USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 628 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 Single : A 22 MET CE :methyl -137:sc= -5.3! (180deg=-10.4!) USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= 0.0226 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.642 K(o=0.64,f=-2.8!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -147:sc= 0.785 (180deg=-0.277!) USER MOD Single : A 33 GLN : amide:sc= -4.22! K(o=-4.2!,f=-3.4) USER MOD Single : A 36 HIS : no HD1:sc= -3.88! K(o=-3.9!,f=-1.6) USER MOD Single : A 46 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-1.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -11.4! C(o=-11!,f=-8!) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= 0.549 (180deg=0.382) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 82 ASN : amide:sc= -0.0569 X(o=-0.057,f=-0.37) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 165:sc= -3.69! USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 19 2.017 12.461 1.550 1.00 0.00 N ATOM 26 CA GLU A 19 1.979 11.908 0.170 1.00 0.00 C ATOM 27 C GLU A 19 0.655 11.184 -0.088 1.00 0.00 C ATOM 28 O GLU A 19 0.021 11.376 -1.106 1.00 0.00 O ATOM 29 CB GLU A 19 3.149 10.928 0.109 1.00 0.00 C ATOM 30 CG GLU A 19 4.464 11.707 0.126 1.00 0.00 C ATOM 31 CD GLU A 19 4.820 12.140 -1.298 1.00 0.00 C ATOM 32 OE1 GLU A 19 3.922 12.194 -2.122 1.00 0.00 O ATOM 33 OE2 GLU A 19 5.985 12.409 -1.542 1.00 0.00 O ATOM 0 HA GLU A 19 2.056 12.689 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.108 10.243 0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.084 10.322 -0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.373 12.581 0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.260 11.088 0.539 1.00 0.00 H new ATOM 40 N PHE A 20 0.240 10.342 0.817 1.00 0.00 N ATOM 41 CA PHE A 20 -1.034 9.596 0.612 1.00 0.00 C ATOM 42 C PHE A 20 -2.131 10.108 1.556 1.00 0.00 C ATOM 43 O PHE A 20 -1.891 10.943 2.405 1.00 0.00 O ATOM 44 CB PHE A 20 -0.668 8.144 0.909 1.00 0.00 C ATOM 45 CG PHE A 20 0.311 7.672 -0.143 1.00 0.00 C ATOM 46 CD1 PHE A 20 1.690 7.867 0.037 1.00 0.00 C ATOM 47 CD2 PHE A 20 -0.160 7.055 -1.310 1.00 0.00 C ATOM 48 CE1 PHE A 20 2.591 7.441 -0.948 1.00 0.00 C ATOM 49 CE2 PHE A 20 0.742 6.629 -2.291 1.00 0.00 C ATOM 50 CZ PHE A 20 2.117 6.823 -2.110 1.00 0.00 C ATOM 0 H PHE A 20 0.727 10.138 1.689 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.437 9.720 -0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.227 8.060 1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.561 7.519 0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.056 8.345 0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.220 6.908 -1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.652 7.590 -0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.378 6.150 -3.188 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.812 6.495 -2.868 1.00 0.00 H new ATOM 60 N ARG A 21 -3.340 9.633 1.391 1.00 0.00 N ATOM 61 CA ARG A 21 -4.463 10.110 2.253 1.00 0.00 C ATOM 62 C ARG A 21 -4.419 9.493 3.653 1.00 0.00 C ATOM 63 O ARG A 21 -4.360 10.190 4.648 1.00 0.00 O ATOM 64 CB ARG A 21 -5.731 9.651 1.538 1.00 0.00 C ATOM 65 CG ARG A 21 -6.156 10.715 0.536 1.00 0.00 C ATOM 66 CD ARG A 21 -5.802 10.242 -0.867 1.00 0.00 C ATOM 67 NE ARG A 21 -6.804 10.893 -1.757 1.00 0.00 N ATOM 68 CZ ARG A 21 -7.139 10.331 -2.886 1.00 0.00 C ATOM 69 NH1 ARG A 21 -6.274 10.264 -3.860 1.00 0.00 N ATOM 70 NH2 ARG A 21 -8.337 9.839 -3.042 1.00 0.00 N ATOM 0 H ARG A 21 -3.598 8.934 0.695 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.410 11.190 2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.552 8.705 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.528 9.477 2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.228 10.898 0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.655 11.658 0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.787 10.532 -1.137 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.854 9.156 -0.942 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.229 11.779 -1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.338 10.650 -3.738 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.534 9.825 -4.743 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.014 9.893 -2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.597 9.400 -3.925 1.00 0.00 H new ATOM 84 N MET A 22 -4.485 8.194 3.740 1.00 0.00 N ATOM 85 CA MET A 22 -4.490 7.533 5.078 1.00 0.00 C ATOM 86 C MET A 22 -3.082 7.448 5.666 1.00 0.00 C ATOM 87 O MET A 22 -2.095 7.631 4.982 1.00 0.00 O ATOM 88 CB MET A 22 -5.048 6.135 4.819 1.00 0.00 C ATOM 89 CG MET A 22 -6.401 6.254 4.115 1.00 0.00 C ATOM 90 SD MET A 22 -7.085 4.603 3.838 1.00 0.00 S ATOM 91 CE MET A 22 -7.117 4.669 2.031 1.00 0.00 C ATOM 0 H MET A 22 -4.536 7.560 2.943 1.00 0.00 H new ATOM 0 HA MET A 22 -5.083 8.093 5.801 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.354 5.562 4.204 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.160 5.596 5.760 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.087 6.846 4.720 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.284 6.775 3.165 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.057 4.252 1.668 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.029 5.705 1.703 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.285 4.090 1.631 1.00 0.00 H new ATOM 101 N GLU A 23 -2.990 7.172 6.940 1.00 0.00 N ATOM 102 CA GLU A 23 -1.655 7.073 7.591 1.00 0.00 C ATOM 103 C GLU A 23 -1.017 5.716 7.291 1.00 0.00 C ATOM 104 O GLU A 23 0.161 5.519 7.502 1.00 0.00 O ATOM 105 CB GLU A 23 -1.929 7.221 9.088 1.00 0.00 C ATOM 106 CG GLU A 23 -0.623 7.041 9.865 1.00 0.00 C ATOM 107 CD GLU A 23 -0.538 8.093 10.972 1.00 0.00 C ATOM 108 OE1 GLU A 23 -1.410 8.098 11.826 1.00 0.00 O ATOM 109 OE2 GLU A 23 0.398 8.875 10.947 1.00 0.00 O ATOM 0 H GLU A 23 -3.785 7.011 7.558 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.963 7.833 7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.356 8.202 9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.661 6.480 9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.579 6.041 10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.229 7.137 9.192 1.00 0.00 H new ATOM 116 N LYS A 24 -1.773 4.777 6.789 1.00 0.00 N ATOM 117 CA LYS A 24 -1.171 3.452 6.472 1.00 0.00 C ATOM 118 C LYS A 24 -0.281 3.603 5.234 1.00 0.00 C ATOM 119 O LYS A 24 0.881 3.243 5.243 1.00 0.00 O ATOM 120 CB LYS A 24 -2.362 2.500 6.243 1.00 0.00 C ATOM 121 CG LYS A 24 -2.610 2.249 4.748 1.00 0.00 C ATOM 122 CD LYS A 24 -3.504 1.014 4.580 1.00 0.00 C ATOM 123 CE LYS A 24 -4.673 1.078 5.567 1.00 0.00 C ATOM 124 NZ LYS A 24 -5.353 -0.241 5.441 1.00 0.00 N ATOM 0 H LYS A 24 -2.769 4.868 6.587 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.536 3.057 7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.171 1.551 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.259 2.924 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.085 3.120 4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.662 2.098 4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.881 0.964 3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.923 0.108 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.322 1.246 6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.351 1.897 5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.957 -0.401 6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.938 -0.249 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.639 -0.995 5.381 1.00 0.00 H new ATOM 138 N LEU A 25 -0.809 4.162 4.177 1.00 0.00 N ATOM 139 CA LEU A 25 0.023 4.363 2.961 1.00 0.00 C ATOM 140 C LEU A 25 1.158 5.321 3.303 1.00 0.00 C ATOM 141 O LEU A 25 2.304 5.068 3.011 1.00 0.00 O ATOM 142 CB LEU A 25 -0.910 4.976 1.917 1.00 0.00 C ATOM 143 CG LEU A 25 -2.119 4.063 1.686 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.776 4.430 0.358 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.674 2.598 1.633 1.00 0.00 C ATOM 0 H LEU A 25 -1.774 4.485 4.106 1.00 0.00 H new ATOM 0 HA LEU A 25 0.463 3.438 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.245 5.958 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.372 5.124 0.980 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.825 4.194 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.637 3.784 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.103 5.469 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.058 4.299 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.542 1.960 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.964 2.463 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.199 2.328 2.576 1.00 0.00 H new ATOM 157 N ASN A 26 0.850 6.411 3.951 1.00 0.00 N ATOM 158 CA ASN A 26 1.927 7.360 4.336 1.00 0.00 C ATOM 159 C ASN A 26 3.023 6.584 5.058 1.00 0.00 C ATOM 160 O ASN A 26 4.111 6.408 4.550 1.00 0.00 O ATOM 161 CB ASN A 26 1.266 8.355 5.289 1.00 0.00 C ATOM 162 CG ASN A 26 0.694 9.523 4.491 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.349 10.052 3.616 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.510 9.949 4.756 1.00 0.00 N ATOM 0 H ASN A 26 -0.094 6.682 4.228 1.00 0.00 H new ATOM 0 HA ASN A 26 2.374 7.867 3.481 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.473 7.863 5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.994 8.718 