -8.572 -4.043 -3.199 1.00 0.00 C ATOM 36 CG GLU A 18 -9.206 -5.282 -3.835 1.00 0.00 C ATOM 37 CD GLU A 18 -8.137 -6.065 -4.598 1.00 0.00 C ATOM 38 OE1 GLU A 18 -7.432 -5.455 -5.385 1.00 0.00 O ATOM 39 OE2 GLU A 18 -8.040 -7.262 -4.382 1.00 0.00 O ATOM 0 H GLU A 18 -7.922 -5.390 -1.290 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.932 -2.808 -1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.707 -3.179 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.498 -4.190 -3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.653 -5.911 -3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.008 -4.987 -4.511 1.00 0.00 H new ATOM 46 N SER A 19 -11.378 -2.711 -1.562 1.00 0.00 N ATOM 47 CA SER A 19 -12.865 -2.652 -1.652 1.00 0.00 C ATOM 48 C SER A 19 -13.356 -1.222 -1.408 1.00 0.00 C ATOM 49 O SER A 19 -13.997 -0.937 -0.417 1.00 0.00 O ATOM 50 CB SER A 19 -13.366 -3.583 -0.551 1.00 0.00 C ATOM 51 OG SER A 19 -14.663 -3.171 -0.140 1.00 0.00 O ATOM 0 H SER A 19 -10.932 -1.875 -1.183 1.00 0.00 H new ATOM 0 HA SER A 19 -13.229 -2.949 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.396 -4.610 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.681 -3.564 0.296 1.00 0.00 H new ATOM 0 HG SER A 19 -14.619 -2.259 0.217 1.00 0.00 H new ATOM 57 N PHE A 20 -13.060 -0.320 -2.304 1.00 0.00 N ATOM 58 CA PHE A 20 -13.510 1.089 -2.118 1.00 0.00 C ATOM 59 C PHE A 20 -13.009 1.627 -0.777 1.00 0.00 C ATOM 60 O PHE A 20 -13.550 1.320 0.267 1.00 0.00 O ATOM 61 CB PHE A 20 -15.037 1.020 -2.131 1.00 0.00 C ATOM 62 CG PHE A 20 -15.607 2.413 -2.002 1.00 0.00 C ATOM 63 CD1 PHE A 20 -14.973 3.492 -2.630 1.00 0.00 C ATOM 64 CD2 PHE A 20 -16.772 2.625 -1.252 1.00 0.00 C ATOM 65 CE1 PHE A 20 -15.502 4.781 -2.509 1.00 0.00 C ATOM 66 CE2 PHE A 20 -17.301 3.914 -1.132 1.00 0.00 C ATOM 67 CZ PHE A 20 -16.667 4.994 -1.760 1.00 0.00 C ATOM 0 H PHE A 20 -12.527 -0.497 -3.155 1.00 0.00 H new ATOM 0 HA PHE A 20 -13.126 1.753 -2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -15.383 0.559 -3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -15.390 0.394 -1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -14.075 3.329 -3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -17.261 1.793 -0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -15.012 5.613 -2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -18.199 4.077 -0.555 1.00 0.00 H new ATOM 0 HZ PHE A 20 -17.076 5.989 -1.667 1.00 0.00 H new ATOM 77 N GLY A 21 -11.976 2.426 -0.794 1.00 0.00 N ATOM 78 CA GLY A 21 -11.444 2.977 0.481 1.00 0.00 C ATOM 79 C GLY A 21 -9.914 2.995 0.436 1.00 0.00 C ATOM 80 O GLY A 21 -9.299 4.012 0.689 1.00 0.00 O ATOM 0 H GLY A 21 -11.480 2.719 -1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.825 3.986 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.786 2.372 1.321 1.00 0.00 H new ATOM 84 N PRO A 22 -9.349 1.861 0.118 1.00 0.00 N ATOM 85 CA PRO A 22 -7.875 1.741 0.043 1.00 0.00 C ATOM 86 C PRO A 22 -7.344 2.377 -1.246 1.00 0.00 C ATOM 87 O PRO A 22 -7.019 1.693 -2.196 1.00 0.00 O ATOM 88 CB PRO A 22 -7.638 0.235 0.044 1.00 0.00 C ATOM 89 CG PRO A 22 -8.900 -0.364 -0.494 1.00 0.00 C ATOM 90 CD PRO A 22 -10.024 0.597 -0.198 1.00 0.00 C ATOM 0 HA PRO A 22 -7.364 2.250 0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.782 -0.029 -0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.427 -0.129 1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -8.815 -0.535 -1.567 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -9.092 -1.332 -0.031 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -10.690 0.705 -1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -10.633 0.252 0.638 1.00 0.00 H new ATOM 98 N GLN A 23 -7.249 3.679 -1.285 1.00 0.00 N ATOM 99 CA GLN A 23 -6.734 4.354 -2.512 1.00 0.00 C ATOM 100 C GLN A 23 -5.731 5.446 -2.135 1.00 0.00 C ATOM 101 O GLN A 23 -4.553 5.297 -2.381 1.00 0.00 O ATOM 102 CB GLN A 23 -7.968 4.935 -3.206 1.00 0.00 C ATOM 103 CG GLN A 23 -8.466 3.954 -4.269 1.00 0.00 C ATOM 104 CD GLN A 23 -9.783 3.325 -3.808 1.00 0.00 C ATOM 105 OE1 GLN A 23 -10.777 4.007 -3.664 1.00 0.00 O ATOM 106 NE2 GLN A 23 -9.831 2.043 -3.569 1.00 0.00 N ATOM 0 H GLN A 23 -7.505 4.304 -0.521 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.203 3.667 -3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.754 5.125 -2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.723 5.892 -3.666 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.611 4.472 -5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.720 3.178 -4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.996 1.470 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.704 1.614 -3.261 1.00 0.00 H new ATOM 115 N PRO A 24 -6.203 6.502 -1.533 1.00 0.00 N ATOM 116 CA PRO A 24 -5.277 7.581 -1.129 1.00 0.00 C ATOM 117 C PRO A 24 -4.377 7.066 -0.008 1.00 0.00 C ATOM 118 O PRO A 24 -4.372 7.587 1.090 1.00 0.00 O ATOM 119 CB PRO A 24 -6.203 8.696 -0.650 1.00 0.00 C ATOM 120 CG PRO A 24 -7.463 7.999 -0.257 1.00 0.00 C ATOM 121 CD PRO A 24 -7.592 6.803 -1.167 1.00 0.00 C ATOM 0 HA PRO A 24 -4.616 7.927 -1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.770 9.236 0.192 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.384 9.427 -1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.426 7.690 0.787 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.322 8.661 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.065 5.962 -0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.199 7.029 -2.044 1.00 0.00 H new ATOM 129 N ILE A 25 -3.616 6.039 -0.282 1.00 0.00 N ATOM 130 CA ILE A 25 -2.719 5.482 0.757 1.00 0.00 C ATOM 131 C ILE A 25 -1.504 6.387 0.913 1.00 0.00 C ATOM 132 O ILE A 25 -0.713 6.238 1.822 1.00 0.00 O ATOM 133 CB ILE A 25 -2.299 4.108 0.239 1.00 0.00 C ATOM 134 CG1 ILE A 25 -1.349 4.285 -0.944 1.00 0.00 C ATOM 135 CG2 ILE A 25 -3.531 3.324 -0.209 1.00 0.00 C ATOM 136 CD1 ILE A 25 0.094 4.314 -0.438 1.00 0.00 C ATOM 0 H ILE A 25 -3.581 5.565 -1.185 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.204 5.409 1.730 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.797 3.559 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.480 3.469 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.579 5.210 -1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.225 2.345 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.209 3.198 0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.039 3.869 -1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.773 4.440 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.219 5.145 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.320 3.378 0.072 1.00 0.00 H new ATOM 148 N SER A 26 -1.353 7.323 0.020 1.00 0.00 N ATOM 149 CA SER A 26 -0.188 8.249 0.100 1.00 0.00 C ATOM 150 C SER A 26 0.079 8.653 1.556 1.00 0.00 C ATOM 151 O SER A 26 0.986 8.154 2.191 1.00 0.00 O ATOM 152 CB SER A 26 -0.597 9.466 -0.730 1.00 0.00 C ATOM 153 OG SER A 26 -0.879 9.052 -2.060 1.00 0.00 O ATOM 0 H SER A 26 -1.986 7.488 -0.763 1.00 0.00 H new ATOM 0 HA SER A 26 0.729 7.790 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.474 9.942 -0.291 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.202 10.207 -0.729 1.00 0.00 H new ATOM 0 HG SER A 26 -1.143 9.829 -2.595 1.00 0.00 H new ATOM 159 N ARG A 27 -0.701 9.553 2.089 1.00 0.00 N ATOM 160 CA ARG A 27 -0.485 9.996 3.500 1.00 0.00 C ATOM 161 C ARG A 27 -0.203 8.803 4.420 1.00 0.00 C ATOM 162 O ARG A 27 0.532 8.915 5.381 1.00 0.00 O ATOM 163 CB ARG A 27 -1.791 10.678 3.908 1.00 0.00 C ATOM 164 CG ARG A 27 -1.748 12.151 3.496 1.00 0.00 C ATOM 165 CD ARG A 27 -2.893 12.906 4.177 1.00 0.00 C ATOM 166 NE ARG A 27 -3.084 