USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 460 hydrogens (2 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 109 LYS NZ :NH3+ -162:sc= 0.32 (180deg=0.139) USER MOD Set 1.2: A 110 TYR OH : rot -124:sc= 1.3 USER MOD Set 1.3: A 121 HIS : no HE2:sc= 0.928 K(o=2.6,f=-2.6) USER MOD Single : A 92 LYS NZ :NH3+ 165:sc= 0.624 (180deg=-0.274!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 97 LYS NZ :NH3+ -134:sc= -0.0389 (180deg=-0.695) USER MOD Single : A 101 GLN : amide:sc= -0.453 K(o=-0.45,f=-1.9) USER MOD Single : A 108 GLN : amide:sc= -0.445 X(o=-0.45,f=0) USER MOD Single : A 113 LYS NZ :NH3+ -161:sc= 0.512 (180deg=-0.289) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.07) USER MOD Single : A 123 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.06) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.59) USER MOD Single : A 130 CYS SG : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 136 ASN : amide:sc= 0.97 K(o=0.97,f=-0.067) USER MOD Single : A 137 HIS : no HD1:sc= -0.0481 X(o=-0.048,f=-0.15) USER MOD Single : A 139 ASN : amide:sc= 0.745 K(o=0.74,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 15.346 -0.583 -8.703 1.00 0.00 N ATOM 2 CA LEU A 90 14.873 -1.280 -7.496 1.00 0.00 C ATOM 3 C LEU A 90 13.697 -2.195 -7.854 1.00 0.00 C ATOM 4 O LEU A 90 13.454 -2.429 -9.035 1.00 0.00 O ATOM 5 CB LEU A 90 14.501 -0.268 -6.395 1.00 0.00 C ATOM 6 CG LEU A 90 13.453 0.736 -6.906 1.00 0.00 C ATOM 7 CD1 LEU A 90 12.418 0.993 -5.808 1.00 0.00 C ATOM 8 CD2 LEU A 90 14.133 2.059 -7.275 1.00 0.00 C ATOM 0 HA LEU A 90 15.675 -1.902 -7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.111 -0.797 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.394 0.266 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 90 12.964 0.323 -7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.675 1.704 -6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.927 0.056 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.915 1.402 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.385 2.765 -7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.627 2.472 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.872 1.883 -8.057 1.00 0.00 H new ATOM 22 N ILE A 91 12.987 -2.711 -6.831 1.00 0.00 N ATOM 23 CA ILE A 91 11.856 -3.630 -7.009 1.00 0.00 C ATOM 24 C ILE A 91 12.359 -4.975 -7.534 1.00 0.00 C ATOM 25 O ILE A 91 12.934 -5.054 -8.621 1.00 0.00 O ATOM 26 CB ILE A 91 10.785 -3.038 -7.954 1.00 0.00 C ATOM 27 CG1 ILE A 91 10.330 -1.644 -7.475 1.00 0.00 C ATOM 28 CG2 ILE A 91 9.579 -3.985 -8.012 1.00 0.00 C ATOM 29 CD1 ILE A 91 9.782 -1.698 -6.042 1.00 0.00 C ATOM 0 H ILE A 91 13.187 -2.498 -5.854 1.00 0.00 H new ATOM 0 HA ILE A 91 11.383 -3.780 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 91 11.221 -2.930 -8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.169 -0.950 -7.520 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.562 -1.259 -8.146 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.822 -3.570 -8.678 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.898 -4.958 -8.387 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.159 -4.101 -7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.470 -0.700 -5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.927 -2.373 -6.005 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.559 -2.059 -5.369 1.00 0.00 H new ATOM 41 N LYS A 92 12.135 -6.040 -6.757 1.00 0.00 N ATOM 42 CA LYS A 92 12.549 -7.376 -7.144 1.00 0.00 C ATOM 43 C LYS A 92 11.534 -7.954 -8.118 1.00 0.00 C ATOM 44 O LYS A 92 10.752 -8.840 -7.776 1.00 0.00 O ATOM 45 CB LYS A 92 12.693 -8.241 -5.896 1.00 0.00 C ATOM 46 CG LYS A 92 13.349 -9.581 -6.259 1.00 0.00 C ATOM 47 CD LYS A 92 13.393 -10.493 -5.029 1.00 0.00 C ATOM 48 CE LYS A 92 14.381 -9.939 -3.997 1.00 0.00 C ATOM 49 NZ LYS A 92 14.650 -10.931 -2.945 1.00 0.00 N ATOM 0 H LYS A 92 11.666 -5.993 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 92 13.517 -7.346 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.296 -7.722 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.714 -8.415 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 92 12.790 -10.064 -7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.359 -9.412 -6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.399 -10.570 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 92 13.689 -11.500 -5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.313 -9.664 -4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.976 -9.030 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.494 -10.647 -2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.834 -10.986 -2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.812 -11.862 -3.379 1.00 0.00 H new ATOM 63 N GLY A 93 11.561 -7.437 -9.339 1.00 0.00 N ATOM 64 CA GLY A 93 10.676 -7.888 -10.396 1.00 0.00 C ATOM 65 C GLY A 93 11.214 -9.184 -11.001 1.00 0.00 C ATOM 66 O GLY A 93 12.187 -9.746 -10.499 1.00 0.00 O ATOM 0 H GLY A 93 12.199 -6.693 -9.621 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.673 -8.049 -10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.595 -7.122 -11.167 1.00 0.00 H new ATOM 70 N PRO A 94 10.584 -9.666 -12.085 1.00 0.00 N ATOM 71 CA PRO A 94 10.995 -10.885 -12.755 1.00 0.00 C ATOM 72 C PRO A 94 12.279 -10.688 -13.561 1.00 0.00 C ATOM 73 O PRO A 94 12.730 -11.616 -14.236 1.00 0.00 O ATOM 74 CB PRO A 94 9.827 -11.246 -13.671 1.00 0.00 C ATOM 75 CG PRO A 94 8.936 -9.999 -13.761 1.00 0.00 C ATOM 76 CD PRO A 94 9.430 -9.032 -12.684 1.00 0.00 C ATOM 0 HA PRO A 94 11.219 -11.675 -12.038 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.185 -11.538 -14.658 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.269 -12.093 -13.271 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.003 -9.545 -14.750 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.890 -10.258 -13.599 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.694 -8.067 -13.116 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.655 -8.846 -11.940 1.00 0.00 H new ATOM 84 N TRP A 95 12.852 -9.481 -13.489 1.00 0.00 N ATOM 85 CA TRP A 95 14.066 -9.119 -14.227 1.00 0.00 C ATOM 86 C TRP A 95 13.805 -9.234 -15.739 1.00 0.00 C ATOM 87 O TRP A 95 12.706 -9.603 -16.157 1.00 0.00 O ATOM 88 CB TRP A 95 15.240 -10.018 -13.789 1.00 0.00 C ATOM 89 CG TRP A 95 16.025 -9.521 -12.612 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.565 -9.392 -11.356 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.418 -9.092 -12.555 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.541 -8.909 -10.518 1.00 0.00 N ATOM 93 CE2 TRP A 95 17.718 -8.699 -11.210 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.465 -8.993 -13.497 1.00 0.00 C ATOM 95 CZ2 TRP A 95 18.976 -8.222 -10.831 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.735 -8.510 -13.121 1.00 0.00 C ATOM 97 CH2 TRP A 95 19.987 -8.118 -11.792 1.00 0.00 C ATOM 0 H TRP A 95 12.484 -8.724 -12.913 1.00 0.00 H new ATOM 0 HA TRP A 95 14.336 -8.087 -14.004 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.849 -11.008 -13.552 1.00 0.00 H new ATOM 0 HB3 TRP A 95 15.919 -10.137 -14.633 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.560 -9.636 -11.046 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.414 -8.730 -9.522 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.291 -9.292 -14.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.165 -7.937 -9.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.521 -8.440 -13.858 1.00 0.00 H new ATOM 0 HH2 TRP A 95 20.959 -7.738 -11.515 1.00 0.00 H new ATOM 108 N THR A 96 14.817 -8.915 -16.559 1.00 0.00 N ATOM 109 CA THR A 96 14.697 -9.010 -18.011 1.00 0.00 C ATOM 110 C THR A 96 15.944 -9.688 -18.570 1.00 0.00 C ATOM 111 O THR A 96 17.007 -9.637 -17.955 1.00 0.00 O ATOM 112 CB THR A 96 14.503 -7.613 -18.638 1.00 0.00 C ATOM 113 OG1 THR A 96 15.756 -6.994 -18.841 1.00 0.00 O ATOM 114 CG2 THR A 96 13.642 -6.730 -17.729 1.00 0.00 C ATOM 0 H THR A 96 15.727 -8.589 -16.235 1.00 0.00 H new ATOM 0 HA THR A 96 13.820 -9.606 -18.262 1.00 0.00 H new ATOM 0 HB THR A 96 13.998 -7.736 -19.596 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.623 -6.109 -19.241 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.516 -5.749 -18.188 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.665 -7.194 -17.590 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.131 -6.618 -16.761 1.00 0.00 H new ATOM 122 N LYS A 97 15.810 -10.323 -19.740 1.00 0.00 N ATOM 123 CA LYS A 97 16.923 -11.008 -20.381 1.00 0.00 C ATOM 124 C LYS A 97 18.076 -10.029 -20.616 1.00 0.00 C ATOM 125 O LYS A 97 19.238 -10.405 -20.510 1.00 0.00 O ATOM 126 CB LYS A 97 16.441 -11.618 -21.703 1.00 0.00 C ATOM 127 CG LYS A 97 17.514 -12.559 -22.267 1.00 0.00 C ATOM 128 CD LYS A 97 17.119 -13.042 -23.671 1.00 0.00 C ATOM 129 CE LYS A 97 15.855 -13.911 -23.607 1.00 0.00 C ATOM 130 NZ LYS A 97 14.642 -13.118 -23.890 1.00 0.00 N ATOM 0 H LYS A 97 14.934 -10.373 -20.260 1.00 0.00 H new ATOM 0 HA LYS A 97 17.288 -11.807 -19.736 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.512 -12.166 -21.543 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.225 -10.827 -22.421 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.473 -12.043 -22.310 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.641 -13.415 -21.604 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.945 -12.184 -24.321 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.938 -13.613 -24.109 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.935 -14.726 -24.326 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.773 -14.365 -22.