6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.903 10.728 4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.058 9.503 5.491 1.00 0.00 H new ATOM 171 N GLN A 27 2.725 6.104 6.236 1.00 0.00 N ATOM 172 CA GLN A 27 3.722 5.316 7.011 1.00 0.00 C ATOM 173 C GLN A 27 4.487 4.381 6.075 1.00 0.00 C ATOM 174 O GLN A 27 5.684 4.215 6.188 1.00 0.00 O ATOM 175 CB GLN A 27 2.889 4.511 8.012 1.00 0.00 C ATOM 176 CG GLN A 27 2.771 5.291 9.322 1.00 0.00 C ATOM 177 CD GLN A 27 2.307 4.351 10.438 1.00 0.00 C ATOM 178 OE1 GLN A 27 1.243 3.770 10.356 1.00 0.00 O ATOM 179 NE2 GLN A 27 3.066 4.177 11.484 1.00 0.00 N ATOM 0 H GLN A 27 1.824 6.227 6.697 1.00 0.00 H new ATOM 0 HA GLN A 27 4.460 5.946 7.507 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.898 4.316 7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.355 3.543 8.194 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.733 5.734 9.582 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.063 6.112 9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.959 4.665 11.553 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.767 3.553 12.233 1.00 0.00 H new ATOM 188 N LEU A 28 3.804 3.771 5.144 1.00 0.00 N ATOM 189 CA LEU A 28 4.500 2.856 4.198 1.00 0.00 C ATOM 190 C LEU A 28 5.507 3.652 3.368 1.00 0.00 C ATOM 191 O LEU A 28 6.693 3.600 3.604 1.00 0.00 O ATOM 192 CB LEU A 28 3.396 2.277 3.303 1.00 0.00 C ATOM 193 CG LEU A 28 3.283 0.772 3.540 1.00 0.00 C ATOM 194 CD1 LEU A 28 2.136 0.496 4.512 1.00 0.00 C ATOM 195 CD2 LEU A 28 3.003 0.066 2.212 1.00 0.00 C ATOM 0 H LEU A 28 2.799 3.867 4.999 1.00 0.00 H new ATOM 0 HA LEU A 28 5.050 2.066 4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.445 2.762 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.622 2.475 2.255 1.00 0.00 H new ATOM 0 HG LEU A 28 4.217 0.399 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.054 -0.577 4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.332 1.000 5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.203 0.869 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.922 -1.008 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.069 0.438 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.818 0.264 1.516 1.00 0.00 H new ATOM 207 N TRP A 29 5.031 4.395 2.410 1.00 0.00 N ATOM 208 CA TRP A 29 5.931 5.218 1.555 1.00 0.00 C ATOM 209 C TRP A 29 7.087 5.806 2.383 1.00 0.00 C ATOM 210 O TRP A 29 8.252 5.513 2.146 1.00 0.00 O ATOM 211 CB TRP A 29 4.998 6.312 1.043 1.00 0.00 C ATOM 212 CG TRP A 29 5.758 7.348 0.294 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.739 8.665 0.581 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.625 7.189 -0.862 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.547 9.331 -0.321 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.117 8.463 -1.233 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.032 6.073 -1.615 1.00 0.00 C ATOM 218 CZ2 TRP A 29 7.982 8.624 -2.316 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.901 6.231 -2.704 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.375 7.504 -3.054 1.00 0.00 C ATOM 0 H TRP A 29 4.040 4.468 2.179 1.00 0.00 H new ATOM 0 HA TRP A 29 6.410 4.655 0.754 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.238 5.874 0.396 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.476 6.773 1.882 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.183 9.125 1.385 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.703 10.339 -0.314 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.673 5.089 -1.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.345 9.606 -2.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.207 5.368 -3.276 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.044 7.619 -3.894 1.00 0.00 H new ATOM 231 N GLU A 30 6.784 6.628 3.351 1.00 0.00 N ATOM 232 CA GLU A 30 7.866 7.218 4.178 1.00 0.00 C ATOM 233 C GLU A 30 8.817 6.119 4.657 1.00 0.00 C ATOM 234 O GLU A 30 10.023 6.268 4.607 1.00 0.00 O ATOM 235 CB GLU A 30 7.159 7.887 5.355 1.00 0.00 C ATOM 236 CG GLU A 30 6.154 6.924 5.985 1.00 0.00 C ATOM 237 CD GLU A 30 6.685 6.431 7.334 1.00 0.00 C ATOM 238 OE1 GLU A 30 7.612 5.638 7.332 1.00 0.00 O ATOM 239 OE2 GLU A 30 6.153 6.855 8.347 1.00 0.00 O ATOM 0 H GLU A 30 5.837 6.913 3.601 1.00 0.00 H new ATOM 0 HA GLU A 30 8.469 7.935 3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.892 8.197 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.647 8.788 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.195 7.423 6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.981 6.078 5.320 1.00 0.00 H new ATOM 246 N LYS A 31 8.299 5.008 5.103 1.00 0.00 N ATOM 247 CA LYS A 31 9.205 3.920 5.552 1.00 0.00 C ATOM 248 C LYS A 31 10.143 3.570 4.403 1.00 0.00 C ATOM 249 O LYS A 31 11.343 3.517 4.563 1.00 0.00 O ATOM 250 CB LYS A 31 8.297 2.742 5.896 1.00 0.00 C ATOM 251 CG LYS A 31 9.079 1.731 6.735 1.00 0.00 C ATOM 252 CD LYS A 31 8.111 0.954 7.625 1.00 0.00 C ATOM 253 CE LYS A 31 7.820 -0.403 6.988 1.00 0.00 C ATOM 254 NZ LYS A 31 7.747 -1.356 8.131 1.00 0.00 N ATOM 0 H LYS A 31 7.301 4.810 5.175 1.00 0.00 H new ATOM 0 HA LYS A 31 9.815 4.198 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.423 3.090 6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.932 2.270 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.623 1.046 6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.820 2.245 7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.540 0.818 8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.185 1.515 7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.884 -0.384 6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.605 -0.687 6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.103 -2.286 7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.328 -1.000 8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.759 -1.448 8.444 1.00 0.00 H new ATOM 268 N ALA A 32 9.603 3.358 3.231 1.00 0.00 N ATOM 269 CA ALA A 32 10.462 3.046 2.068 1.00 0.00 C ATOM 270 C ALA A 32 11.616 4.039 2.044 1.00 0.00 C ATOM 271 O ALA A 32 12.767 3.674 1.909 1.00 0.00 O ATOM 272 CB ALA A 32 9.565 3.232 0.844 1.00 0.00 C ATOM 0 H ALA A 32 8.602 3.389 3.036 1.00 0.00 H new ATOM 0 HA ALA A 32 10.880 2.040 2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.134 3.018 -0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.716 2.551 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.204 4.260 0.810 1.00 0.00 H new ATOM 278 N GLN A 33 11.315 5.301 2.197 1.00 0.00 N ATOM 279 CA GLN A 33 12.404 6.318 2.207 1.00 0.00 C ATOM 280 C GLN A 33 13.409 5.969 3.306 1.00 0.00 C ATOM 281 O GLN A 33 14.605 6.054 3.120 1.00 0.00 O ATOM 282 CB GLN A 33 11.714 7.649 2.510 1.00 0.00 C ATOM 283 CG GLN A 33 10.799 8.019 1.344 1.00 0.00 C ATOM 284 CD GLN A 33 9.750 9.026 1.810 1.00 0.00 C ATOM 285 OE1 GLN A 33 10.044 9.921 2.577 1.00 0.00 O ATOM 286 NE2 GLN A 33 8.529 8.913 1.370 1.00 0.00 N ATOM 0 H GLN A 33 10.371 5.668 2.314 1.00 0.00 H new ATOM 0 HA GLN A 33 12.948 6.360 1.264 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.136 7.571 3.431 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.458 8.430 2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.386 8.442 0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.311 7.125 0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.287 8.160 0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.815 9.578 1.669 1.00 0.00 H new ATOM 295 N ARG A 34 12.925 5.567 4.450 1.00 0.00 N ATOM 296 CA ARG A 34 13.844 5.201 5.566 1.00 0.00 C ATOM 297 C ARG A 34 14.653 3.950 5.200 1.00 0.00 C ATOM 298 O ARG A 34 15.735 3.732 5.706 1.00 0.00 O ATOM 299 CB ARG A 34 12.926 4.916 6.754 1.00 0.00 C ATOM 300 CG ARG A 34 13.770 4.619 7.994 1.00 0.00 C ATOM 301 CD ARG A 34 13.365 5.568 9.124 1.00 0.00 C ATOM 302 NE ARG A 34 12.743 4.693 10.157 1.00 0.00 N ATOM 303 CZ ARG A 34 11.679 5.094 10.797 1.00 0.00 C ATOM 304 NH1 ARG A 34 11.789 5.956 11.771 1.00 0.00 N ATOM 305 NH2 ARG A 34 10.506 4.633 10.462 1.00 0.00 N ATOM 0 H ARG A 34 11.931 5.476 4.660 1.00 0.00 H new ATOM 0 HA ARG A 34 14.563 5.990 5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.278 5.772 6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.278 4.068 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.628 3.584 8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.829 4.740 7.764 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.230 6.098 9.524 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.663 6.324 8.772 1.00 0.00 H new ATOM 0 HE ARG A 34 13.149 3.780 10.364 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.707 6.316 12.032 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.957 6.269 12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.421 3.960 9.700 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.673 4.946 10.962 1.00 0.00 H new ATOM 319 N LEU A 35 14.140 3.134 4.317 1.00 0.00 N ATOM 320 CA LEU A 35 14.882 1.903 3.914 1.00 0.00 C ATOM 321 C LEU A 35 16.009 2.266 2.946 1.00 0.00 C ATOM 322 O LEU A 35 16.718 1.411 2.456 1.00 0.00 O ATOM 323 CB LEU A 35 13.846 1.020 3.221 1.00 0.00 C ATOM 324 CG LEU A 35 13.075 0.219 4.270 1.00 0.00 C ATOM 325 CD1 LEU A 35 11.839 1.006 4.702 1.00 0.00 C ATOM 326 CD2 LEU A 35 12.640 -1.118 3.669 1.00 0.00 C ATOM 0 H LEU A 35 13.239 3.267 3.857 1.00 0.00 H new ATOM 0 HA LEU A 35 15.339 1.399 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.159 