14.136 3.358 1.00 0.00 N ATOM 167 CZ ARG A 27 -3.715 14.073 2.216 1.00 0.00 C ATOM 168 NH1 ARG A 27 -4.181 12.933 1.785 1.00 0.00 N ATOM 169 NH2 ARG A 27 -3.881 15.156 1.504 1.00 0.00 N ATOM 0 H ARG A 27 -1.481 10.003 1.609 1.00 0.00 H new ATOM 0 HA ARG A 27 0.376 10.660 3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.637 10.181 3.433 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.936 10.595 4.985 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.791 12.590 3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.834 12.239 2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.802 12.305 4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.644 13.154 5.209 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.721 15.030 3.690 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.053 12.087 2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.673 12.888 0.893 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.518 16.048 1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.373 15.109 0.612 1.00 0.00 H new ATOM 183 N LEU A 28 -0.787 7.670 4.150 1.00 0.00 N ATOM 184 CA LEU A 28 -0.555 6.489 5.034 1.00 0.00 C ATOM 185 C LEU A 28 0.907 6.030 4.978 1.00 0.00 C ATOM 186 O LEU A 28 1.660 6.223 5.912 1.00 0.00 O ATOM 187 CB LEU A 28 -1.492 5.405 4.505 1.00 0.00 C ATOM 188 CG LEU A 28 -2.710 5.302 5.429 1.00 0.00 C ATOM 189 CD1 LEU A 28 -3.960 5.790 4.692 1.00 0.00 C ATOM 190 CD2 LEU A 28 -2.905 3.848 5.864 1.00 0.00 C ATOM 0 H LEU A 28 -1.412 7.508 3.360 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.753 6.723 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.809 5.644 3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.972 4.448 4.459 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.546 5.923 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.824 5.715 5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.822 6.828 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.125 5.174 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.772 3.778 6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.064 3.224 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.018 3.505 6.396 1.00 0.00 H new ATOM 202 N GLU A 29 1.311 5.412 3.903 1.00 0.00 N ATOM 203 CA GLU A 29 2.722 4.928 3.806 1.00 0.00 C ATOM 204 C GLU A 29 3.668 6.064 3.402 1.00 0.00 C ATOM 205 O GLU A 29 4.833 6.059 3.748 1.00 0.00 O ATOM 206 CB GLU A 29 2.692 3.850 2.718 1.00 0.00 C ATOM 207 CG GLU A 29 2.630 4.502 1.337 1.00 0.00 C ATOM 208 CD GLU A 29 4.049 4.732 0.819 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.660 3.772 0.378 1.00 0.00 O ATOM 210 OE2 GLU A 29 4.502 5.863 0.874 1.00 0.00 O ATOM 0 H GLU A 29 0.729 5.220 3.088 1.00 0.00 H new ATOM 0 HA GLU A 29 3.086 4.548 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.579 3.221 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.828 3.201 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.078 3.864 0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.094 5.449 1.394 1.00 0.00 H new ATOM 217 N GLN A 30 3.193 7.031 2.663 1.00 0.00 N ATOM 218 CA GLN A 30 4.098 8.139 2.243 1.00 0.00 C ATOM 219 C GLN A 30 4.585 8.909 3.474 1.00 0.00 C ATOM 220 O GLN A 30 5.712 9.361 3.528 1.00 0.00 O ATOM 221 CB GLN A 30 3.266 9.032 1.305 1.00 0.00 C ATOM 222 CG GLN A 30 2.571 10.151 2.095 1.00 0.00 C ATOM 223 CD GLN A 30 3.561 11.291 2.342 1.00 0.00 C ATOM 224 OE1 GLN A 30 4.576 11.382 1.680 1.00 0.00 O ATOM 225 NE2 GLN A 30 3.310 12.170 3.274 1.00 0.00 N ATOM 0 H GLN A 30 2.230 7.102 2.336 1.00 0.00 H new ATOM 0 HA GLN A 30 4.989 7.774 1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.911 9.466 0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.520 8.429 0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.707 10.519 1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.201 9.765 3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.458 12.095 3.830 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.966 12.932 3.446 1.00 0.00 H new ATOM 234 N CYS A 31 3.752 9.048 4.467 1.00 0.00 N ATOM 235 CA CYS A 31 4.183 9.775 5.691 1.00 0.00 C ATOM 236 C CYS A 31 5.043 8.846 6.547 1.00 0.00 C ATOM 237 O CYS A 31 5.655 9.257 7.513 1.00 0.00 O ATOM 238 CB CYS A 31 2.889 10.139 6.419 1.00 0.00 C ATOM 239 SG CYS A 31 3.136 11.669 7.356 1.00 0.00 S ATOM 0 H CYS A 31 2.796 8.691 4.484 1.00 0.00 H new ATOM 0 HA CYS A 31 4.776 10.663 5.470 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.078 10.266 5.701 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.597 9.331 7.090 1.00 0.00 H new ATOM 0 HG CYS A 31 2.036 11.982 7.974 1.00 0.00 H new ATOM 245 N GLY A 32 5.103 7.592 6.187 1.00 0.00 N ATOM 246 CA GLY A 32 5.931 6.634 6.964 1.00 0.00 C ATOM 247 C GLY A 32 5.035 5.651 7.718 1.00 0.00 C ATOM 248 O GLY A 32 4.984 5.660 8.932 1.00 0.00 O ATOM 0 H GLY A 32 4.613 7.192 5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.596 6.090 6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.562 7.176 7.668 1.00 0.00 H new ATOM 252 N ILE A 33 4.345 4.782 7.024 1.00 0.00 N ATOM 253 CA ILE A 33 3.494 3.800 7.741 1.00 0.00 C ATOM 254 C ILE A 33 4.401 2.677 8.257 1.00 0.00 C ATOM 255 O ILE A 33 5.391 2.930 8.913 1.00 0.00 O ATOM 256 CB ILE A 33 2.454 3.302 6.710 1.00 0.00 C ATOM 257 CG1 ILE A 33 1.362 2.513 7.441 1.00 0.00 C ATOM 258 CG2 ILE A 33 3.112 2.406 5.647 1.00 0.00 C ATOM 259 CD1 ILE A 33 0.313 3.482 7.989 1.00 0.00 C ATOM 0 H ILE A 33 4.337 4.714 6.006 1.00 0.00 H new ATOM 0 HA ILE A 33 2.972 4.216 8.603 1.00 0.00 H new ATOM 0 HB ILE A 33 2.022 4.166 6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.895 1.802 6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.799 1.935 8.255 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.357 2.071 4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.881 2.971 5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.565 1.540 6.130 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.464 2.921 8.509 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.786 4.176 8.684 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.132 4.040 7.165 1.00 0.00 H new ATOM 271 N ASN A 34 4.096 1.455 7.965 1.00 0.00 N ATOM 272 CA ASN A 34 4.968 0.341 8.441 1.00 0.00 C ATOM 273 C ASN A 34 6.142 0.147 7.474 1.00 0.00 C ATOM 274 O ASN A 34 6.524 1.056 6.762 1.00 0.00 O ATOM 275 CB ASN A 34 4.070 -0.897 8.459 1.00 0.00 C ATOM 276 CG ASN A 34 4.538 -1.846 9.565 1.00 0.00 C ATOM 277 OD1 ASN A 34 5.661 -2.308 9.550 1.00 0.00 O ATOM 278 ND2 ASN A 34 3.718 -2.156 10.532 1.00 0.00 N ATOM 0 H ASN A 34 3.283 1.170 7.418 1.00 0.00 H new ATOM 0 HA ASN A 34 5.393 0.540 9.425 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.033 -0.606 8.628 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.106 -1.400 7.493 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.020 -2.786 11.275 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.775 -1.768 10.545 1.00 0.00 H new ATOM 285 N ALA A 35 6.718 -1.027 7.440 1.00 0.00 N ATOM 286 CA ALA A 35 7.866 -1.268 6.512 1.00 0.00 C ATOM 287 C ALA A 35 7.590 -0.641 5.154 1.00 0.00 C ATOM 288 O ALA A 35 8.493 -0.319 4.405 1.00 0.00 O ATOM 289 CB ALA A 35 7.939 -2.786 6.341 1.00 0.00 C ATOM 0 H ALA A 35 6.445 -1.827 8.012 1.00 0.00 H new ATOM 0 HA ALA A 35 8.788 -0.839 6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.761 -3.038 5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.106 -3.254 7.311 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.002 -3.150 5.919 1.00 0.00 H new ATOM 295 N ASN A 36 6.345 -0.516 4.810 1.00 0.00 N ATOM 296 CA ASN A 36 6.005 0.032 3.468 1.00 0.00 C ATOM 297 C ASN A 36 6.882 1.222 3.109 1.00 0.00 C ATOM 