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.908 -13.343 -23.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.870 -12.105 -23.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.292 -13.347 -24.842 1.00 0.00 H new ATOM 144 N GLU A 98 17.746 -8.772 -20.934 1.00 0.00 N ATOM 145 CA GLU A 98 18.746 -7.746 -21.188 1.00 0.00 C ATOM 146 C GLU A 98 19.474 -7.395 -19.887 1.00 0.00 C ATOM 147 O GLU A 98 20.696 -7.265 -19.871 1.00 0.00 O ATOM 148 CB GLU A 98 18.058 -6.511 -21.780 1.00 0.00 C ATOM 149 CG GLU A 98 19.070 -5.690 -22.582 1.00 0.00 C ATOM 150 CD GLU A 98 18.515 -4.308 -22.901 1.00 0.00 C ATOM 151 OE1 GLU A 98 18.374 -3.520 -21.938 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.244 -4.064 -24.093 1.00 0.00 O ATOM 0 H GLU A 98 16.783 -8.446 -21.020 1.00 0.00 H new ATOM 0 HA GLU A 98 19.484 -8.114 -21.900 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.232 -6.816 -22.423 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.633 -5.902 -20.982 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.996 -5.593 -22.016 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.315 -6.211 -23.508 1.00 0.00 H new ATOM 159 N GLU A 99 18.717 -7.243 -18.796 1.00 0.00 N ATOM 160 CA GLU A 99 19.290 -6.925 -17.495 1.00 0.00 C ATOM 161 C GLU A 99 20.225 -8.062 -17.075 1.00 0.00 C ATOM 162 O GLU A 99 21.337 -7.817 -16.611 1.00 0.00 O ATOM 163 CB GLU A 99 18.153 -6.745 -16.480 1.00 0.00 C ATOM 164 CG GLU A 99 18.166 -5.322 -15.918 1.00 0.00 C ATOM 165 CD GLU A 99 16.892 -5.040 -15.128 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.193 -6.029 -14.796 1.00 0.00 O ATOM 167 OE2 GLU A 99 16.639 -3.849 -14.863 1.00 0.00 O ATOM 0 H GLU A 99 17.701 -7.337 -18.794 1.00 0.00 H new ATOM 0 HA GLU A 99 19.864 -6.000 -17.542 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.194 -6.946 -16.958 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.262 -7.465 -15.669 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.035 -5.188 -15.274 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.260 -4.605 -16.734 1.00 0.00 H new ATOM 174 N ASP A 100 19.769 -9.307 -17.254 1.00 0.00 N ATOM 175 CA ASP A 100 20.567 -10.480 -16.935 1.00 0.00 C ATOM 176 C ASP A 100 21.817 -10.509 -17.817 1.00 0.00 C ATOM 177 O ASP A 100 22.906 -10.806 -17.334 1.00 0.00 O ATOM 178 CB ASP A 100 19.723 -11.744 -17.147 1.00 0.00 C ATOM 179 CG ASP A 100 18.934 -12.093 -15.897 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.557 -12.629 -14.956 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.716 -11.823 -15.902 1.00 0.00 O ATOM 0 H ASP A 100 18.842 -9.521 -17.622 1.00 0.00 H new ATOM 0 HA ASP A 100 20.882 -10.440 -15.892 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.039 -11.592 -17.982 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.372 -12.577 -17.415 1.00 0.00 H new ATOM 186 N GLN A 101 21.656 -10.195 -19.112 1.00 0.00 N ATOM 187 CA GLN A 101 22.769 -10.183 -20.053 1.00 0.00 C ATOM 188 C GLN A 101 23.870 -9.253 -19.544 1.00 0.00 C ATOM 189 O GLN A 101 25.044 -9.613 -19.577 1.00 0.00 O ATOM 190 CB GLN A 101 22.265 -9.750 -21.439 1.00 0.00 C ATOM 191 CG GLN A 101 23.391 -9.867 -22.478 1.00 0.00 C ATOM 192 CD GLN A 101 24.306 -8.644 -22.452 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.835 -7.510 -22.467 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.616 -8.876 -22.411 1.00 0.00 N ATOM 0 H GLN A 101 20.758 -9.946 -19.526 1.00 0.00 H new ATOM 0 HA GLN A 101 23.190 -11.184 -20.140 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.421 -10.372 -21.737 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.905 -8.722 -21.397 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.977 -10.765 -22.282 1.00 0.00 H new ATOM 0 HG3 GLN A 101 22.960 -9.979 -23.473 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.964 -9.835 -22.400 1.00 0.00 H new ATOM 0 HE22 GLN A 101 26.272 -8.095 -22.391 1.00 0.00 H new ATOM 203 N ARG A 102 23.496 -8.059 -19.065 1.00 0.00 N ATOM 204 CA ARG A 102 24.471 -7.117 -18.538 1.00 0.00 C ATOM 205 C ARG A 102 25.288 -7.791 -17.436 1.00 0.00 C ATOM 206 O ARG A 102 26.511 -7.788 -17.489 1.00 0.00 O ATOM 207 CB ARG A 