1.635 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.338 0.344 2.521 1.00 0.00 H new ATOM 0 HG LEU A 35 13.714 0.040 5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.288 0.436 5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.146 1.961 5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.200 1.183 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.090 -1.691 4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.999 -0.938 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.520 -1.680 3.357 1.00 0.00 H new ATOM 338 N HIS A 36 16.167 3.533 2.671 1.00 0.00 N ATOM 339 CA HIS A 36 17.241 3.985 1.740 1.00 0.00 C ATOM 340 C HIS A 36 17.001 3.456 0.322 1.00 0.00 C ATOM 341 O HIS A 36 17.921 3.338 -0.463 1.00 0.00 O ATOM 342 CB HIS A 36 18.546 3.425 2.315 1.00 0.00 C ATOM 343 CG HIS A 36 18.713 3.894 3.736 1.00 0.00 C ATOM 344 ND1 HIS A 36 19.544 4.952 4.071 1.00 0.00 N ATOM 345 CD2 HIS A 36 18.169 3.457 4.918 1.00 0.00 C ATOM 346 CE1 HIS A 36 19.474 5.115 5.405 1.00 0.00 C ATOM 347 NE2 HIS A 36 18.651 4.229 5.971 1.00 0.00 N ATOM 0 H HIS A 36 15.591 4.282 3.056 1.00 0.00 H new ATOM 0 HA HIS A 36 17.268 5.072 1.661 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.533 2.336 2.280 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.392 3.753 1.711 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.472 2.638 5.016 1.00 0.00 H new ATOM 0 HE1 HIS A 36 20.018 5.871 5.952 1.00 0.00 H new ATOM 0 HE2 HIS A 36 18.424 4.138 6.961 1.00 0.00 H new ATOM 355 N LEU A 37 15.778 3.149 -0.027 1.00 0.00 N ATOM 356 CA LEU A 37 15.518 2.648 -1.408 1.00 0.00 C ATOM 357 C LEU A 37 16.081 3.635 -2.432 1.00 0.00 C ATOM 358 O LEU A 37 16.324 4.783 -2.119 1.00 0.00 O ATOM 359 CB LEU A 37 13.994 2.602 -1.548 1.00 0.00 C ATOM 360 CG LEU A 37 13.417 1.407 -0.789 1.00 0.00 C ATOM 361 CD1 LEU A 37 11.894 1.444 -0.899 1.00 0.00 C ATOM 362 CD2 LEU A 37 13.927 0.103 -1.405 1.00 0.00 C ATOM 0 H LEU A 37 14.959 3.222 0.576 1.00 0.00 H new ATOM 0 HA LEU A 37 15.981 1.676 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.561 3.526 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.723 2.535 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 37 13.725 1.457 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.470 0.596 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.520 2.372 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.604 1.390 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.512 -0.744 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.618 0.049 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.015 0.074 -1.347 1.00 0.00 H new ATOM 374 N PRO A 38 16.235 3.160 -3.633 1.00 0.00 N ATOM 375 CA PRO A 38 16.727 4.014 -4.731 1.00 0.00 C ATOM 376 C PRO A 38 15.549 4.827 -5.279 1.00 0.00 C ATOM 377 O PRO A 38 14.428 4.648 -4.848 1.00 0.00 O ATOM 378 CB PRO A 38 17.234 3.012 -5.762 1.00 0.00 C ATOM 379 CG PRO A 38 16.474 1.747 -5.500 1.00 0.00 C ATOM 380 CD PRO A 38 15.974 1.793 -4.074 1.00 0.00 C ATOM 0 HA PRO A 38 17.501 4.724 -4.440 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.060 3.371 -6.776 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.307 2.853 -5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.639 1.653 -6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.115 0.878 -5.652 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.912 1.555 -4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.495 1.069 -3.448 1.00 0.00 H new ATOM 388 N PRO A 39 15.830 5.695 -6.208 1.00 0.00 N ATOM 389 CA PRO A 39 14.757 6.531 -6.798 1.00 0.00 C ATOM 390 C PRO A 39 13.824 5.676 -7.662 1.00 0.00 C ATOM 391 O PRO A 39 12.629 5.896 -7.705 1.00 0.00 O ATOM 392 CB PRO A 39 15.518 7.548 -7.641 1.00 0.00 C ATOM 393 CG PRO A 39 16.821 6.886 -7.958 1.00 0.00 C ATOM 394 CD PRO A 39 17.143 5.983 -6.795 1.00 0.00 C ATOM 0 HA PRO A 39 14.119 7.003 -6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.970 7.797 -8.550 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.670 8.479 -7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.750 6.314 -8.883 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.607 7.628 -8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.645 5.072 -7.122 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.804 6.472 -6.079 1.00 0.00 H new ATOM 402 N VAL A 40 14.355 4.702 -8.347 1.00 0.00 N ATOM 403 CA VAL A 40 13.489 3.842 -9.202 1.00 0.00 C ATOM 404 C VAL A 40 12.502 3.049 -8.344 1.00 0.00 C ATOM 405 O VAL A 40 11.335 2.957 -8.660 1.00 0.00 O ATOM 406 CB VAL A 40 14.443 2.895 -9.923 1.00 0.00 C ATOM 407 CG1 VAL A 40 14.990 1.863 -8.934 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.685 2.180 -11.044 1.00 0.00 C ATOM 0 H VAL A 40 15.347 4.465 -8.352 1.00 0.00 H new ATOM 0 HA VAL A 40 12.897 4.435 -9.900 1.00 0.00 H new ATOM 0 HB VAL A 40 15.274 3.462 -10.344 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.671 1.188 -9.452 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.525 2.374 -8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.164 1.291 -8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.360 1.501 -11.564 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.857 1.613 -10.619 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.297 2.916 -11.748 1.00 0.00 H new ATOM 418 N ARG A 41 12.956 2.469 -7.268 1.00 0.00 N ATOM 419 CA ARG A 41 12.038 1.683 -6.406 1.00 0.00 C ATOM 420 C ARG A 41 11.089 2.612 -5.660 1.00 0.00 C ATOM 421 O ARG A 41 9.983 2.244 -5.324 1.00 0.00 O ATOM 422 CB ARG A 41 12.956 0.968 -5.434 1.00 0.00 C ATOM 423 CG ARG A 41 12.907 -0.527 -5.716 1.00 0.00 C ATOM 424 CD ARG A 41 13.187 -1.277 -4.426 1.00 0.00 C ATOM 425 NE ARG A 41 14.636 -1.092 -4.172 1.00 0.00 N ATOM 426 CZ ARG A 41 15.473 -2.062 -4.415 1.00 0.00 C ATOM 427 NH1 ARG A 41 15.396 -2.726 -5.536 1.00 0.00 N ATOM 428 NH2 ARG A 41 16.386 -2.371 -3.533 1.00 0.00 N ATOM 0 H ARG A 41 13.925 2.507 -6.950 1.00 0.00 H new ATOM 0 HA ARG A 41 11.416 0.992 -6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.976 1.338 -5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.647 1.168 -4.408 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.929 -0.805 -6.110 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.643 -0.792 -6.475 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.590 -0.882 -3.604 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.936 -2.333 -4.523 1.00 0.00 H new ATOM 0 HE ARG A 41 14.979 -0.204 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.681 -2.486 -6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.051 -3.485 -5.725 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.443 -1.854 -2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.041 -3.129 -3.722 1.00 0.00 H new ATOM 442 N LEU A 42 11.507 3.816 -5.402 1.00 0.00 N ATOM 443 CA LEU A 42 10.614 4.763 -4.690 1.00 0.00 C ATOM 444 C LEU A 42 9.588 5.305 -5.680 1.00 0.00 C ATOM 445 O LEU A 42 8.492 5.680 -5.317 1.00 0.00 O ATOM 446 CB LEU A 42 11.524 5.873 -4.183 1.00 0.00 C ATOM 447 CG LEU A 42 12.400 5.332 -3.054 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.656 6.195 -2.944 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.619 5.386 -1.734 1.00 0.00 C ATOM 0 H LEU A 42 12.425 4.184 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 42 10.069 4.301 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.147 6.247 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.928 6.713 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 42 12.681 4.300 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.288 5.817 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.205 6.160 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.372 7.225 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.242 5.001 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.342 6.418 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.718 4.778 -1.819 1.00 0.00 H new ATOM 461 N ALA A 43 9.931 5.329 -6.940 1.00 0.00 N ATOM 462 CA ALA A 43 8.962 5.819 -7.960 1.00 0.00 C ATOM 463 C ALA A 43 7.930 4.720 -8.222 1.00 0.00 C ATOM 464 O ALA A 43 6.737 4.942 -8.161 1.00 0.00 O ATOM 465 CB ALA A 43 9.795 6.099 -9.209 1.00 0.00 C ATOM 0 H ALA A 43 10.836 5.032 -7.305 1.00 0.00 H new ATOM 0 HA ALA A 43 8.423 6.712 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.146 6.464 -10.005 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.550 6.852 -8.982 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.285 5.181 -9.533 1.00 0.00 H new ATOM 471 N GLU A 44 8.388 3.523 -8.481 1.00 0.00 N ATOM 472 CA GLU A 44 7.442 2.397 -8.709 1.00 0.00 C ATOM 473 C GLU A 44 6.659 2.158 -7.421 1.00 0.00 C ATOM 474 O GLU A 44 5.489 1.833 -7.435 1.00 0.00 O ATOM 475 CB GLU A 44 8.325 1.190 -9.030 1.00 0.00 C ATOM 476 CG GLU A 44 8.825 1.282 -10.473 1.00 0.00 C ATOM 477 CD GLU A 44 8.725 -0.094 -11.136 1.00 0.00 C ATOM 478 OE1 GLU A 44 8.251 -1.010 -10.486 1.00 0.00 O ATOM 479 OE2 GLU A 44 9.124 -0.207 -12.284 1.00 0.00 O ATOM 0 H GLU A 44 9.376 3.279 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 44 6.729 2.590 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.171 1.154 -8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.761 0.268 -8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.233 2.009 -11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.857 1.632 -10.490 1.00 0.00 H new ATOM 486 N LEU A 45 7.306 2.337 -6.300 1.00 0.00 N ATOM 487 CA LEU A 45 6.616 2.146 -4.998 1.00 0.00 C ATOM 488 C LEU A 45 5.535 3.209 -4.847 1.00 0.00 C ATOM 489 O LEU A 45 4.433 2.925 -4.449 1.00 0.00 O ATOM 490 CB LEU A 45 7.700 2.328 -3.928 1.00 0.00 C ATOM 491 CG LEU A 45 7.047 2.663 -2.580 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.209 1.476 -2.092 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.137 2.966 -1.554 1.00 0.00 C ATOM 0 H LEU A 45 8.287 2.608 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 45 6.139 1.169 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.293 1.418 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.383 3.126 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 45 6.399 3.531 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.750 1.724 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.430 1.256 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.850 0.603 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.678 3.205 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.782 2.095 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.730 3.815 -1.893 1.00 0.00 H new ATOM 505 N HIS A 46 5.844 4.434 -5.164 1.00 0.00 N ATOM 506 CA HIS A 46 4.823 5.507 -5.037 1.00 0.00 C ATOM 507 C HIS A 46 3.647 5.213 -5.964 1.00 0.00 C ATOM 508 O HIS A 46 2.504 5.416 -5.613 1.00 0.00 O ATOM 509 CB HIS A 46 5.527 6.796 -5.455 1.00 0.00 C ATOM 510 CG HIS A 46 4.734 7.968 -4.949 1.00 0.00 C ATOM 511 ND1 HIS A 46 3.603 8.431 -5.602 1.00 0.00 N ATOM 512 CD2 HIS A 46 4.884 8.769 -3.844 1.00 0.00 C ATOM 513 CE1 HIS A 46 3.118 9.465 -4.891 1.00 0.00 C ATOM 514 NE2 HIS A 46 3.862 9.714 -3.808 1.00 0.00 N ATOM 0 H HIS A 46 6.756 4.737 -5.504 1.00 0.00 H new ATOM 0 HA HIS A 46 4.428 5.581 -4.024 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.539 6.822 -5.050 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.617 6.842 -6.540 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.675 8.680 -3.114 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.235 10.026 -5.162 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.713 10.440 -3.107 1.00 0.00 H new ATOM 522 N ALA A 47 3.916 4.728 -7.145 1.00 0.00 N ATOM 523 CA ALA A 47 2.807 4.412 -8.087 1.00 0.00 C ATOM 524 C ALA A 47 1.956 3.276 -7.512 1.00 0.00 C ATOM 525 O ALA A 47 0.743 3.288 -7.595 1.00 0.00 O ATOM 526 CB ALA A 47 3.495 3.969 -9.378 1.00 0.00 C ATOM 0 H ALA A 47 4.854 4.537 -7.497 1.00 0.00 H new ATOM 0 HA ALA A 47 2.145 5.261 -8.256 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.741 3.718 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.121 4.779 -9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.114 3.094 -9.179 1.00 0.00 H new ATOM 532 N ASP A 48 2.588 2.299 -6.920 1.00 0.00 N ATOM 533 CA ASP A 48 1.823 1.167 -6.329 1.00 0.00 C ATOM 534 C ASP A 48 1.023 1.654 -5.117 1.00 0.00 C ATOM 535 O ASP A 48 -0.076 1.203 -4.869 1.00 0.00 O ATOM 536 CB ASP A 48 2.881 0.150 -5.906 1.00 0.00 C ATOM 537 CG ASP A 48 2.738 -1.121 -6.745 1.00 0.00 C ATOM 538 OD1 ASP A 48 1.731 -1.253 -7.421 1.00 0.00 O ATOM 539 OD2 ASP A 48 3.638 -1.943 -6.696 1.00 0.00 O ATOM 0 H ASP A 48 3.601 2.237 -6.821 1.00 0.00 H new ATOM 0 HA ASP A 48 1.108 0.736 -7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.878 0.572 -6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.770 -0.087 -4.848 1.00 0.00 H new ATOM 544 N LEU A 49 1.558 2.583 -4.368 1.00 0.00 N ATOM 545 CA LEU A 49 0.817 3.108 -3.192 1.00 0.00 C ATOM 546 C LEU A 49 -0.320 3.980 -3.683 1.00 0.00 C ATOM 547 O LEU A 49 -1.356 4.078 -3.060 1.00 0.00 O ATOM 548 CB LEU A 49 1.824 3.957 -2.423 1.00 0.00 C ATOM 549 CG LEU A 49 2.948 3.076 -1.900 1.00 0.00 C ATOM 550 CD1 LEU A 49 3.992 3.953 -1.210 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.381 2.069 -0.905 1.00 0.00 C ATOM 0 H LEU A 49 2.477 2.998 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 49 0.402 2.315 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.230 4.733 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.329 4.462 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 49 3.413 2.540 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.801 3.327 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.393 4.672 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.528 4.486 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.185 1.437 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.918 2.600 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.634 1.449 -1.400 1.00 0.00 H new ATOM 563 N LYS A 50 -0.134 4.611 -4.806 1.00 0.00 N ATOM 564 CA LYS A 50 -1.208 5.470 -5.348 1.00 0.00 C ATOM 565 C LYS A 50 -2.362 4.577 -5.782 1.00 0.00 C ATOM 566 O LYS A 50 -3.505 4.827 -5.470 1.00 0.00 O ATOM 567 CB LYS A 50 -0.596 6.187 -6.550 1.00 0.00 C ATOM 568 CG LYS A 50 0.252 7.372 -6.075 1.00 0.00 C ATOM 569 CD LYS A 50 -0.549 8.228 -5.088 1.00 0.00 C ATOM 570 CE LYS A 50 -1.961 8.455 -5.635 1.00 0.00 C ATOM 571 NZ LYS A 50 -2.283 9.870 -5.304 1.00 0.00 N ATOM 0 H LYS A 50 0.716 4.566 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.588 6.189 -4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.020 5.494 -7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.385 6.537 -7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.163 7.010 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.557 7.977 -6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.599 7.733 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.050 9.185 -4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.999 8.283 -6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.676 7.771 -5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.237 10.099 -5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.246 10.002 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.591 10.499 -5.759 1.00 0.00 H new ATOM 585 N ILE A 51 -2.063 3.516 -6.481 1.00 0.00 N ATOM 586 CA ILE A 51 -3.142 2.589 -6.906 1.00 0.00 C ATOM 587 C ILE A 51 -3.797 1.994 -5.660 1.00 0.00 C ATOM 588 O ILE A 51 -5.003 1.858 -5.578 1.00 0.00 O ATOM 589 CB ILE A 51 -2.437 1.502 -7.717 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.879 2.110 -9.006 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.431 0.395 -8.065 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.956 2.962 -9.678 1.00 0.00 C ATOM 0 H ILE A 51 -1.122 3.254 -6.774 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.921 3.077 -7.492 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.621 1.083 -7.128 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.004 2.721 -8.783 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.552 1.319 -9.681 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.926 -0.379 -8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.828 -0.039 -7.147 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.249 0.812 -8.653 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.558 3.395 -10.596 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.818 2.338 -9.915 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.261 3.761 -9.003 1.00 0.00 H new ATOM 604 N GLN A 52 -3.006 1.652 -4.678 1.00 0.00 N ATOM 605 CA GLN A 52 -3.577 1.081 -3.430 1.00 0.00 C ATOM 606 C GLN A 52 -4.343 2.168 -2.680 1.00 0.00 C ATOM 607 O GLN A 52 -5.250 1.894 -1.918 1.00 0.00 O ATOM 608 CB GLN A 52 -2.362 0.618 -2.620 1.00 0.00 C ATOM 609 CG GLN A 52 -2.834 -0.107 -1.362 1.00 0.00 C ATOM 610 CD GLN A 52 -3.816 -1.208 -1.753 1.00 0.00 C ATOM 611 OE1 GLN A 52 -3.728 -1.762 -2.831 1.00 0.00 O ATOM 612 NE2 GLN A 52 -4.755 -1.551 -0.919 1.00 0.00 N ATOM 0 H GLN A 52 -1.990 1.744 -4.689 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.273 0.263 -3.616 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.741 -0.045 -3.223 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.745 1.474 -2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.982 -0.535 -0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.311 0.597 -0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.828 -1.086 -0.014 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.417 -2.285 -1.170 1.00 0.00 H new ATOM 621 N GLU A 53 -3.995 3.404 -2.905 1.00 0.00 N ATOM 622 CA GLU A 53 -4.708 4.508 -2.217 1.00 0.00 C ATOM 623 C GLU A 53 -6.095 4.668 -2.836 1.00 0.00 C ATOM 624 O GLU A 53 -7.099 4.507 -2.176 1.00 0.00 O ATOM 625 CB GLU A 53 -3.845 5.746 -2.460 1.00 0.00 C ATOM 626 CG GLU A 53 -4.059 6.748 -1.325 1.00 0.00 C ATOM 627 CD GLU A 53 -3.946 8.172 -1.875 1.00 0.00 C ATOM 628 OE1 GLU A 53 -4.726 8.511 -2.749 1.00 0.00 O ATOM 629 OE2 GLU A 53 -3.081 8.896 -1.414 1.00 0.00 O ATOM 0 H GLU A 53 -3.248 3.694 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.850 4.331 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.794 5.464 -2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.105 6.202 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.039 6.598 -0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.319 6.589 -0.541 1.00 0.00 H new ATOM 636 N ARG A 54 -6.157 4.959 -4.106 1.00 0.00 N ATOM 637 CA ARG A 54 -7.482 5.103 -4.772 1.00 0.00 C ATOM 638 C ARG A 54 -8.304 3.836 -4.541 1.00 0.00 C ATOM 639 O ARG A 54 -9.506 3.883 -4.365 1.00 0.00 O ATOM 640 CB ARG A 54 -7.163 5.278 -6.260 1.00 0.00 C ATOM 641 CG ARG A 54 -8.429 5.706 -7.007 1.00 0.00 C ATOM 642 CD ARG A 54 -8.171 7.021 -7.746 1.00 0.00 C ATOM 643 NE ARG A 54 -7.811 6.620 -9.134 1.00 