298 O ASN A 36 7.701 1.141 2.219 1.00 0.00 O ATOM 299 CB ASN A 36 4.538 0.491 3.487 1.00 0.00 C ATOM 300 CG ASN A 36 3.714 -0.320 4.488 1.00 0.00 C ATOM 301 OD1 ASN A 36 4.066 -0.414 5.647 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.623 -0.910 4.091 1.00 0.00 N ATOM 0 H ASN A 36 5.548 -0.767 5.395 1.00 0.00 H new ATOM 0 HA ASN A 36 6.169 -0.749 2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.489 1.549 3.745 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.109 0.386 2.490 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.065 -1.450 4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.326 -0.832 3.118 1.00 0.00 H new ATOM 309 N ASP A 37 6.684 2.330 3.777 1.00 0.00 N ATOM 310 CA ASP A 37 7.472 3.560 3.472 1.00 0.00 C ATOM 311 C ASP A 37 8.834 3.208 2.876 1.00 0.00 C ATOM 312 O ASP A 37 9.176 3.616 1.784 1.00 0.00 O ATOM 313 CB ASP A 37 7.644 4.259 4.821 1.00 0.00 C ATOM 314 CG ASP A 37 8.589 5.451 4.662 1.00 0.00 C ATOM 315 OD1 ASP A 37 9.791 5.240 4.706 1.00 0.00 O ATOM 316 OD2 ASP A 37 8.097 6.554 4.496 1.00 0.00 O ATOM 0 H ASP A 37 6.002 2.435 4.529 1.00 0.00 H new ATOM 0 HA ASP A 37 6.970 4.190 2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.677 4.596 5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.043 3.560 5.556 1.00 0.00 H new ATOM 321 N VAL A 38 9.607 2.448 3.588 1.00 0.00 N ATOM 322 CA VAL A 38 10.951 2.063 3.086 1.00 0.00 C ATOM 323 C VAL A 38 10.891 1.407 1.701 1.00 0.00 C ATOM 324 O VAL A 38 11.342 1.968 0.719 1.00 0.00 O ATOM 325 CB VAL A 38 11.472 1.056 4.112 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.839 0.536 3.665 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.607 1.737 5.475 1.00 0.00 C ATOM 0 H VAL A 38 9.365 2.072 4.505 1.00 0.00 H new ATOM 0 HA VAL A 38 11.590 2.939 2.974 1.00 0.00 H new ATOM 0 HB VAL A 38 10.773 0.223 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.212 -0.182 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.744 0.050 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.537 1.369 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.978 1.018 6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.306 2.570 5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.633 2.108 5.794 1.00 0.00 H new ATOM 337 N LYS A 39 10.385 0.205 1.618 1.00 0.00 N ATOM 338 CA LYS A 39 10.368 -0.501 0.301 1.00 0.00 C ATOM 339 C LYS A 39 9.108 -0.217 -0.525 1.00 0.00 C ATOM 340 O LYS A 39 9.157 -0.195 -1.738 1.00 0.00 O ATOM 341 CB LYS A 39 10.447 -1.985 0.662 1.00 0.00 C ATOM 342 CG LYS A 39 9.218 -2.380 1.480 1.00 0.00 C ATOM 343 CD LYS A 39 9.640 -3.300 2.628 1.00 0.00 C ATOM 344 CE LYS A 39 10.472 -2.507 3.641 1.00 0.00 C ATOM 345 NZ LYS A 39 11.331 -3.522 4.314 1.00 0.00 N ATOM 0 H LYS A 39 9.985 -0.316 2.398 1.00 0.00 H new ATOM 0 HA LYS A 39 11.192 -0.162 -0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.502 -2.588 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.355 -2.183 1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.730 -1.489 1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.492 -2.886 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.759 -3.719 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.220 -4.138 2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.075 -1.745 3.146 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.834 -1.992 4.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.931 -3.054 5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.730 -4.230 4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.933 -3.991 3.607 1.00 0.00 H new ATOM 359 N LYS A 40 7.979 -0.020 0.089 1.00 0.00 N ATOM 360 CA LYS A 40 6.760 0.223 -0.722 1.00 0.00 C ATOM 361 C LYS A 40 6.827 1.589 -1.400 1.00 0.00 C ATOM 362 O LYS A 40 6.547 1.726 -2.566 1.00 0.00 O ATOM 363 CB LYS A 40 5.604 0.185 0.262 1.00 0.00 C ATOM 364 CG LYS A 40 4.558 -0.829 -0.214 1.00 0.00 C ATOM 365 CD LYS A 40 3.152 -0.340 0.147 1.00 0.00 C ATOM 366 CE LYS A 40 2.960 1.103 -0.327 1.00 0.00 C ATOM 367 NZ LYS A 40 1.653 1.103 -1.040 1.00 0.00 N ATOM 0 H LYS A 40 7.848 -0.016 1.101 1.00 0.00 H new ATOM 0 HA LYS A 40 6.651 -0.520 -1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.966 -0.088 1.253 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.154 1.174 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.638 -0.968 -1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.744 -1.799 0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.404 -0.985 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.003 -0.400 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.951 1.797 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.770 1.413 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.378 2.081 -1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.739 0.560 -1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.927 0.668 -0.435 1.00 0.00 H new ATOM 381 N LEU A 41 7.168 2.615 -0.673 1.00 0.00 N ATOM 382 CA LEU A 41 7.206 3.967 -1.299 1.00 0.00 C ATOM 383 C LEU A 41 8.529 4.237 -2.040 1.00 0.00 C ATOM 384 O LEU A 41 8.568 5.026 -2.960 1.00 0.00 O ATOM 385 CB LEU A 41 7.007 4.940 -0.122 1.00 0.00 C ATOM 386 CG LEU A 41 8.321 5.650 0.231 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.561 6.793 -0.752 1.00 0.00 C ATOM 388 CD2 LEU A 41 8.234 6.209 1.648 1.00 0.00 C ATOM 0 H LEU A 41 7.419 2.579 0.315 1.00 0.00 H new ATOM 0 HA LEU A 41 6.439 4.076 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.248 5.679 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.639 4.395 0.747 1.00 0.00 H new ATOM 0 HG LEU A 41 9.145 4.939 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.494 7.298 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.624 6.395 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.737 7.504 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.167 6.713 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.410 6.920 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.062 5.394 2.351 1.00 0.00 H new ATOM 400 N GLU A 42 9.617 3.641 -1.641 1.00 0.00 N ATOM 401 CA GLU A 42 10.897 3.957 -2.342 1.00 0.00 C ATOM 402 C GLU A 42 11.145 3.069 -3.568 1.00 0.00 C ATOM 403 O GLU A 42 11.374 3.565 -4.653 1.00 0.00 O ATOM 404 CB GLU A 42 11.992 3.747 -1.297 1.00 0.00 C ATOM 405 CG GLU A 42 13.305 4.350 -1.805 1.00 0.00 C ATOM 406 CD GLU A 42 14.483 3.522 -1.290 1.00 0.00 C ATOM 407 OE1 GLU A 42 14.251 2.637 -0.484 1.00 0.00 O ATOM 408 OE2 GLU A 42 15.597 3.786 -1.712 1.00 0.00 O ATOM 0 H GLU A 42 9.680 2.965 -0.880 1.00 0.00 H new ATOM 0 HA GLU A 42 10.874 4.975 -2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.705 4.215 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.121 2.683 -1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.310 4.370 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.398 5.382 -1.467 1.00 0.00 H new ATOM 415 N GLU A 43 11.137 1.772 -3.402 1.00 0.00 N ATOM 416 CA GLU A 43 11.408 0.860 -4.560 1.00 0.00 C ATOM 417 C GLU A 43 10.829 1.426 -5.859 1.00 0.00 C ATOM 418 O GLU A 43 11.508 1.526 -6.862 1.00 0.00 O ATOM 419 CB GLU A 43 10.720 -0.454 -4.200 1.00 0.00 C ATOM 420 CG GLU A 43 11.371 -1.039 -2.948 1.00 0.00 C ATOM 421 CD GLU A 43 12.880 -1.165 -3.160 1.00 0.00 C ATOM 422 OE1 GLU A 43 13.287 -2.089 -3.843 1.00 0.00 O ATOM 423 OE2 GLU A 43 13.602 -0.336 -2.631 1.00 0.00 O ATOM 0 H GLU A 43 10.955 1.302 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 43 12.478 0.736 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.657 -0.285 -4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.800 -1.158 -5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.167 -0.400 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.943 -2.017 -2.727 1.00 0.00 H new ATOM 430 N ALA A 44 9.583 1.799 -5.850 1.00 0.00 N ATOM 431 CA ALA A 44 8.966 2.361 -7.084 1.00 0.00 C ATOM 432 C ALA A 44 8.223 3.650 -6.751 1.00 0.00 C ATOM 433 O ALA A 44 8.319 4.638 -7.452 1.00 0.00 O ATOM 434 CB ALA A 44 7.979 1.299 -7.556 1.00 0.00 C ATOM 0 H ALA A 44 8.963 1.740 -5.042 1.00 0.00 H new ATOM 0 HA ALA A 44 9.710 2.597 -7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.483 1.641 -8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.513 0.372 -7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.234 1.124 -6.780 1.00 0.00 H new ATOM 440 N GLY A 45 7.481 3.646 -5.681 1.00 0.00 N ATOM 441 CA GLY A 45 6.732 4.873 -5.303 1.00 0.00 C ATOM 442 C GLY A 45 5.226 4.608 -5.342 1.00 0.00 C ATOM 443 O GLY A 45 4.462 5.432 -5.802 1.00 0.00 O ATOM 0 H GLY A 45 7.361 2.850 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.026 5.194 -4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.983 5.685 -5.985 1.00 0.00 H new ATOM 447 N PHE A 46 4.779 3.479 -4.853 1.00 0.00 N ATOM 448 CA PHE A 46 3.295 3.218 -4.868 1.00 0.00 C ATOM 449 C PHE A 46 2.600 4.001 -3.746 1.00 0.00 C ATOM 450 O PHE A 46 1.449 3.765 -3.446 1.00 0.00 O ATOM 451 CB PHE A 46 3.100 1.719 -4.639 1.00 0.00 C ATOM 452 CG PHE A 46 4.011 0.948 -5.546 1.00 0.00 C ATOM 453 CD1 PHE A 46 5.294 0.651 -5.116 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.583 0.543 -6.815 1.00 0.00 C ATOM 455 CE1 PHE A 46 6.163 -0.048 -5.933 1.00 0.00 C ATOM 456 CE2 PHE A 46 4.456 -0.167 -7.647 1.00 0.00 C ATOM 457 CZ PHE A 46 5.751 -0.463 -7.205 1.00 0.00 C ATOM 0 H PHE A 46 5.355 2.739 -4.452 1.00 0.00 H new ATOM 0 HA PHE A 46 2.864 3.535 -5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.310 1.470 -3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.063 1.444 -4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.618 0.968 -4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.584 0.777 -7.151 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.162 -0.274 -5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.132 -0.486 -8.627 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.430 -1.010 -7.843 1.00 0.00 H new ATOM 467 N HIS A 47 3.294 4.916 -3.121 1.00 0.00 N ATOM 468 CA HIS A 47 2.682 5.715 -2.010 1.00 0.00 C ATOM 469 C HIS A 47 1.455 6.487 -2.503 1.00 0.00 C ATOM 470 O HIS A 47 1.464 7.697 -2.608 1.00 0.00 O ATOM 471 CB HIS A 47 3.783 6.684 -1.577 1.00 0.00 C ATOM 472 CG HIS A 47 4.202 7.517 -2.756 1.00 0.00 C ATOM 473 ND1 HIS A 47 5.232 7.136 -3.601 1.00 0.00 N ATOM 474 CD2 HIS A 47 3.735 8.711 -3.249 1.00 0.00 C ATOM 475 CE1 HIS A 47 5.349 8.083 -4.551 1.00 0.00 C ATOM 476 NE2 HIS A 47 4.462 9.066 -4.383 1.00 0.00 N ATOM 0 H HIS A 47 4.265 5.148 -3.332 1.00 0.00 H new ATOM 0 HA HIS A 47 2.339 5.081 -1.192 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.423 7.326 -0.773 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.637 6.131 -1.186 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.927 9.287 -2.822 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.073 8.051 -5.352 1.00 0.00 H new ATOM 0 HE2 HIS A 47 4.342 9.898 -4.961 1.00 0.00 H new ATOM 484 N THR A 48 0.403 5.784 -2.797 1.00 0.00 N ATOM 485 CA THR A 48 -0.847 6.432 -3.281 1.00 0.00 C ATOM 486 C THR A 48 -1.764 5.357 -3.860 1.00 0.00 C ATOM 487 O THR A 48 -1.418 4.194 -3.886 1.00 0.00 O ATOM 488 CB THR A 48 -0.418 7.413 -4.378 1.00 0.00 C ATOM 489 OG1 THR A 48 -1.542 7.721 -5.193 1.00 0.00 O ATOM 490 CG2 THR A 48 0.677 6.783 -5.239 1.00 0.00 C ATOM 0 H THR A 48 0.353 4.768 -2.722 1.00 0.00 H new ATOM 0 HA THR A 48 -1.384 6.948 -2.485 1.00 0.00 H new ATOM 0 HB THR A 48 -0.032 8.324 -3.920 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.274 8.350 -5.896 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.977 7.485 -6.017 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.538 6.543 -4.615 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.298 5.871 -5.700 1.00 0.00 H new ATOM 498 N VAL A 49 -2.924 5.731 -4.320 1.00 0.00 N ATOM 499 CA VAL A 49 -3.861 4.723 -4.904 1.00 0.00 C ATOM 500 C VAL A 49 -3.087 3.676 -5.711 1.00 0.00 C ATOM 501 O VAL A 49 -3.513 2.546 -5.841 1.00 0.00 O ATOM 502 CB VAL A 49 -4.778 5.523 -5.827 1.00 0.00 C ATOM 503 CG1 VAL A 49 -5.397 6.686 -5.053 1.00 0.00 C ATOM 504 CG2 VAL A 49 -3.960 6.071 -6.999 1.00 0.00 C ATOM 0 H VAL A 49 -3.267 6.691 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.415 4.187 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.571 4.876 -6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.051 7.256 -5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.976 6.298 -4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.606 7.335 -4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.610 6.643 -7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.169 6.718 -6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.517 5.243 -7.552 1.00 0.00 H new ATOM 514 N GLU A 50 -1.956 4.044 -6.256 1.00 0.00 N ATOM 515 CA GLU A 50 -1.154 3.071 -7.053 1.00 0.00 C ATOM 516 C GLU A 50 -1.180 1.690 -6.393 1.00 0.00 C ATOM 517 O GLU A 50 -1.107 0.673 -7.054 1.00 0.00 O ATOM 518 CB GLU A 50 0.267 3.637 -7.047 1.00 0.00 C ATOM 519 CG GLU A 50 0.863 3.552 -8.453 1.00 0.00 C ATOM 520 CD GLU A 50 1.863 4.693 -8.652 1.00 0.00 C ATOM 521 OE1 GLU A 50 1.898 5.576 -7.812 1.00 0.00 O ATOM 522 OE2 GLU A 50 2.577 4.664 -9.642 1.00 0.00 O ATOM 0 H GLU A 50 -1.554 4.978 -6.183 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.544 2.946 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.254 4.673 -6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.887 3.080 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.359 2.591 -8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.071 3.613 -9.200 1.00 0.00 H new ATOM 529 N ALA A 51 -1.285 1.649 -5.095 1.00 0.00 N ATOM 530 CA ALA A 51 -1.317 0.337 -4.390 1.00 0.00 C ATOM 531 C ALA A 51 -2.535 -0.478 -4.838 1.00 0.00 C ATOM 532 O ALA A 51 -2.614 -1.669 -4.610 1.00 0.00 O ATOM 533 CB ALA A 51 -1.423 0.690 -2.906 1.00 0.00 C ATOM 0 H ALA A 51 -1.350 2.468 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.436 -0.269 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.452 -0.226 -2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.559 1.285 -2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.334 1.263 -2.732 1.00 0.00 H new ATOM 539 N VAL A 52 -3.485 0.153 -5.473 1.00 0.00 N ATOM 540 CA VAL A 52 -4.697 -0.589 -5.930 1.00 0.00 C ATOM 541 C VAL A 52 -5.198 -0.025 -7.263 1.00 0.00 C ATOM 542 O VAL A 52 -6.198 0.662 -7.320 1.00 0.00 O ATOM 543 CB VAL A 52 -5.739 -0.368 -4.832 1.00 0.00 C ATOM 544 CG1 VAL A 52 -6.864 -1.393 -4.981 1.00 0.00 C ATOM 545 CG2 VAL A 52 -5.081 -0.535 -3.461 1.00 0.00 C ATOM 0 H VAL A 52 -3.475 1.148 -5.695 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.491 -1.647 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.148 0.638 -4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.606 -1.235 -4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.335 -1.277 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.454 -2.399 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.824 -0.377 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.671 -1.541 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.279 0.194 -3.351 1.00 0.00 H new ATOM 555 N ALA A 53 -4.512 -0.312 -8.336 1.00 0.00 N ATOM 556 CA ALA A 53 -4.951 0.207 -9.665 1.00 0.00 C ATOM 557 C ALA A 53 -3.873 -0.055 -10.719 1.00 0.00 C ATOM 558 O ALA A 53 -4.167 -0.382 -11.852 1.00 0.00 O ATOM 559 CB ALA A 53 -5.147 1.710 -9.463 1.00 0.00 C ATOM 0 H ALA A 53 -3.667 -0.883 -8.351 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.862 -0.279 -10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.471 2.164 -10.400 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.904 1.879 -8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.206 2.161 -9.148 1.00 0.00 H new ATOM 565 N TYR A 54 -2.628 0.085 -10.357 1.00 0.00 N ATOM 566 CA TYR A 54 -1.534 -0.155 -11.341 1.00 0.00 C ATOM 567 C TYR A 54 -1.110 -1.626 -11.307 1.00 0.00 C ATOM 568 O TYR A 54 -1.593 -2.439 -12.069 1.00 0.00 O ATOM 569 CB TYR A 54 -0.390 0.748 -10.883 1.00 0.00 C ATOM 570 CG TYR A 54 -0.548 2.112 -11.509 1.00 0.00 C ATOM 571 CD1 TYR A 54 -1.827 2.627 -11.750 1.00 0.00 C ATOM 572 CD2 TYR A 54 0.583 2.862 -11.850 1.00 0.00 C ATOM 573 CE1 TYR A 54 -1.974 3.891 -12.331 1.00 0.00 C ATOM 574 CE2 TYR A 54 0.437 4.126 -12.432 1.00 0.00 C ATOM 575 CZ TYR A 54 -0.842 4.642 -12.672 1.00 0.00 C ATOM 576 OH TYR A 54 -0.987 5.889 -13.245 1.00 0.00 O ATOM 0 H TYR A 54 -2.320 0.355 -9.423 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.838 0.062 -12.365 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.391 0.832 -9.796 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.568 0.313 -11.168 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.700 2.049 -11.487 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.570 2.465 -11.664 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.961 4.288 -12.517 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.311 4.703 -12.696 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.103 6.274 -13.418 1.00 0.00 H new ATOM 586 N ALA A 55 -0.213 -1.974 -10.427 1.00 0.00 N ATOM 587 CA ALA A 55 0.236 -3.394 -10.344 1.00 0.00 C ATOM 588 C ALA A 55 -0.377 -4.066 -9.114 1.00 0.00 C ATOM 589 O ALA A 55 -0.882 -3.401 -8.231 1.00 0.00 O ATOM 590 CB ALA A 55 1.758 -3.323 -10.210 1.00 0.00 C ATOM 0 H ALA A 55 0.229 -1.339 -9.762 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.069 -3.976 -11.214 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.165 -4.332 -10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.177 -2.820 -11.081 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.018 -2.766 -9.310 1.00 0.00 H new ATOM 596 N PRO A 56 -0.307 -5.370 -9.094 1.00 0.00 N ATOM 597 CA PRO A 56 -0.856 -6.140 -7.953 1.00 0.00 C ATOM 598 C PRO A 56 0.035 -5.953 -6.724 1.00 0.00 C ATOM 599 O PRO A 56 1.240 -6.099 -6.788 1.00 0.00 O ATOM 600 CB PRO A 56 -0.826 -7.584 -8.446 1.00 0.00 C ATOM 601 CG PRO A 56 0.239 -7.613 -9.493 1.00 0.00 C ATOM 602 CD PRO A 56 0.283 -6.242 -10.117 1.00 0.00 C ATOM 0 HA PRO A 56 -1.857 -5.827 -7.655 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.599 -8.274 -7.633 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.791 -7.881 -8.856 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.204 -7.868 -9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.020 -8.372 -10.244 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.304 -5.944 -10.356 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.285 -6.208 -11.047 1.00 0.00 H new ATOM 610 N LYS A 57 -0.546 -5.618 -5.606 1.00 0.00 N ATOM 611 CA LYS A 57 0.267 -5.408 -4.376 1.00 0.00 C ATOM 612 C LYS A 57 1.339 -6.493 -4.248 1.00 0.00 C ATOM 613 O LYS A 57 2.382 -6.275 -3.672 1.00 0.00 O ATOM 614 CB LYS A 57 -0.727 -5.498 -3.221 1.00 0.00 C ATOM 615 CG LYS A 57 -1.492 -6.819 -3.304 1.00 0.00 C ATOM 616 CD LYS A 57 -2.831 -6.674 -2.579 1.00 0.00 C ATOM 617 CE LYS A 57 -3.950 -7.233 -3.460 1.00 0.00 C ATOM 618 NZ LYS A 57 -4.215 -8.597 -2.925 1.00 0.00 N ATOM 0 H LYS A 57 -1.550 -5.480 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 57 0.790 -4.452 -4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.201 -5.430 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.423 -4.660 -3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.657 -7.092 -4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.906 -7.621 -2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.802 -7.206 -1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.022 -5.625 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.842 -6.609 -3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.647 -7.271 -4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.972 -9.046 -3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.350 -9.171 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.508 -8.529 -1.929 1.00 0.00 H new ATOM 632 N LYS A 58 1.087 -7.659 -4.776 1.00 0.00 N ATOM 633 CA LYS A 58 2.093 -8.759 -4.678 1.00 0.00 C ATOM 634 C LYS A 58 3.277 -8.490 -5.616 1.00 0.00 C ATOM 635 O LYS A 58 4.367 -8.987 -5.420 1.00 0.00 O ATOM 636 CB LYS A 58 1.340 -10.018 -5.107 1.00 0.00 C ATOM 637 CG LYS A 58 2.075 -11.257 -4.593 1.00 0.00 C ATOM 638 CD LYS A 58 1.216 -12.501 -4.836 1.00 0.00 C ATOM 639 CE LYS A 58 1.227 -13.384 -3.585 1.00 0.00 C ATOM 640 NZ LYS A 58 2.601 -13.954 -3.527 1.00 0.00 N ATOM 0 H LYS A 58 0.229 -7.900 -5.271 1.00 0.00 H new ATOM 0 HA LYS A 58 2.507 -8.851 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.323 -9.997 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.261 -10.054 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.034 -11.360 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.287 -11.151 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.194 -12.208 -5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.599 -13.059 -5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.003 -12.803 -2.690 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.476 -14.171 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.634 -14.709 -2.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.854 -14.346 -4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.277 -13.206 -3.272 1.00 0.00 H new ATOM 654 N GLU A 59 3.073 -7.701 -6.629 1.00 0.00 N ATOM 655 CA GLU A 59 4.190 -7.398 -7.576 1.00 0.00 C ATOM 656 C GLU A 59 5.040 -6.267 -7.015 1.00 0.00 C ATOM 657 O GLU A 59 6.250 -6.270 -7.129 1.00 0.00 O ATOM 658 CB GLU A 59 3.518 -6.978 -8.883 1.00 0.00 C ATOM 659 CG GLU A 59 4.571 -6.425 -9.848 1.00 0.00 C ATOM 660 CD GLU A 59 5.029 -7.537 -10.792 1.00 0.00 C ATOM 661 OE1 GLU A 59 5.739 -8.418 -10.336 1.00 0.00 O ATOM 662 OE2 GLU A 59 4.664 -7.489 -11.955 1.00 0.00 O ATOM 0 H GLU A 59 2.184 -7.251 -6.847 1.00 0.00 H new ATOM 0 HA GLU A 59 4.849 -8.253 -7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.010 -7.831 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.758 -6.222 -8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.156 -5.595 -10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.422 -6.033 -9.290 1.00 0.00 H new ATOM 669 N LEU A 60 4.425 -5.315 -6.384 1.00 0.00 N ATOM 670 CA LEU A 60 5.208 -4.219 -5.792 1.00 0.00 C ATOM 671 C LEU A 60 5.991 -4.814 -4.627 1.00 0.00 C ATOM 672 O LEU A 60 7.202 -4.857 -4.643 1.00 0.00 O ATOM 673 CB LEU A 60 4.149 -3.180 -5.361 1.00 0.00 C ATOM 674 CG LEU A 60 4.372 -2.697 -3.922 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.824 -2.262 -3.735 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.451 -1.508 -3.644 1.00 0.00 C ATOM 0 H LEU A 60 3.415 -5.253 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 60 5.933 -3.743 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.181 -2.327 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.155 -3.618 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 60 4.151 -3.511 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.973 -1.921 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.485 -3.105 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.052 -1.449 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.605 -1.160 -2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.678 -0.701 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.413 -1.815 -3.771 1.00 0.00 H new ATOM 688 N ILE A 61 5.310 -5.296 -3.628 1.00 0.00 N ATOM 689 CA ILE A 61 6.025 -5.908 -2.478 1.00 0.00 C ATOM 690 C ILE A 61 7.081 -6.857 -3.009 1.00 0.00 C ATOM 691 O ILE A 61 8.093 -7.095 -2.381 1.00 0.00 O ATOM 692 CB ILE A 61 4.959 -6.669 -1.728 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.299 -7.654 -2.696 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.938 -5.669 -1.188 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.139 -8.935 -2.757 1.00 0.00 C ATOM 0 H ILE A 61 4.292 -5.293 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 61 6.524 -5.178 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 61 5.383 -7.225 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.286 -7.884 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.218 -7.210 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.160 -6.202 -0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.435 -4.968 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.490 -5.122 -2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.675 -9.642 -3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.143 -8.695 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.197 -9.380 -1.764 1.00 0.00 H new ATOM 707 N ASN A 62 6.873 -7.374 -4.189 1.00 0.00 N ATOM 708 CA ASN A 62 7.892 -8.272 -4.775 1.00 0.00 C ATOM 709 C ASN A 62 9.267 -7.624 -4.607 1.00 0.00 C ATOM 710 O ASN A 62 10.280 -8.288 -4.668 1.00 0.00 O ATOM 711 CB ASN A 62 7.521 -8.398 -6.252 1.00 0.00 C ATOM 712 CG ASN A 62 7.821 -9.817 -6.736 1.00 0.00 C ATOM 713 OD1 ASN A 62 7.455 -10.780 -6.093 1.00 0.00 O ATOM 714 ND2 ASN A 62 8.475 -9.989 -7.850 1.00 0.00 N ATOM 0 H ASN A 62 6.047 -7.212 -4.764 1.00 0.00 H new ATOM 0 HA ASN A 62 7.926 -9.252 -4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.464 -8.171 -6.393 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.084 -7.675 -6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.679 -10.932 -8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.783 -9.181 -8.391 1.00 0.00 H new ATOM 721 N ILE A 63 9.310 -6.325 -4.387 1.00 0.00 N ATOM 722 CA ILE A 63 10.614 -5.643 -4.200 1.00 0.00 C ATOM 723 C ILE A 63 11.459 -6.375 -3.150 1.00 0.00 C ATOM 724 O ILE A 63 11.968 -7.451 -3.388 1.00 0.00 O ATOM 725 CB ILE A 63 10.242 -4.233 -3.739 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.142 -4.288 -2.655 1.00 0.00 C ATOM 727 CG2 ILE A 63 9.760 -3.422 -4.945 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.535 -2.904 -2.465 1.00 0.00 C ATOM 0 H ILE A 63 8.492 -5.718 -4.331 1.00 0.00 H new ATOM 0 HA ILE A 63 11.217 -5.627 -5.108 1.00 0.00 H new ATOM 0 HB ILE A 63 11.119 -3.754 -3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.368 -4.998 -2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.563 -4.643 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.493 -2.415 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.556 -3.367 -5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.887 -3.906 -5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.760 -2.948 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.312 -2.205 -2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.098 -2.566 -3.405 1.00 0.00 H new ATOM 740 N LYS A 64 11.616 -5.808 -1.991 1.00 0.00 N ATOM 741 CA LYS A 64 12.421 -6.485 -0.940 1.00 0.00 C ATOM 742 C LYS A 64 12.016 -7.957 -0.865 1.00 0.00 C ATOM 743 O LYS A 64 12.785 -8.807 -0.462 1.00 0.00 O ATOM 744 CB LYS A 64 12.070 -5.760 0.360 1.00 0.00 C ATOM 745 CG LYS A 64 12.738 -6.471 1.539 1.00 0.00 C ATOM 746 CD LYS A 64 14.215 -6.076 1.602 1.00 0.00 C ATOM 747 CE LYS A 64 15.084 -7.334 1.520 1.00 0.00 C ATOM 748 NZ LYS A 64 16.475 -6.859 1.763 1.00 0.00 N ATOM 0 H LYS A 64 11.222 -4.905 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 64 13.492 -6.450 -1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.403 -4.723 0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.989 -5.742 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.239 -6.202 2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.644 -7.551 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.457 -5.400 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.420 -5.539 2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.783 -8.071 2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.995 -7.812 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.130 -7.666 1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.737 -6.164 1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.531 -6.415 2.702 1.00 0.00 H new ATOM 762 N GLY A 65 10.807 -8.262 -1.258 1.00 0.00 N ATOM 763 CA GLY A 65 10.341 -9.676 -1.216 1.00 0.00 C ATOM 764 C GLY A 65 9.179 -9.800 -0.232 1.00 0.00 C ATOM 765 O GLY A 65 8.954 -10.845 0.344 1.00 0.00 O ATOM 0 H GLY A 65 10.123 -7.591 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.026 -9.996 -2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.159 -10.331 -0.914 1.00 0.00 H new ATOM 769 N ILE A 66 8.440 -8.742 -0.025 1.00 0.00 N ATOM 770 CA ILE A 66 7.303 -8.817 0.931 1.00 0.00 C ATOM 771 C ILE A 66 6.053 -9.387 0.246 1.00 0.00 C ATOM 772 O ILE A 66 6.126 -10.303 -0.550 1.00 0.00 O ATOM 773 CB ILE A 66 7.030 -7.380 1.402 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.305 -6.530 1.372 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.504 -7.428 2.834 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.274 -5.604 0.153 1.00 0.00 C ATOM 0 H ILE A 66 8.575 -7.836 -0.474 1.00 0.00 H new ATOM 0 HA ILE A 66 7.546 -9.473 1.767 1.00 0.00 H new ATOM 0 HB ILE A 66 6.300 -6.928 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.384 -5.942 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.183 -7.174 1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.305 -6.415 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.582 -8.009 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.248 -7.895 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.181 -5.000 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.215 -6.202 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.404 -4.950 0.215 1.00 0.00 H new ATOM 788 N SER A 67 4.909 -8.838 0.567 1.00 0.00 N ATOM 789 CA SER A 67 3.615 -9.300 -0.019 1.00 0.00 C ATOM 790 C SER A 67 2.493 -8.556 0.699 1.00 0.00 C ATOM 791 O SER A 67 2.601 -7.370 0.972 1.00 0.00 O ATOM 792 CB SER A 67 3.542 -10.801 0.275 1.00 0.00 C ATOM 793 OG SER A 67 2.875 -11.459 -0.795 1.00 0.00 O ATOM 0 H SER A 67 4.817 -8.068 1.229 1.00 0.00 H new ATOM 0 HA SER A 67 3.531 -9.114 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.546 -11.208 0.398 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.011 -10.974 1.211 1.00 0.00 H new ATOM 0 HG SER A 67 2.829 -12.420 -0.610 1.00 0.00 H new ATOM 799 N GLU A 68 1.438 -9.231 1.054 1.00 0.00 N ATOM 800 CA GLU A 68 0.360 -8.535 1.800 1.00 0.00 C ATOM 801 C GLU A 68 0.974 -7.909 3.055 1.00 0.00 C ATOM 802 O GLU A 68 0.397 -7.039 3.677 1.00 0.00 O ATOM 803 CB GLU A 68 -0.644 -9.627 2.175 1.00 0.00 C ATOM 804 CG GLU A 68 -1.640 -9.825 1.030 1.00 0.00 C ATOM 805 CD GLU A 68 -3.041 -10.041 1.606 1.00 0.00 C ATOM 806 OE1 GLU A 68 -3.189 -9.924 2.811 1.00 0.00 O ATOM 807 OE2 GLU A 68 -3.941 -10.321 0.832 1.00 0.00 O ATOM 0 H GLU A 68 1.277 -10.220 0.863 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.122 -7.744 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.121 -10.561 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.173 -9.351 3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.635 -8.954 