102 23.767 -5.868 -17.996 1.00 0.00 C ATOM 208 CG ARG A 102 23.261 -5.005 -19.152 1.00 0.00 C ATOM 209 CD ARG A 102 22.643 -3.720 -18.593 1.00 0.00 C ATOM 210 NE ARG A 102 22.164 -2.849 -19.675 1.00 0.00 N ATOM 211 CZ ARG A 102 20.979 -3.015 -20.291 1.00 0.00 C ATOM 212 NH1 ARG A 102 20.163 -4.016 -19.941 1.00 0.00 N ATOM 213 NH2 ARG A 102 20.608 -2.175 -21.262 1.00 0.00 N ATOM 0 H ARG A 102 22.530 -7.731 -19.035 1.00 0.00 H new ATOM 0 HA ARG A 102 25.141 -6.809 -19.340 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.933 -6.160 -17.358 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.456 -5.293 -17.377 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.082 -4.763 -19.827 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.521 -5.554 -19.734 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.815 -3.970 -17.930 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.382 -3.188 -17.994 1.00 0.00 H new ATOM 0 HE ARG A 102 22.761 -2.078 -19.975 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.437 -4.662 -19.201 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.267 -4.133 -20.414 1.00 0.00 H new ATOM 0 HH21 ARG A 102 21.223 -1.409 -21.536 1.00 0.00 H new ATOM 0 HH22 ARG A 102 19.710 -2.300 -21.729 1.00 0.00 H new ATOM 227 N VAL A 103 24.607 -8.372 -16.439 1.00 0.00 N ATOM 228 CA VAL A 103 25.280 -9.035 -15.326 1.00 0.00 C ATOM 229 C VAL A 103 26.202 -10.143 -15.850 1.00 0.00 C ATOM 230 O VAL A 103 27.335 -10.267 -15.391 1.00 0.00 O ATOM 231 CB VAL A 103 24.236 -9.599 -14.350 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.939 -10.363 -13.223 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.427 -8.451 -13.741 1.00 0.00 C ATOM 0 H VAL A 103 23.589 -8.393 -16.385 1.00 0.00 H new ATOM 0 HA VAL A 103 25.895 -8.311 -14.792 1.00 0.00 H new ATOM 0 HB VAL A 103 23.572 -10.272 -14.892 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.194 -10.761 -12.534 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.518 -11.184 -13.646 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.606 -9.688 -12.687 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.687 -8.854 -13.049 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.097 -7.778 -13.205 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.920 -7.902 -14.535 1.00 0.00 H new ATOM 243 N ILE A 104 25.717 -10.944 -16.809 1.00 0.00 N ATOM 244 CA ILE A 104 26.505 -12.030 -17.385 1.00 0.00 C ATOM 245 C ILE A 104 27.834 -11.489 -17.911 1.00 0.00 C ATOM 246 O ILE A 104 28.903 -11.948 -17.500 1.00 0.00 O ATOM 247 CB ILE A 104 25.700 -12.705 -18.517 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.640 -13.637 -17.914 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.641 -13.507 -19.429 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.744 -14.200 -19.017 1.00 0.00 C ATOM 0 H ILE A 104 24.779 -10.855 -17.200 1.00 0.00 H new ATOM 0 HA ILE A 104 26.720 -12.773 -16.617 1.00 0.00 H new ATOM 0 HB ILE A 104 25.207 -11.934 -19.110 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.125 -14.453 -17.378 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.037 -13.092 -17.188 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.063 -13.979 -20.224 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.381 -12.837 -19.867 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.148 -14.275 -18.844 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.996 -14.860 -18.577 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.245 -13.380 -19.535 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.351 -14.762 -19.727 1.00 0.00 H new ATOM 262 N GLU A 105 27.765 -10.522 -18.826 1.00 0.00 N ATOM 263 CA GLU A 105 28.952 -9.954 -19.442 1.00 0.00 C ATOM 264 C GLU A 105 29.825 -9.261 -18.395 1.00 0.00 C ATOM 265 O GLU A 105 31.045 -9.314 -18.483 1.00 0.00 O ATOM 266 CB GLU A 105 28.527 -8.967 -20.540 1.00 0.00 C ATOM 267 CG GLU A 105 29.068 -9.432 -21.900 1.00 0.00 C ATOM 268 CD GLU A 105 28.511 -10.804 -22.284 1.00 0.00 C ATOM 269 OE1 GLU A 105 27.282 -10.986 -22.135 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.327 -11.645 -22.721 1.00 0.00 O ATOM 0 H GLU A 105 26.889 -10.117 -19.155 1.00 0.00 H new ATOM 0 HA GLU A 105 29.544 -10.753 -19.888 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.440 -8.896 -20.576 1.00 0.00 H new ATOM 0 HB3 GLU A 105 28.904 -7.970 -20.311 1.00 0.00 H new ATOM 0 HG2 GLU A 105 28.804 -8.703 -22.666 1.00 0.00 H new ATOM 0 HG3 GLU A 105 30.156 -9.477 -21.864 1.00 0.00 H new ATOM 277 N LEU A 106 29.206 -8.607 -17.407 1.00 0.00 N ATOM 278 CA LEU A 106 29.947 -7.896 -16.374 1.00 0.00 C ATOM 279 C LEU A 106 30.743 -8.878 -15.507 1.00 0.00 C ATOM 280 O LEU A 106 31.877 -8.585 -15.140 1.00 0.00 O ATOM 281 CB LEU A 106 28.982 -7.067 -15.522 1.00 0.00 C ATOM 282 CG LEU A 106 28.508 -5.833 -16.311 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.282 -5.230 -15.623 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.619 -4.782 -16.362 1.00 0.00 C ATOM 0 H LEU A 106 28.192 -8.558 -17.306 1.00 0.00 H new ATOM 0 HA LEU A 106 30.659 -7.221 -16.849 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.125 -7.675 -15.233 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.475 -6.753 -14.602 1.00 0.00 H new ATOM 0 HG LEU A 106 28.254 -6.138 -17.326 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.945 -4.356 -16.180 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.482 -5.970 -15.590 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.544 -4.934 -14.607 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.273 -3.914 -16.922 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.880 -4.479 -15.348 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.497 -5.204 -16.852 1.00 0.00 H new ATOM 296 N VAL A 107 30.164 -10.043 -15.183 1.00 0.00 N ATOM 297 CA VAL A 107 30.862 -11.042 -14.391 1.00 0.00 C ATOM 298 C VAL A 107 31.993 -11.628 -15.230 1.00 0.00 C ATOM 299 O VAL A 107 33.071 -11.892 -14.717 1.00 0.00 O ATOM 300 CB VAL A 107 29.873 -12.124 -13.929 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.631 -13.379 -13.484 1.00 0.00 C ATOM 302 CG2 VAL A 107 29.060 -11.591 -12.748 1.00 0.00 C ATOM 0 H VAL A 107 29.219 -10.307 -15.460 1.00 0.00 H new ATOM 0 HA VAL A 107 31.292 -10.591 -13.497 1.00 0.00 H new ATOM 0 HB VAL A 107 29.213 -12.378 -14.758 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.919 -14.138 -13.159 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.217 -13.765 -14.318 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.296 -13.128 -12.658 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.357 -12.355 -12.416 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.732 -11.336 -11.929 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.511 -10.701 -13.056 1.00 0.00 H new ATOM 312 N GLN A 108 31.747 -11.815 -16.529 1.00 0.00 N ATOM 313 CA GLN A 108 32.767 -12.308 -17.441 1.00 0.00 C ATOM 314 C GLN A 108 33.901 -11.276 -17.538 1.00 0.00 C ATOM 315 O GLN A 108 35.070 -11.640 -17.641 1.00 0.00 O ATOM 316 CB GLN A 108 32.124 -12.545 -18.812 1.00 0.00 C ATOM 317 CG GLN A 108 33.071 -13.343 -19.716 1.00 0.00 C ATOM 318 CD GLN A 108 32.631 -13.257 -21.176 1.00 0.00 C ATOM 319 OE1 GLN A 108 33.465 -13.238 -22.076 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.319 -13.200 -21.407 1.00 0.00 N ATOM 0 H GLN A 108 30.845 -11.630 -16.968 1.00 0.00 H new ATOM 0 HA GLN A 108 33.187 -13.246 -17.079 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.185 -13.085 -18.692 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.885 -11.589 -19.279 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.086 -12.960 -19.615 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.091 -14.386 -19.399 1.00 0.00 H new ATOM 0 HE21 GLN A 108 30.662 -13.219 -20.627 1.00 0.00 H new ATOM 0 HE22 GLN A 108 30.972 -13.138 -22.364 1.00 0.00 H new ATOM 329 N LYS A 109 33.533 -9.988 -17.510 1.00 0.00 N ATOM 330 CA LYS A 109 34.480 -8.890 -17.622 1.00 0.00 C ATOM 331 C LYS A 109 35.325 -8.764 -16.351 1.00 0.00 C ATOM 332 O LYS A 109 36.530 -9.002 -16.379 1.00 0.00 O ATOM 333 CB LYS A 109 33.691 -7.597 -17.879 1.00 0.00 C ATOM 334 CG LYS A 109 34.650 -6.453 -18.222 1.00 0.00 C ATOM 335 CD LYS A 109 33.844 -5.174 -18.477 1.00 0.00 C ATOM 336 CE LYS A 109 34.793 -3.990 -18.699 1.00 0.00 C ATOM 337 NZ LYS A 109 35.414 -3.554 -17.433 1.00 0.00 N ATOM 0 H LYS A 109 32.564 -9.686 -17.408 1.00 0.00 H new ATOM 0 HA LYS A 109 35.165 -9.079 -18.449 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.986 -7.748 -18.697 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.105 -7.338 -16.997 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.354 -6.296 -17.405 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.238 -6.708 -19.104 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.204 -5.306 -19.349 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.190 -4.972 -17.629 1.00 0.00 H new ATOM 0 HE2 LYS A 109 35.570 -4.273 -19.409 1.00 0.00 H new ATOM 0 HE3 LYS A 109 34.244 -3.159 -19.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 35.797 -2.594 -17.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 34.699 -3.555 -16.