0.00 N ATOM 644 CZ ARG A 54 -7.591 7.532 -10.041 1.00 0.00 C ATOM 645 NH1 ARG A 54 -8.595 8.128 -10.624 1.00 0.00 N ATOM 646 NH2 ARG A 54 -6.367 7.848 -10.366 1.00 0.00 N ATOM 0 H ARG A 54 -5.348 5.103 -4.711 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.061 5.942 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.381 6.026 -6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.782 4.344 -6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.725 4.932 -7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.254 5.828 -6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.055 7.659 -7.736 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.365 7.586 -7.277 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.736 5.632 -9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.552 7.881 -10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.423 8.841 -11.333 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.582 7.382 -9.911 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.195 8.561 -11.075 1.00 0.00 H new ATOM 660 N ASP A 55 -7.658 2.699 -4.530 1.00 0.00 N ATOM 661 CA ASP A 55 -8.394 1.424 -4.304 1.00 0.00 C ATOM 662 C ASP A 55 -8.791 1.293 -2.828 1.00 0.00 C ATOM 663 O ASP A 55 -9.767 0.650 -2.497 1.00 0.00 O ATOM 664 CB ASP A 55 -7.401 0.324 -4.687 1.00 0.00 C ATOM 665 CG ASP A 55 -7.316 0.221 -6.211 1.00 0.00 C ATOM 666 OD1 ASP A 55 -6.840 1.161 -6.825 1.00 0.00 O ATOM 667 OD2 ASP A 55 -7.734 -0.797 -6.740 1.00 0.00 O ATOM 0 H ASP A 55 -6.652 2.600 -4.668 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.314 1.370 -4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.418 0.546 -4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.718 -0.630 -4.265 1.00 0.00 H new ATOM 672 N GLU A 56 -8.037 1.887 -1.939 1.00 0.00 N ATOM 673 CA GLU A 56 -8.375 1.776 -0.488 1.00 0.00 C ATOM 674 C GLU A 56 -9.492 2.749 -0.101 1.00 0.00 C ATOM 675 O GLU A 56 -10.278 2.471 0.780 1.00 0.00 O ATOM 676 CB GLU A 56 -7.085 2.117 0.259 1.00 0.00 C ATOM 677 CG GLU A 56 -6.235 0.857 0.422 1.00 0.00 C ATOM 678 CD GLU A 56 -6.618 0.148 1.722 1.00 0.00 C ATOM 679 OE1 GLU A 56 -6.795 0.832 2.716 1.00 0.00 O ATOM 680 OE2 GLU A 56 -6.729 -1.067 1.700 1.00 0.00 O ATOM 0 H GLU A 56 -7.207 2.441 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.739 0.778 -0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.526 2.876 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.320 2.538 1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.387 0.190 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.177 1.119 0.436 1.00 0.00 H new ATOM 687 N LEU A 57 -9.591 3.873 -0.755 1.00 0.00 N ATOM 688 CA LEU A 57 -10.689 4.815 -0.410 1.00 0.00 C ATOM 689 C LEU A 57 -11.929 4.364 -1.163 1.00 0.00 C ATOM 690 O LEU A 57 -13.005 4.245 -0.612 1.00 0.00 O ATOM 691 CB LEU A 57 -10.247 6.197 -0.896 1.00 0.00 C ATOM 692 CG LEU A 57 -8.779 6.437 -0.549 1.00 0.00 C ATOM 693 CD1 LEU A 57 -8.042 6.851 -1.819 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.676 7.555 0.491 1.00 0.00 C ATOM 0 H LEU A 57 -8.968 4.176 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.905 4.843 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.390 6.274 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.867 6.967 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.337 5.528 -0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.991 7.027 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.123 6.058 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.484 7.765 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.628 7.726 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.107 8.470 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.219 7.266 1.391 1.00 0.00 H new ATOM 706 N ALA A 58 -11.766 4.074 -2.424 1.00 0.00 N ATOM 707 CA ALA A 58 -12.918 3.589 -3.219 1.00 0.00 C ATOM 708 C ALA A 58 -13.461 2.330 -2.549 1.00 0.00 C ATOM 709 O ALA A 58 -14.650 2.197 -2.292 1.00 0.00 O ATOM 710 CB ALA A 58 -12.344 3.268 -4.600 1.00 0.00 C ATOM 0 H ALA A 58 -10.886 4.153 -2.933 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.731 4.311 -3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.140 2.901 -5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.910 4.170 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.573 2.504 -4.505 1.00 0.00 H new ATOM 716 N TRP A 59 -12.594 1.411 -2.225 1.00 0.00 N ATOM 717 CA TRP A 59 -13.073 0.194 -1.543 1.00 0.00 C ATOM 718 C TRP A 59 -13.667 0.603 -0.200 1.00 0.00 C ATOM 719 O TRP A 59 -14.748 0.198 0.161 1.00 0.00 O ATOM 720 CB TRP A 59 -11.846 -0.690 -1.335 1.00 0.00 C ATOM 721 CG TRP A 59 -12.190 -1.705 -0.304 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.857 -2.852 -0.543 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.939 -1.660 1.127 1.00 0.00 C ATOM 724 NE1 TRP A 59 -13.031 -3.524 0.649 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.475 -2.832 1.711 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.298 -0.728 1.968 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.381 -3.071 3.081 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.203 -0.967 3.348 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.743 -2.136 3.902 1.00 0.00 C ATOM 0 H TRP A 59 -11.591 1.455 -2.403 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.835 -0.336 -2.115 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.561 -1.175 -2.269 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.994 -0.092 -1.013 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.199 -3.190 -1.510 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.510 -4.420 0.737 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.878 0.174 1.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.798 -3.972 3.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.712 -0.247 3.986 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.666 -2.315 4.964 1.00 0.00 H new ATOM 740 N LYS A 60 -12.969 1.416 0.541 1.00 0.00 N ATOM 741 CA LYS A 60 -13.516 1.852 1.847 1.00 0.00 C ATOM 742 C LYS A 60 -14.955 2.300 1.632 1.00 0.00 C ATOM 743 O LYS A 60 -15.808 2.121 2.477 1.00 0.00 O ATOM 744 CB LYS A 60 -12.621 3.002 2.300 1.00 0.00 C ATOM 745 CG LYS A 60 -11.573 2.452 3.269 1.00 0.00 C ATOM 746 CD LYS A 60 -10.345 3.358 3.273 1.00 0.00 C ATOM 747 CE LYS A 60 -10.391 4.256 4.509 1.00 0.00 C ATOM 748 NZ LYS A 60 -9.650 3.504 5.562 1.00 0.00 N ATOM 0 H LYS A 60 -12.052 1.793 0.299 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.527 1.067 2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.136 3.465 1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.216 3.776 2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.992 2.388 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.289 1.441 2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.435 2.758 3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.322 3.965 2.368 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.925 5.222 4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.418 4.454 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.889 3.890 6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.916 2.499 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.627 3.598 5.400 1.00 0.00 H new ATOM 762 N LYS A 61 -15.246 2.829 0.473 1.00 0.00 N ATOM 763 CA LYS A 61 -16.647 3.218 0.184 1.00 0.00 C ATOM 764 C LYS A 61 -17.446 1.927 0.102 1.00 0.00 C ATOM 765 O LYS A 61 -18.483 1.775 0.716 1.00 0.00 O ATOM 766 CB LYS A 61 -16.607 3.930 -1.168 1.00 0.00 C ATOM 767 CG LYS A 61 -17.889 4.743 -1.351 1.00 0.00 C ATOM 768 CD LYS A 61 -18.257 4.792 -2.834 1.00 0.00 C ATOM 769 CE LYS A 61 -17.826 6.137 -3.422 1.00 0.00 C ATOM 770 NZ LYS A 61 -17.878 5.945 -4.898 1.00 0.00 N ATOM 0 H LYS A 61 -14.577 3.005 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.096 3.869 0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.737 4.585 -1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -16.507 3.201 -1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.701 4.294 -0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.749 5.753 -0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.769 3.976 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.331 4.656 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -18.493 6.939 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.822 6.408 -3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.595 6.826 -5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.229 5.180 -5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.847 5.695 -5.182 1.00 0.00 H new ATOM 784 N LEU A 62 -16.932 0.976 -0.633 1.00 0.00 N ATOM 785 CA LEU A 62 -17.617 -0.347 -0.736 1.00 0.00 C ATOM 786 C LEU A 62 -17.895 -0.891 0.673 1.00 0.00 C ATOM 787 O LEU A 62 -19.022 -0.973 1.112 1.00 0.00 O ATOM 788 CB LEU A 62 -16.609 -1.255 -1.436 1.00 0.00 C ATOM 789 CG LEU A 62 -17.065 -1.551 -2.857 1.00 0.00 C ATOM 790 CD1 LEU A 62 -16.216 -0.741 -3.838 1.00 0.00 C ATOM 791 CD2 LEU A 62 -16.891 -3.048 -3.135 1.00 0.00 C ATOM 0 H LEU A 62 -16.067 1.058 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.565 -0.283 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.629 -0.778 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.500 -2.186 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 62 -18.113 -1.277 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.539 -0.950 