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.348 -10.682 0.424 1.00 0.00 H new ATOM 814 N ALA A 69 2.150 -8.358 3.430 1.00 0.00 N ATOM 815 CA ALA A 69 2.821 -7.810 4.641 1.00 0.00 C ATOM 816 C ALA A 69 2.604 -6.302 4.744 1.00 0.00 C ATOM 817 O ALA A 69 1.743 -5.834 5.466 1.00 0.00 O ATOM 818 CB ALA A 69 4.303 -8.119 4.432 1.00 0.00 C ATOM 0 H ALA A 69 2.672 -9.085 2.942 1.00 0.00 H new ATOM 0 HA ALA A 69 2.428 -8.245 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.875 -7.748 5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.441 -9.197 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.651 -7.633 3.520 1.00 0.00 H new ATOM 824 N LYS A 70 3.371 -5.533 4.024 1.00 0.00 N ATOM 825 CA LYS A 70 3.201 -4.059 4.086 1.00 0.00 C ATOM 826 C LYS A 70 2.131 -3.612 3.089 1.00 0.00 C ATOM 827 O LYS A 70 1.299 -2.781 3.393 1.00 0.00 O ATOM 828 CB LYS A 70 4.573 -3.488 3.721 1.00 0.00 C ATOM 829 CG LYS A 70 5.670 -4.319 4.396 1.00 0.00 C ATOM 830 CD LYS A 70 5.301 -4.567 5.863 1.00 0.00 C ATOM 831 CE LYS A 70 6.308 -5.534 6.492 1.00 0.00 C ATOM 832 NZ LYS A 70 5.777 -5.804 7.857 1.00 0.00 N ATOM 0 H LYS A 70 4.106 -5.862 3.398 1.00 0.00 H new ATOM 0 HA LYS A 70 2.873 -3.715 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.707 -3.500 2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.642 -2.448 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.792 -5.269 3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.625 -3.797 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.296 -3.625 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.295 -4.980 5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.390 -6.453 5.911 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.304 -5.094 6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.413 -6.460 8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.716 -4.912 8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.830 -6.228 7.784 1.00 0.00 H new ATOM 846 N ALA A 71 2.127 -4.158 1.902 1.00 0.00 N ATOM 847 CA ALA A 71 1.085 -3.739 0.920 1.00 0.00 C ATOM 848 C ALA A 71 -0.292 -3.775 1.580 1.00 0.00 C ATOM 849 O ALA A 71 -0.953 -2.766 1.724 1.00 0.00 O ATOM 850 CB ALA A 71 1.150 -4.761 -0.209 1.00 0.00 C ATOM 0 H ALA A 71 2.787 -4.863 1.574 1.00 0.00 H new ATOM 0 HA ALA A 71 1.252 -2.725 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.408 -4.513 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.144 -4.747 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.944 -5.755 0.188 1.00 0.00 H new ATOM 856 N ASP A 72 -0.721 -4.935 1.987 1.00 0.00 N ATOM 857 CA ASP A 72 -2.055 -5.046 2.643 1.00 0.00 C ATOM 858 C ASP A 72 -2.109 -4.132 3.867 1.00 0.00 C ATOM 859 O ASP A 72 -3.083 -3.442 4.093 1.00 0.00 O ATOM 860 CB ASP A 72 -2.182 -6.513 3.060 1.00 0.00 C ATOM 861 CG ASP A 72 -3.658 -6.854 3.267 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.299 -7.233 2.300 1.00 0.00 O ATOM 863 OD2 ASP A 72 -4.124 -6.732 4.389 1.00 0.00 O ATOM 0 H ASP A 72 -0.207 -5.811 1.895 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.867 -4.747 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.752 -7.159 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.623 -6.691 3.979 1.00 0.00 H new ATOM 868 N LYS A 73 -1.069 -4.113 4.657 1.00 0.00 N ATOM 869 CA LYS A 73 -1.079 -3.229 5.856 1.00 0.00 C ATOM 870 C LYS A 73 -1.601 -1.847 5.462 1.00 0.00 C ATOM 871 O LYS A 73 -2.240 -1.169 6.238 1.00 0.00 O ATOM 872 CB LYS A 73 0.378 -3.149 6.314 1.00 0.00 C ATOM 873 CG LYS A 73 0.534 -2.013 7.328 1.00 0.00 C ATOM 874 CD LYS A 73 -0.540 -2.138 8.412 1.00 0.00 C ATOM 875 CE LYS A 73 -0.386 -3.477 9.136 1.00 0.00 C ATOM 876 NZ LYS A 73 0.160 -3.128 10.477 1.00 0.00 N ATOM 0 H LYS A 73 -0.222 -4.665 4.526 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.722 -3.607 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.682 -4.095 6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.030 -2.978 5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.526 -2.049 7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.447 -1.050 6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.451 -1.317 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.532 -2.067 7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.343 -3.992 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.288 -4.143 8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.575 -3.975 10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.893 -2.397 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.606 -2.767 11.081 1.00 0.00 H new ATOM 890 N ILE A 74 -1.344 -1.428 4.252 1.00 0.00 N ATOM 891 CA ILE A 74 -1.838 -0.093 3.811 1.00 0.00 C ATOM 892 C ILE A 74 -3.281 -0.211 3.322 1.00 0.00 C ATOM 893 O ILE A 74 -4.188 0.357 3.894 1.00 0.00 O ATOM 894 CB ILE A 74 -0.907 0.319 2.669 1.00 0.00 C ATOM 895 CG1 ILE A 74 0.369 0.927 3.247 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.594 1.360 1.779 1.00 0.00 C ATOM 897 CD1 ILE A 74 1.408 1.049 2.136 1.00 0.00 C ATOM 0 H ILE A 74 -0.816 -1.950 3.553 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.834 0.642 4.616 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.666 -0.563 2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.159 1.907 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.752 0.302 4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.923 1.646 0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.507 0.936 1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.842 2.240 2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.323 1.482 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.623 0.061 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.021 1.691 1.345 1.00 0.00 H new ATOM 909 N LEU A 75 -3.500 -0.943 2.269 1.00 0.00 N ATOM 910 CA LEU A 75 -4.886 -1.094 1.751 1.00 0.00 C ATOM 911 C LEU A 75 -5.830 -1.459 2.898 1.00 0.00 C ATOM 912 O LEU A 75 -7.021 -1.226 2.835 1.00 0.00 O ATOM 913 CB LEU A 75 -4.795 -2.226 0.726 1.00 0.00 C ATOM 914 CG LEU A 75 -6.188 -2.777 0.427 1.00 0.00 C ATOM 915 CD1 LEU A 75 -6.221 -3.307 -1.007 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.503 -3.920 1.395 1.00 0.00 C ATOM 0 H LEU A 75 -2.781 -1.443 1.745 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.276 -0.179 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.336 -1.860 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.155 -3.022 1.107 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.928 -1.985 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.213 -3.702 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.991 -2.497 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.482 -4.100 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.497 -4.314 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.765 -4.713 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.472 -3.548 2.419 1.00 0.00 H new ATOM 928 N ALA A 76 -5.305 -2.017 3.953 1.00 0.00 N ATOM 929 CA ALA A 76 -6.169 -2.381 5.110 1.00 0.00 C ATOM 930 C ALA A 76 -6.306 -1.175 6.041 1.00 0.00 C ATOM 931 O ALA A 76 -7.385 -0.652 6.245 1.00 0.00 O ATOM 932 CB ALA A 76 -5.438 -3.525 5.812 1.00 0.00 C ATOM 0 H ALA A 76 -4.315 -2.237 4.064 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.174 -2.676 4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.015 -3.849 6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.321 -4.360 5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.456 -3.183 6.138 1.00 0.00 H new ATOM 938 N GLU A 77 -5.216 -0.720 6.594 1.00 0.00 N ATOM 939 CA GLU A 77 -5.280 0.460 7.499 1.00 0.00 C ATOM 940 C GLU A 77 -5.749 1.689 6.715 1.00 0.00 C ATOM 941 O GLU A 77 -6.274 