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 36.184 -4.206 -17.181 1.00 0.00 H new ATOM 351 N TYR A 110 34.688 -8.371 -15.242 1.00 0.00 N ATOM 352 CA TYR A 110 35.374 -8.162 -13.976 1.00 0.00 C ATOM 353 C TYR A 110 35.718 -9.496 -13.334 1.00 0.00 C ATOM 354 O TYR A 110 36.885 -9.784 -13.076 1.00 0.00 O ATOM 355 CB TYR A 110 34.467 -7.343 -13.051 1.00 0.00 C ATOM 356 CG TYR A 110 34.300 -5.910 -13.501 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.357 -4.995 -13.340 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.093 -5.492 -14.085 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.203 -3.665 -13.763 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.942 -4.163 -14.506 1.00 0.00 C ATOM 361 CZ TYR A 110 33.994 -3.249 -14.343 1.00 0.00 C ATOM 362 OH TYR A 110 33.844 -1.960 -14.754 1.00 0.00 O ATOM 0 H TYR A 110 33.685 -8.191 -15.204 1.00 0.00 H new ATOM 0 HA TYR A 110 36.304 -7.621 -14.149 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.487 -7.818 -12.999 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.881 -7.355 -12.043 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.286 -5.315 -12.892 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.282 -6.194 -14.210 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.014 -2.962 -13.642 1.00 0.00 H new ATOM 0 HE2 TYR A 110 32.014 -3.842 -14.957 1.00 0.00 H new ATOM 0 HH TYR A 110 33.059 -1.567 -14.318 1.00 0.00 H new ATOM 372 N GLY A 111 34.691 -10.299 -13.068 1.00 0.00 N ATOM 373 CA GLY A 111 34.851 -11.588 -12.427 1.00 0.00 C ATOM 374 C GLY A 111 33.668 -11.831 -11.497 1.00 0.00 C ATOM 375 O GLY A 111 32.846 -10.935 -11.295 1.00 0.00 O ATOM 0 H GLY A 111 33.724 -10.067 -13.294 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.908 -12.377 -13.177 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.784 -11.615 -11.864 1.00 0.00 H new ATOM 379 N PRO A 112 33.578 -13.037 -10.921 1.00 0.00 N ATOM 380 CA PRO A 112 32.531 -13.380 -9.988 1.00 0.00 C ATOM 381 C PRO A 112 32.568 -12.436 -8.790 1.00 0.00 C ATOM 382 O PRO A 112 33.619 -11.883 -8.465 1.00 0.00 O ATOM 383 CB PRO A 112 32.806 -14.826 -9.571 1.00 0.00 C ATOM 384 CG PRO A 112 34.142 -15.222 -10.196 1.00 0.00 C ATOM 385 CD PRO A 112 34.519 -14.104 -11.164 1.00 0.00 C ATOM 0 HA PRO A 112 31.538 -13.285 -10.428 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.847 -14.914 -8.485 1.00 0.00 H new ATOM 0 HB3 PRO A 112 32.009 -15.485 -9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.907 -15.345 -9.429 1.00 0.00 H new ATOM 0 HG3 PRO A 112 34.058 -16.175 -10.718 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.542 -13.769 -10.994 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.463 -14.446 -12.197 1.00 0.00 H new ATOM 393 N LYS A 113 31.415 -12.254 -8.139 1.00 0.00 N ATOM 394 CA LYS A 113 31.299 -11.368 -6.989 1.00 0.00 C ATOM 395 C LYS A 113 31.591 -9.928 -7.426 1.00 0.00 C ATOM 396 O LYS A 113 31.267 -9.556 -8.549 1.00 0.00 O ATOM 397 CB LYS A 113 32.227 -11.839 -5.849 1.00 0.00 C ATOM 398 CG LYS A 113 32.121 -13.366 -5.656 1.00 0.00 C ATOM 399 CD LYS A 113 30.659 -13.783 -5.418 1.00 0.00 C ATOM 400 CE LYS A 113 30.558 -15.309 -5.307 1.00 0.00 C ATOM 401 NZ LYS A 113 30.781 -15.956 -6.616 1.00 0.00 N ATOM 0 H LYS A 113 30.543 -12.716 -8.397 1.00 0.00 H new ATOM 0 HA LYS A 113 30.282 -11.398 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.258 -11.567 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 113 31.960 -11.331 -4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.512 -13.877 -6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 113 32.735 -13.674 -4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 113 30.284 -13.319 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.033 -13.428 -6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 113 31.292 -15.673 -4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 113 29.575 -15.584 -4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 30.401 -16.924 -6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 30.299 -15.411 -7.