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.335 0.322 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.168 -1.017 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -17.216 -3.269 -4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.841 -3.319 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.492 -3.621 -2.429 1.00 0.00 H new ATOM 803 N LYS A 63 -16.854 -1.266 1.369 1.00 0.00 N ATOM 804 CA LYS A 63 -16.997 -1.813 2.752 1.00 0.00 C ATOM 805 C LYS A 63 -18.031 -1.021 3.558 1.00 0.00 C ATOM 806 O LYS A 63 -18.958 -1.578 4.114 1.00 0.00 O ATOM 807 CB LYS A 63 -15.604 -1.638 3.362 1.00 0.00 C ATOM 808 CG LYS A 63 -15.571 -2.229 4.773 1.00 0.00 C ATOM 809 CD LYS A 63 -15.992 -1.158 5.781 1.00 0.00 C ATOM 810 CE LYS A 63 -15.120 -1.260 7.035 1.00 0.00 C ATOM 811 NZ LYS A 63 -14.948 0.148 7.496 1.00 0.00 N ATOM 0 H LYS A 63 -15.893 -1.215 1.031 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.340 -2.848 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.860 -2.130 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.343 -0.580 3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.241 -3.087 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.569 -2.589 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.893 -0.168 5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.042 -1.285 6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.598 -1.871 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.159 -1.723 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.360 0.163 8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.485 0.704 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.879 0.560 7.707 1.00 0.00 H new ATOM 825 N LEU A 64 -17.870 0.270 3.641 1.00 0.00 N ATOM 826 CA LEU A 64 -18.836 1.095 4.426 1.00 0.00 C ATOM 827 C LEU A 64 -20.269 0.864 3.929 1.00 0.00 C ATOM 828 O LEU A 64 -21.203 0.813 4.704 1.00 0.00 O ATOM 829 CB LEU A 64 -18.406 2.543 4.183 1.00 0.00 C ATOM 830 CG LEU A 64 -17.078 2.803 4.900 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.396 4.033 4.296 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.344 3.049 6.386 1.00 0.00 C ATOM 0 H LEU A 64 -17.112 0.791 3.200 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.830 0.839 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.298 2.728 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -19.171 3.228 4.549 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.428 1.936 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.452 4.214 4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.206 3.860 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -17.044 4.902 4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.400 3.234 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -17.995 3.915 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -17.826 2.173 6.819 1.00 0.00 H new ATOM 844 N ASP A 65 -20.446 0.723 2.644 1.00 0.00 N ATOM 845 CA ASP A 65 -21.816 0.494 2.094 1.00 0.00 C ATOM 846 C ASP A 65 -22.239 -0.962 2.311 1.00 0.00 C ATOM 847 O ASP A 65 -23.406 -1.294 2.263 1.00 0.00 O ATOM 848 CB ASP A 65 -21.698 0.801 0.600 1.00 0.00 C ATOM 849 CG ASP A 65 -22.647 1.944 0.236 1.00 0.00 C ATOM 850 OD1 ASP A 65 -23.847 1.731 0.287 1.00 0.00 O ATOM 851 OD2 ASP A 65 -22.157 3.013 -0.087 1.00 0.00 O ATOM 0 H ASP A 65 -19.701 0.756 1.948 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.566 1.117 2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.672 1.074 0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.940 -0.087 0.016 1.00 0.00 H new ATOM 856 N GLY A 66 -21.296 -1.832 2.551 1.00 0.00 N ATOM 857 CA GLY A 66 -21.637 -3.266 2.773 1.00 0.00 C ATOM 858 C GLY A 66 -21.294 -4.078 1.521 1.00 0.00 C ATOM 859 O GLY A 66 -22.087 -4.867 1.048 1.00 0.00 O ATOM 0 H GLY A 66 -20.302 -1.611 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -21.086 -3.652 3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.698 -3.366 3.004 1.00 0.00 H new ATOM 863 N LEU A 67 -20.121 -3.892 0.978 1.00 0.00 N ATOM 864 CA LEU A 67 -19.740 -4.656 -0.245 1.00 0.00 C ATOM 865 C LEU A 67 -18.784 -5.788 0.120 1.00 0.00 C ATOM 866 O LEU A 67 -19.068 -6.950 -0.091 1.00 0.00 O ATOM 867 CB LEU A 67 -19.024 -3.647 -1.146 1.00 0.00 C ATOM 868 CG LEU A 67 -20.026 -2.667 -1.792 1.00 0.00 C ATOM 869 CD1 LEU A 67 -20.423 -3.195 -3.170 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.288 -2.511 -0.932 1.00 0.00 C ATOM 0 H LEU A 67 -19.412 -3.247 1.327 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.608 -5.101 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.291 -3.090 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.475 -4.176 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.546 -1.692 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.131 -2.508 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.535 -3.278 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.886 -4.176 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.973 -1.814 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.774 -3.480 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -21.013 -2.128 0.051 1.00 0.00 H new ATOM 882 N ASP A 68 -17.645 -5.451 0.658 1.00 0.00 N ATOM 883 CA ASP A 68 -16.659 -6.499 1.033 1.00 0.00 C ATOM 884 C ASP A 68 -16.980 -7.060 2.422 1.00 0.00 C ATOM 885 O ASP A 68 -16.182 -6.978 3.335 1.00 0.00 O ATOM 886 CB ASP A 68 -15.310 -5.784 1.044 1.00 0.00 C ATOM 887 CG ASP A 68 -14.252 -6.696 1.668 1.00 0.00 C ATOM 888 OD1 ASP A 68 -13.851 -7.643 1.010 1.00 0.00 O ATOM 889 OD2 ASP A 68 -13.860 -6.432 2.792 1.00 0.00 O ATOM 0 H ASP A 68 -17.355 -4.493 0.854 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.670 -7.342 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.020 -5.516 0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.384 -4.855 1.610 1.00 0.00 H new ATOM 894 N GLU A 69 -18.142 -7.626 2.592 1.00 0.00 N ATOM 895 CA GLU A 69 -18.509 -8.187 3.923 1.00 0.00 C ATOM 896 C GLU A 69 -17.817 -9.535 4.138 1.00 0.00 C ATOM 897 O GLU A 69 -17.909 -10.129 5.194 1.00 0.00 O ATOM 898 CB GLU A 69 -20.025 -8.362 3.871 1.00 0.00 C ATOM 899 CG GLU A 69 -20.693 -6.986 3.819 1.00 0.00 C ATOM 900 CD GLU A 69 -22.104 -7.079 4.402 1.00 0.00 C ATOM 901 OE1 GLU A 69 -22.227 -7.506 5.539 1.00 0.00 O ATOM 902 OE2 GLU A 69 -23.038 -6.720 3.703 1.00 0.00 O ATOM 0 H GLU A 69 -18.853 -7.725 1.868 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.201 -7.540 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.305 -8.948 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.369 -8.913 4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -20.103 -6.263 4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.737 -6.630 2.790 1.00 0.00 H new ATOM 909 N ASP A 70 -17.123 -10.017 3.146 1.00 0.00 N ATOM 910 CA ASP A 70 -16.421 -11.324 3.293 1.00 0.00 C ATOM 911 C ASP A 70 -14.912 -11.131 3.133 1.00 0.00 C ATOM 912 O ASP A 70 -14.120 -11.847 3.713 1.00 0.00 O ATOM 913 CB ASP A 70 -16.974 -12.200 2.168 1.00 0.00 C ATOM 914 CG ASP A 70 -16.741 -13.673 2.509 1.00 0.00 C ATOM 915 OD1 ASP A 70 -15.610 -14.019 2.810 1.00 0.00 O ATOM 916 OD2 ASP A 70 -17.696 -14.430 2.461 1.00 0.00 O ATOM 0 H ASP A 70 -17.011 -9.563 2.239 1.00 0.00 H new ATOM 0 HA ASP A 70 -16.582 -11.773 4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.039 -12.010 2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.486 -11.952 1.226 1.00 0.00 H new ATOM 921 N GLY A 71 -14.508 -10.168 2.351 1.00 0.00 N ATOM 922 CA GLY A 71 -13.051 -9.927 2.155 1.00 0.00 C ATOM 923 C GLY A 71 -12.692 -10.115 0.681 1.00 0.00 C ATOM 924 O GLY A 71 -11.600 -10.531 0.348 1.00 0.00 O ATOM 0 H GLY A 71 -15.125 -9.537 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.793 -8.918 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.472 -10.615 2.771 1.00 0.00 H new ATOM 928 N GLU A 72 -13.601 -9.813 -0.206 1.00 0.00 N ATOM 929 CA GLU A 72 -13.308 -9.973 -1.660 1.00 0.00 C ATOM 930 C GLU A 72 -12.628 -8.713 -2.202 1.00 0.00 C ATOM 931 O GLU A 72 -11.462 -8.725 -2.543 1.00 0.00 O ATOM 932 CB GLU A 72 -14.673 -10.173 -2.321 1.00 0.00 C ATOM 933 CG GLU A 72 -15.130 -11.620 -2.122 1.00 0.00 C ATOM 934 CD GLU A 72 -15.597 -12.200 -3.458 1.00 0.00 C ATOM 935 OE1 GLU A 72 -16.673 -11.829 -3.898 1.00 0.00 O ATOM 936 OE2 GLU A 72 -14.871 -13.005 -4.019 1.00 0.00 O ATOM 0 H GLU A 72 -14.534 -9.463 0.013 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.635 -10.808 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.402 -9.488 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.611 -9.943 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.312 -12.218 -1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.940 -11.659 -1.394 1.00 0.00 H new ATOM 943 N LYS A 73 -13.342 -7.624 -2.279 1.00 0.00 N ATOM 944 CA LYS A 73 -12.723 -6.368 -2.792 1.00 0.00 C ATOM 945 C LYS A 73 -11.546 -5.977 -1.897 1.00 0.00 C ATOM 946 O LYS A 73 -10.502 -5.572 -2.368 1.00 0.00 O ATOM 947 CB LYS A 73 -13.831 -5.318 -2.723 1.00 0.00 C ATOM 948 CG LYS A 73 -15.003 -5.761 -3.602 1.00 0.00 C ATOM 949 CD LYS A 73 -14.604 -5.660 -5.077 1.00 0.00 C ATOM 950 CE LYS A 73 -15.737 -6.205 -5.949 1.00 0.00 C ATOM 951 NZ LYS A 73 -15.099 -7.243 -6.804 1.00 0.00 N ATOM 0 H LYS A 73 -14.323 -7.549 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.337 -6.473 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.162 -5.190 -1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.454 -4.352 -3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.285 -6.786 -3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.874 -5.136 -3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.396 -4.622 -5.339 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.689 -6.224 -5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.534 -6.631 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.184 -5.416 -6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.814 -7.664 -7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.349 -6.807 -7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.688 -7.984 -6.202 1.00 0.00 H new ATOM 965 N GLU A 74 -11.703 -6.112 -0.607 1.00 0.00 N ATOM 966 CA GLU A 74 -10.587 -5.765 0.316 1.00 0.00 C ATOM 967 C GLU A 74 -9.420 -6.729 0.086 1.00 0.00 C ATOM 968 O GLU A 74 -8.285 -6.434 0.405 1.00 0.00 O ATOM 969 CB GLU A 74 -11.165 -5.937 1.723 1.00 0.00 C ATOM 970 CG GLU A 74 -10.025 -6.056 2.738 1.00 0.00 C ATOM 971 CD GLU A 74 -9.255 -4.736 2.801 1.00 0.00 C ATOM 972 OE1 GLU A 74 -9.671 -3.865 3.547 1.00 0.00 O ATOM 973 OE2 GLU A 74 -8.262 -4.618 2.103 1.00 0.00 O ATOM 0 H GLU A 74 -12.554 -6.447 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.209 -4.754 0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.800 -5.087 1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.794 -6.826 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.425 -6.303 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.354 -6.867 2.454 1.00 0.00 H new ATOM 980 N ALA A 75 -9.693 -7.878 -0.474 1.00 0.00 N ATOM 981 CA ALA A 75 -8.601 -8.855 -0.735 1.00 0.00 C ATOM 982 C ALA A 75 -7.631 -8.272 -1.761 1.00 0.00 C ATOM 983 O ALA A 75 -6.429 -8.288 -1.576 1.00 0.00 O ATOM 984 CB ALA A 75 -9.298 -10.095 -1.298 1.00 0.00 C ATOM 0 H ALA A 75 -10.624 -8.180 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.026 -9.091 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.555 -10.862 -1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.010 -10.476 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.826 -9.831 -2.214 1.00 0.00 H new ATOM 990 N ARG A 76 -8.144 -7.737 -2.836 1.00 0.00 N ATOM 991 CA ARG A 76 -7.245 -7.137 -3.857 1.00 0.00 C ATOM 992 C ARG A 76 -6.326 -6.131 -3.172 1.00 0.00 C ATOM 993 O ARG A 76 -5.171 -5.983 -3.521 1.00 0.00 O ATOM 994 CB ARG A 76 -8.168 -6.435 -4.851 1.00 0.00 C ATOM 995 CG ARG A 76 -7.333 -5.868 -6.001 1.00 0.00 C ATOM 996 CD ARG A 76 -8.061 -4.672 -6.623 1.00 0.00 C ATOM 997 NE ARG A 76 -8.451 -5.127 -7.986 1.00 0.00 N ATOM 998 CZ ARG A 76 -9.218 -4.379 -8.731 1.00 0.00 C ATOM 999 NH1 ARG A 76 -8.830 -3.180 -9.069 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -10.372 -4.832 -9.139 1.00 0.00 N ATOM 0 H ARG A 76 -9.141 -7.691 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.619 -7.876 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.909 -7.136 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.715 -5.634 -4.354 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.353 -5.560 -5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.165 -6.637 -6.755 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.935 -4.392 -6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.414 -3.796 -6.669 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.118 -6.025 -8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.927 -2.827 -8.751 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.429 -2.595 -9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.674 -5.770 -8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.972 -4.248 -9.721 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.834 -5.446 -2.185 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.993 -4.456 -1.460 1.00 0.00 C ATOM 1016 C LEU A 77 -4.887 -5.187 -0.702 1.00 0.00 C ATOM 1017 O LEU A 77 -3.764 -4.731 -0.623 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.945 -3.757 -0.485 1.00 0.00 C ATOM 1019 CG LEU A 77 -8.018 -3.005 -1.270 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -9.017 -2.365 -0.306 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.390 -1.911 -2.133 1.00 0.00 C ATOM 0 H LEU A 77 -7.794 -5.530 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.513 -3.743 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.409 -4.490 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.390 -3.064 0.148 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.530 -3.719 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.779 -1.831 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.490 -3.141 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.495 -1.666 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.172 -1.388 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.860 -1.204 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.689 -2.360 -2.837 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.201 -6.324 -0.149 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.175 -7.102 0.601 1.00 0.00 C ATOM 1035 C ILE A 78 -3.081 -7.586 -0.356 1.00 0.00 C ATOM 1036 O ILE A 78 -1.914 -7.604 -0.020 1.00 0.00 O ATOM 1037 CB ILE A 78 -4.933 -8.291 1.190 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -5.855 -7.808 2.311 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -3.936 -9.302 1.756 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.535 -9.013 2.960 1.00 0.00 C ATOM 0 H ILE A 78 -6.127 -6.750 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.686 -6.508 1.373 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.528 -8.762 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.282 -7.254 3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.604 -7.124 1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.477 -10.150 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.278 -9.650 0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.341 -8.828 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.193 -8.673 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.120 -9.547 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.778 -9.680 3.373 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.449 -7.982 -1.545 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.424 -8.467 -2.517 1.00 0.00 C ATOM 1054 C ARG A 79 -1.565 -7.301 -3.007 1.00 0.00 C ATOM 1055 O ARG A 79 -0.361 -7.408 -3.089 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.220 -9.075 -3.674 1.00 0.00 C ATOM 1057 CG ARG A 79 -2.267 -9.813 -4.617 1.00 0.00 C ATOM 1058 CD ARG A 79 -2.258 -11.304 -4.271 1.00 0.00 C ATOM 1059 NE ARG A 79 -1.094 -11.478 -3.358 1.00 0.00 N ATOM 1060 CZ ARG A 79 -0.939 -12.598 -2.705 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -1.194 -13.736 -3.290 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -0.528 -12.579 -1.465 1.00 0.00 N ATOM 0 H ARG A 79 -4.411 -7.991 -1.885 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.746 -9.193 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.973 -9.763 -3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.750 -8.292 -4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.580 -9.671 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.261 -9.402 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.188 -11.603 -3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.153 -11.917 -5.166 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.418 -10.723 -3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.515 -13.751 -4.258 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.073 -14.610 -2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.328 -11.689 -1.007 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.407 -13.454 -0.954 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.164 -6.183 -3.323 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.350 -5.020 -3.785 1.00 0.00 C ATOM 1078 C ASN A 80 -0.389 -4.627 -2.662 1.00 0.00 C ATOM 1079 O ASN A 80 0.788 -4.394 -2.877 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.360 -3.904 -4.054 1.00 0.00 C ATOM 1081 CG ASN A 80 -2.751 -3.915 -5.534 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -2.780 -4.956 -6.160 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.055 -2.791 -6.121 1.00 0.00 N ATOM 0 H ASN A 80 -3.171 -6.025 -3.282 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.758 -5.233 -4.675 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.245 -4.042 -3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.930 -2.938 -3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.317 -2.785 -7.107 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.030 -1.918 -5.595 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.883 -4.581 -1.455 1.00 0.00 N ATOM 1091 CA LEU A 81 -0.004 -4.240 -0.308 1.00 0.00 C ATOM 1092 C LEU A 81 1.167 -5.223 -0.286 1.00 0.00 C ATOM 1093 O LEU A 81 2.303 -4.845 -0.424 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.888 -4.417 0.930 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.831 -3.154 1.791 1.00 0.00 C ATOM 1096 CD1 LEU A 81 0.622 -2.837 2.142 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -1.435 -1.981 1.015 1.00 0.00 C ATOM 0 H LEU A 81 -1.857 -4.765 -1.217 1.00 0.00 H new ATOM 0 HA LEU A 81 0.408 -3.232 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.916 -4.617 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.552 -5.278 1.508 