2.629 7.273 1.00 0.00 O ATOM 942 CB GLU A 77 -3.849 0.660 8.001 1.00 0.00 C ATOM 943 CG GLU A 77 -3.593 -0.256 9.200 1.00 0.00 C ATOM 944 CD GLU A 77 -4.092 0.423 10.477 1.00 0.00 C ATOM 945 OE1 GLU A 77 -3.505 1.421 10.862 1.00 0.00 O ATOM 946 OE2 GLU A 77 -5.051 -0.067 11.049 1.00 0.00 O ATOM 0 H GLU A 77 -4.285 -1.114 6.458 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.979 0.314 8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.139 0.439 7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.695 1.701 8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.103 -1.209 9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.528 -0.474 9.284 1.00 0.00 H new ATOM 953 N ALA A 78 -5.566 1.687 5.421 1.00 0.00 N ATOM 954 CA ALA A 78 -6.003 2.855 4.606 1.00 0.00 C ATOM 955 C ALA A 78 -7.529 2.879 4.503 1.00 0.00 C ATOM 956 O ALA A 78 -8.166 3.867 4.809 1.00 0.00 O ATOM 957 CB ALA A 78 -5.371 2.638 3.229 1.00 0.00 C ATOM 0 H ALA A 78 -5.133 0.928 4.895 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.699 3.805 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.647 3.460 2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.286 2.601 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.729 1.698 2.808 1.00 0.00 H new ATOM 963 N ALA A 79 -8.120 1.797 4.080 1.00 0.00 N ATOM 964 CA ALA A 79 -9.604 1.758 3.962 1.00 0.00 C ATOM 965 C ALA A 79 -10.253 2.047 5.319 1.00 0.00 C ATOM 966 O ALA A 79 -11.407 2.417 5.397 1.00 0.00 O ATOM 967 CB ALA A 79 -9.924 0.334 3.506 1.00 0.00 C ATOM 0 H ALA A 79 -7.640 0.938 3.811 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.983 2.506 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.002 0.221 3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.438 0.140 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.560 -0.376 4.248 1.00 0.00 H new ATOM 973 N LYS A 80 -9.523 1.877 6.388 1.00 0.00 N ATOM 974 CA LYS A 80 -10.110 2.138 7.735 1.00 0.00 C ATOM 975 C LYS A 80 -9.730 3.537 8.235 1.00 0.00 C ATOM 976 O LYS A 80 -10.245 4.005 9.230 1.00 0.00 O ATOM 977 CB LYS A 80 -9.512 1.062 8.641 1.00 0.00 C ATOM 978 CG LYS A 80 -10.489 0.757 9.780 1.00 0.00 C ATOM 979 CD LYS A 80 -11.525 -0.263 9.306 1.00 0.00 C ATOM 980 CE LYS A 80 -12.930 0.318 9.480 1.00 0.00 C ATOM 981 NZ LYS A 80 -13.792 -0.463 8.548 1.00 0.00 N ATOM 0 H LYS A 80 -8.550 1.570 6.388 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.199 2.103 7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.312 0.157 8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.558 1.400 9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.948 0.367 10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.986 1.672 10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.351 -0.515 8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.429 -1.187 9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.273 0.219 10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.950 1.381 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.772 -0.120 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.447 -0.344 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.760 -1.470 8.807 1.00 0.00 H new ATOM 995 N LEU A 81 -8.838 4.210 7.560 1.00 0.00 N ATOM 996 CA LEU A 81 -8.443 5.576 8.017 1.00 0.00 C ATOM 997 C LEU A 81 -8.697 6.609 6.914 1.00 0.00 C ATOM 998 O LEU A 81 -9.032 7.746 7.183 1.00 0.00 O ATOM 999 CB LEU A 81 -6.949 5.478 8.324 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.698 5.890 9.776 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -7.407 4.911 10.715 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -5.193 5.868 10.060 1.00 0.00 C ATOM 0 H LEU A 81 -8.368 3.878 6.718 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.019 5.897 8.885 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.599 4.459 8.158 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.385 6.122 7.649 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.085 6.896 9.940 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.228 5.205 11.749 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.478 4.925 10.514 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.020 3.905 10.551 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.014 6.161 11.094 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.806 4.862 9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.686 6.565 9.392 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.536 6.230 5.676 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.767 7.201 4.567 1.00 0.00 C ATOM 1016 C VAL A 82 -9.814 6.661 3.589 1.00 0.00 C ATOM 1017 O VAL A 82 -9.548 6.514 2.412 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.411 7.342 3.878 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -6.413 7.983 4.844 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -6.902 5.957 3.470 1.00 0.00 C ATOM 0 H VAL A 82 -8.256 5.294 5.384 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.143 8.157 4.931 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.516 7.969 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.445 8.084 4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.774 8.968 5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.308 7.354 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.934 6.055 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.796 5.332 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.613 5.496 2.784 1.00 0.00 H new ATOM 1030 N PRO A 83 -10.976 6.386 4.113 1.00 0.00 N ATOM 1031 CA PRO A 83 -12.082 5.858 3.279 1.00 0.00 C ATOM 1032 C PRO A 83 -12.675 6.973 2.410 1.00 0.00 C ATOM 1033 O PRO A 83 -13.397 6.721 1.466 1.00 0.00 O ATOM 1034 CB PRO A 83 -13.100 5.368 4.305 1.00 0.00 C ATOM 1035 CG PRO A 83 -12.826 6.168 5.540 1.00 0.00 C ATOM 1036 CD PRO A 83 -11.365 6.538 5.518 1.00 0.00 C ATOM 0 HA PRO A 83 -11.765 5.074 2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.120 5.523 3.953 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.987 4.300 4.494 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.449 7.062 5.565 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.063 5.590 6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.208 7.559 5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.779 5.886 6.166 1.00 0.00 H new ATOM 1044 N MET A 84 -12.376 8.204 2.723 1.00 0.00 N ATOM 1045 CA MET A 84 -12.923 9.333 1.915 1.00 0.00 C ATOM 1046 C MET A 84 -11.795 10.023 1.142 1.00 0.00 C ATOM 1047 O MET A 84 -11.845 10.151 -0.065 1.00 0.00 O ATOM 1048 CB MET A 84 -13.536 10.290 2.937 1.00 0.00 C ATOM 1049 CG MET A 84 -13.991 11.567 2.229 1.00 0.00 C ATOM 1050 SD MET A 84 -15.163 11.145 0.915 1.00 0.00 S ATOM 1051 CE MET A 84 -15.054 12.703 0.003 1.00 0.00 C ATOM 0 H MET A 84 -11.777 8.478 3.502 1.00 0.00 H new ATOM 0 HA MET A 84 -13.655 8.999 1.179 1.00 0.00 H new ATOM 0 HB2 MET A 84 -14.382 9.815 3.434 1.00 0.00 H new ATOM 0 HB3 MET A 84 -12.806 10.530 3.710 1.00 0.00 H new ATOM 0 HG2 MET A 84 -14.458 12.245 2.944 1.00 0.00 H new ATOM 0 HG3 MET A 84 -13.131 12.089 1.810 1.00 0.00 H new ATOM 0 HE1 MET A 84 -15.710 12.662 -0.866 1.00 0.00 H new ATOM 0 HE2 MET A 84 -15.359 13.525 0.650 1.00 0.00 H new ATOM 0 HE3 MET A 84 -14.027 12.861 -0.325 1.00 0.00 H new ATOM 1061 N GLY A 85 -10.778 10.468 1.828 1.00 0.00 N ATOM 1062 CA GLY A 85 -9.650 11.148 1.132 1.00 0.00 C ATOM 1063 C GLY A 85 -8.641 11.655 2.165 1.00 0.00 C ATOM 1064 O GLY A 85 -7.671 10.956 2.410 1.00 0.00 O ATOM 0 H GLY A 85 -10.680 10.390 2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.164 10.457 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.025 11.980 0.536 1.00 0.00 H new TER 1068 GLY A 85