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.398 -3.316 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.660 -1.937 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.053 -3.671 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.191 -2.676 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.395 -1.080 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.868 -1.821 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.472 -2.205 0.766 1.00 0.00 H new ATOM 1109 N ASN A 82 0.884 -6.485 -0.133 1.00 0.00 N ATOM 1110 CA ASN A 82 1.960 -7.515 -0.120 1.00 0.00 C ATOM 1111 C ASN A 82 2.911 -7.322 -1.309 1.00 0.00 C ATOM 1112 O ASN A 82 4.100 -7.549 -1.209 1.00 0.00 O ATOM 1113 CB ASN A 82 1.206 -8.839 -0.247 1.00 0.00 C ATOM 1114 CG ASN A 82 1.156 -9.536 1.112 1.00 0.00 C ATOM 1115 OD1 ASN A 82 2.153 -9.633 1.799 1.00 0.00 O ATOM 1116 ND2 ASN A 82 0.023 -10.032 1.530 1.00 0.00 N ATOM 0 H ASN A 82 -0.060 -6.852 -0.015 1.00 0.00 H new ATOM 0 HA ASN A 82 2.577 -7.465 0.777 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.195 -8.659 -0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.699 -9.481 -0.978 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.026 -10.501 2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.814 -9.950 0.952 1.00 0.00 H new ATOM 1123 N VAL A 83 2.395 -6.903 -2.430 1.00 0.00 N ATOM 1124 CA VAL A 83 3.264 -6.695 -3.623 1.00 0.00 C ATOM 1125 C VAL A 83 4.270 -5.580 -3.333 1.00 0.00 C ATOM 1126 O VAL A 83 5.452 -5.719 -3.574 1.00 0.00 O ATOM 1127 CB VAL A 83 2.302 -6.305 -4.745 1.00 0.00 C ATOM 1128 CG1 VAL A 83 3.061 -5.588 -5.862 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.648 -7.571 -5.307 1.00 0.00 C ATOM 0 H VAL A 83 1.407 -6.695 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 83 3.844 -7.578 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 83 1.539 -5.636 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.367 -5.314 -6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.530 -4.688 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.829 -6.250 -6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.960 -7.300 -6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.418 -8.235 -5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.099 -8.080 -4.514 1.00 0.00 H new ATOM 1139 N ILE A 84 3.812 -4.486 -2.793 1.00 0.00 N ATOM 1140 CA ILE A 84 4.749 -3.375 -2.458 1.00 0.00 C ATOM 1141 C ILE A 84 5.701 -3.859 -1.365 1.00 0.00 C ATOM 1142 O ILE A 84 6.904 -3.788 -1.492 1.00 0.00 O ATOM 1143 CB ILE A 84 3.848 -2.244 -1.952 1.00 0.00 C ATOM 1144 CG1 ILE A 84 3.127 -1.607 -3.138 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.687 -1.177 -1.245 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.671 -1.314 -2.764 1.00 0.00 C ATOM 0 H ILE A 84 2.832 -4.312 -2.569 1.00 0.00 H new ATOM 0 HA ILE A 84 5.357 -3.044 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 84 3.123 -2.654 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.630 -0.685 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.164 -2.275 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.036 -0.378 -0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.207 -1.625 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.417 -0.767 -1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.161 -0.860 -3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.170 -2.244 -2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.644 -0.629 -1.916 1.00 0.00 H new ATOM 1158 N LEU A 85 5.160 -4.380 -0.303 1.00 0.00 N ATOM 1159 CA LEU A 85 6.004 -4.905 0.798 1.00 0.00 C ATOM 1160 C LEU A 85 6.917 -6.003 0.254 1.00 0.00 C ATOM 1161 O LEU A 85 7.925 -6.338 0.839 1.00 0.00 O ATOM 1162 CB LEU A 85 5.000 -5.477 1.801 1.00 0.00 C ATOM 1163 CG LEU A 85 4.066 -4.360 2.257 1.00 0.00 C ATOM 1164 CD1 LEU A 85 3.159 -4.875 3.375 1.00 0.00 C ATOM 1165 CD2 LEU A 85 4.888 -3.179 2.765 1.00 0.00 C ATOM 0 H LEU A 85 4.155 -4.465 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 85 6.646 -4.150 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.428 -6.284 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.523 -5.904 2.657 1.00 0.00 H new ATOM 0 HG LEU A 85 3.453 -4.036 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.492 -4.076 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.568 -5.714 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.769 -5.203 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.218 -2.383 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.505 -3.499 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.528 -2.810 1.964 1.00 0.00 H new ATOM 1177 N ALA A 86 6.565 -6.561 -0.872 1.00 0.00 N ATOM 1178 CA ALA A 86 7.411 -7.633 -1.473 1.00 0.00 C ATOM 1179 C ALA A 86 8.493 -7.000 -2.352 1.00 0.00 C ATOM 1180 O ALA A 86 9.572 -7.534 -2.515 1.00 0.00 O ATOM 1181 CB ALA A 86 6.452 -8.465 -2.322 1.00 0.00 C ATOM 0 H ALA A 86 5.728 -6.321 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 86 7.916 -8.240 -0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.000 -9.277 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.669 -8.880 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.001 -7.833 -3.087 1.00 0.00 H new ATOM 1187 N LYS A 87 8.203 -5.860 -2.917 1.00 0.00 N ATOM 1188 CA LYS A 87 9.198 -5.172 -3.786 1.00 0.00 C ATOM 1189 C LYS A 87 10.098 -4.276 -2.939 1.00 0.00 C ATOM 1190 O LYS A 87 11.120 -3.796 -3.387 1.00 0.00 O ATOM 1191 CB LYS A 87 8.357 -4.306 -4.722 1.00 0.00 C ATOM 1192 CG LYS A 87 9.261 -3.670 -5.775 1.00 0.00 C ATOM 1193 CD LYS A 87 8.424 -2.810 -6.723 1.00 0.00 C ATOM 1194 CE LYS A 87 8.557 -3.343 -8.152 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.179 -3.287 -8.716 1.00 0.00 N ATOM 0 H LYS A 87 7.313 -5.373 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 87 9.837 -5.875 -4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.590 -4.912 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.842 -3.532 -4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.024 -3.059 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.782 -4.445 -6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.379 -2.823 -6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.756 -1.773 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.248 -2.735 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.945 -4.362 -8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.190 -3.637 -9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.545 -3.880 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.839 -2.304 -8.704 1.00 0.00 H new ATOM 1209 N TYR A 88 9.704 -4.030 -1.726 1.00 0.00 N ATOM 1210 CA TYR A 88 10.506 -3.141 -0.844 1.00 0.00 C ATOM 1211 C TYR A 88 10.700 -3.780 0.527 1.00 0.00 C ATOM 1212 O TYR A 88 11.372 -3.237 1.381 1.00 0.00 O ATOM 1213 CB TYR A 88 9.658 -1.875 -0.705 1.00 0.00 C ATOM 1214 CG TYR A 88 9.082 -1.492 -2.042 1.00 0.00 C ATOM 1215 CD1 TYR A 88 9.940 -1.164 -3.091 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.696 -1.466 -2.232 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.420 -0.808 -4.337 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.170 -1.110 -3.482 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.033 -0.782 -4.534 1.00 0.00 C ATOM 1220 OH TYR A 88 7.516 -0.425 -5.762 1.00 0.00 O ATOM 0 H TYR A 88 8.856 -4.408 -1.303 1.00 0.00 H new ATOM 0 HA TYR A 88 11.498 -2.947 -1.251 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.854 -2.043 0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.268 -1.060 -0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.009 -1.185 -2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.033 -1.719 -1.418 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.086 -0.553 -5.148 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.101 -1.089 -3.633 1.00 0.00 H new ATOM 0 HH TYR A 88 6.570 -0.679 -5.805 1.00 0.00 H new ATOM 1230 N GLY A 89 10.105 -4.917 0.756 1.00 0.00 N ATOM 1231 CA GLY A 89 10.248 -5.559 2.088 1.00 0.00 C ATOM 1232 C GLY A 89 10.021 -4.490 3.155 1.00 0.00 C ATOM 1233 O GLY A 89 10.699 -4.445 4.162 1.00 0.00 O ATOM 0 H GLY A 89 9.531 -5.425 0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.527 -6.368 2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.240 -5.999 2.194 1.00 0.00 H new ATOM 1237 N LEU A 90 9.070 -3.618 2.931 1.00 0.00 N ATOM 1238 CA LEU A 90 8.800 -2.539 3.921 1.00 0.00 C ATOM 1239 C LEU A 90 8.285 -3.150 5.229 1.00 0.00 C ATOM 1240 O LEU A 90 8.695 -2.769 6.307 1.00 0.00 O ATOM 1241 CB LEU A 90 7.726 -1.663 3.271 1.00 0.00 C ATOM 1242 CG LEU A 90 8.357 -0.741 2.220 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.386 -0.572 1.044 1.00 0.00 C ATOM 1244 CD2 LEU A 90 8.636 0.627 2.845 1.00 0.00 C ATOM 0 H LEU A 90 8.471 -3.609 2.105 1.00 0.00 H new ATOM 0 HA LEU A 90 9.693 -1.964 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.967 -2.292 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.223 -1.067 4.033 1.00 0.00 H new ATOM 0 HG LEU A 90 9.291 -1.178 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.832 0.083 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.181 -1.546 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.454 -0.133 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.084 1.283 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.701 1.063 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.321 0.510 3.685 1.00 0.00 H new