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 31.801 -15.989 -6.818 1.00 0.00 H new ATOM 415 N ARG A 114 32.189 -9.120 -6.537 1.00 0.00 N ATOM 416 CA ARG A 114 32.493 -7.717 -6.834 1.00 0.00 C ATOM 417 C ARG A 114 31.195 -6.978 -7.186 1.00 0.00 C ATOM 418 O ARG A 114 31.167 -6.147 -8.099 1.00 0.00 O ATOM 419 CB ARG A 114 33.510 -7.625 -7.986 1.00 0.00 C ATOM 420 CG ARG A 114 34.751 -8.472 -7.670 1.00 0.00 C ATOM 421 CD ARG A 114 35.711 -8.448 -8.864 1.00 0.00 C ATOM 422 NE ARG A 114 36.252 -7.099 -9.091 1.00 0.00 N ATOM 423 CZ ARG A 114 37.267 -6.579 -8.375 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.820 -7.281 -7.375 1.00 0.00 N ATOM 425 NH2 ARG A 114 37.727 -5.354 -8.663 1.00 0.00 N ATOM 0 H ARG A 114 32.472 -9.419 -5.604 1.00 0.00 H new ATOM 0 HA ARG A 114 32.937 -7.247 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.052 -7.970 -8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.800 -6.586 -8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.250 -8.085 -6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.456 -9.498 -7.449 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.530 -9.145 -8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.190 -8.788 -9.759 1.00 0.00 H new ATOM 0 HE ARG A 114 35.837 -6.529 -9.828 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.472 -8.214 -7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.589 -6.882 -6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 114 37.308 -4.818 -9.423 1.00 0.00 H new ATOM 0 HH22 ARG A 114 38.496 -4.958 -8.122 1.00 0.00 H new ATOM 439 N TRP A 115 30.119 -7.293 -6.454 1.00 0.00 N ATOM 440 CA TRP A 115 28.806 -6.712 -6.695 1.00 0.00 C ATOM 441 C TRP A 115 28.810 -5.211 -6.424 1.00 0.00 C ATOM 442 O TRP A 115 27.954 -4.496 -6.930 1.00 0.00 O ATOM 443 CB TRP A 115 27.779 -7.446 -5.830 1.00 0.00 C ATOM 444 CG TRP A 115 27.787 -8.920 -6.067 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.086 -9.868 -5.163 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.542 -9.633 -7.312 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.075 -11.115 -5.741 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.758 -11.027 -7.087 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.175 -9.244 -8.621 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.655 -11.972 -8.112 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.044 -10.196 -9.646 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.303 -11.547 -9.399 1.00 0.00 C ATOM 0 H TRP A 115 30.141 -7.958 -5.681 1.00 0.00 H new ATOM 0 HA TRP A 115 28.537 -6.834 -7.744 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.986 -7.248 -4.778 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.784 -7.052 -6.039 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.305 -9.676 -4.123 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.273 -11.985 -5.247 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.993 -8.201 -8.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.845 -13.017 -7.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.740 -9.881 -10.633 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.231 -12.265 -10.203 1.00 0.00 H new ATOM 463 N SER A 116 29.777 -4.729 -5.640 1.00 0.00 N ATOM 464 CA SER A 116 29.891 -3.311 -5.349 1.00 0.00 C ATOM 465 C SER A 116 30.168 -2.528 -6.637 1.00 0.00 C ATOM 466 O SER A 116 29.765 -1.372 -6.755 1.00 0.00 O ATOM 467 CB SER A 116 31.015 -3.097 -4.333 1.00 0.00 C ATOM 468 OG SER A 116 30.838 -3.974 -3.240 1.00 0.00 O ATOM 0 H SER A 116 30.491 -5.308 -5.197 1.00 0.00 H new ATOM 0 HA SER A 116 28.954 -2.946 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.982 -3.275 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.014 -2.063 -3.987 1.00 0.00 H new ATOM 0 HG SER A 116 31.559 -3.837 -2.591 1.00 0.00 H new ATOM 474 N VAL A 117 30.857 -3.159 -7.600 1.00 0.00 N ATOM 475 CA VAL A 117 31.188 -2.522 -8.871 1.00 0.00 C ATOM 476 C VAL A 117 30.095 -2.819 -9.896 1.00 0.00 C ATOM 477 O VAL A 117 29.647 -1.922 -10.603 1.00 0.00 O ATOM 478 CB VAL A 117 32.550 -3.041 -9.360 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.908 -2.383 -10.695 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.631 -2.711 -8.325 1.00 0.00 C ATOM 0 H VAL A 117 31.195 -4.118 -7.515 1.00 0.00 H new ATOM 0 HA VAL A 117 31.251 -1.442 -8.739 1.00 0.00 H new ATOM 0 HB VAL A 117 32.491 -4.121 -9.493 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.874 -2.755 -11.036 1.00 0.00 H new ATOM 0 HG12 VAL A 117 32.145 -2.623 -11.435 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.960 -1.302 -10.565 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.595 -3.080 -8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.685 -1.631 -8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.383 -3.186 -7.376 1.00 0.00 H new ATOM 490 N ILE A 118 29.668 -4.082 -9.975 1.00 0.00 N ATOM 491 CA ILE A 118 28.643 -4.494 -10.924 1.00 0.00 C ATOM 492 C ILE A 118 27.340 -3.723 -10.661 1.00 0.00 C ATOM 493 O ILE A 118 26.636 -3.360 -11.603 1.00 0.00 O ATOM 494 CB ILE A 118 28.447 -6.015 -10.819 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.739 -6.718 -11.283 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.273 -6.459 -11.702 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.743 -8.181 -10.844 1.00 0.00 C ATOM 0 H ILE A 118 30.022 -4.837 -9.387 1.00 0.00 H new ATOM 0 HA ILE A 118 28.953 -4.260 -11.942 1.00 0.00 H new ATOM 0 HB ILE A 118 28.228 -6.282 -9.785 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.822 -6.658 -12.368 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.607 -6.206 -10.868 1.00 0.00 H new ATOM 0 HG21 ILE A 118 27.144 -7.538 -11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.362 -5.958 -11.375 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.479 -6.196 -12.740 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.663 -8.659 -11.181 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.683 -8.235 -9.757 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.886 -8.694 -11.280 1.00 0.00 H new ATOM 509 N ALA A 119 27.022 -3.464 -9.384 1.00 0.00 N ATOM 510 CA ALA A 119 25.817 -2.725 -9.024 1.00 0.00 C ATOM 511 C ALA A 119 25.871 -1.308 -9.599 1.00 0.00 C ATOM 512 O ALA A 119 24.848 -0.771 -10.018 1.00 0.00 O ATOM 513 CB ALA A 119 25.680 -2.677 -7.503 1.00 0.00 C ATOM 0 H ALA A 119 27.587 -3.758 -8.588 1.00 0.00 H new ATOM 0 HA ALA A 119 24.948 -3.232 -9.444 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.779 -2.124 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.612 -3.692 -7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.551 -2.180 -7.075 1.00 0.00 H new ATOM 519 N LYS A 120 27.068 -0.700 -9.620 1.00 0.00 N ATOM 520 CA LYS A 120 27.238 0.652 -10.141 1.00 0.00 C ATOM 521 C LYS A 120 26.989 0.685 -11.655 1.00 0.00 C ATOM 522 O LYS A 120 26.852 1.766 -12.225 1.00 0.00 O ATOM 523 CB LYS A 120 28.646 1.164 -9.808 1.00 0.00 C ATOM 524 CG LYS A 120 28.704 1.609 -8.340 1.00 0.00 C ATOM 525 CD LYS A 120 29.917 2.526 -8.112 1.00 0.00 C ATOM 526 CE LYS A 120 31.225 1.729 -8.192 1.00 0.00 C ATOM 527 NZ LYS A 120 31.384 0.842 -7.025 1.00 0.00 N ATOM 0 H LYS A 120 27.929 -1.130 -9.280 1.00 0.00 H new ATOM 0 HA LYS A 120 26.506 1.307 -9.668 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.380 0.379 -9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.903 1.998 -10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 120 27.787 2.134 -8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.771 0.737 -7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 120 29.924 3.320 -8.859 1.00 0.00 H new ATOM 0 HD3 LYS A 120 29.837 3.006 -7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.237 1.136 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 120 32.069 2.416 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 32.334 0.419 -7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 31.261 1.393 -6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 30.669 0.088 -7.062 1.00 0.00 H new ATOM 541 N HIS A 121 26.923 -0.490 -12.301 1.00 0.00 N ATOM 542 CA HIS A 121 26.660 -0.580 -13.731 1.00 0.00 C ATOM 543 C HIS A 121 25.189 -0.932 -13.946 1.00 0.00 C ATOM 544 O HIS A 121 24.561 -0.444 -14.885 1.00 0.00 O ATOM 545 CB HIS A 121 27.585 -1.628 -14.350 1.00 0.00 C ATOM 546 CG HIS A 121 29.039 -1.332 -14.078 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.558 -0.042 -14.096 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.106 -2.135 -13.770 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.870 -0.146 -13.808 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.270 -1.400 -13.600 1.00 0.00 N ATOM 0 H HIS A 121 27.050 -1.393 -11.844 1.00 0.00 H new ATOM 0 HA HIS A 121 26.858 0.375 -14.218 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.335 -2.612 -13.953 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.419 -1.667 -15.426 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.044 0.818 -14.290 1.00 0.00 H new ATOM 0 HD2 HIS A 121 30.048 -3.209 -13.672 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.533 0.704 -13.751 1.00 0.00 H new ATOM 558 N LEU A 122 24.639 -1.769 -13.057 1.00 0.00 N ATOM 559 CA LEU A 122 23.234 -2.142 -13.099 1.00 0.00 C ATOM 560 C LEU A 122 22.442 -1.051 -12.378 1.00 0.00 C ATOM 561 O LEU A 122 21.953 -1.248 -11.265 1.00 0.00 O ATOM 562 CB LEU A 122 23.038 -3.519 -12.431 1.00 0.00 C ATOM 563 CG LEU A 122 22.995 -4.652 -13.476 1.00 0.00 C ATOM 564 CD1 LEU A 122 21.718 -4.550 -14.315 1.00 0.00 C ATOM 565 CD2 LEU A 122 24.219 -4.594 -14.392 1.00 0.00 C ATOM 0 H LEU A 122 25.160 -2.201 -12.294 1.00 0.00 H new ATOM 0 HA LEU A 122 22.881 -2.227 -14.127 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.850 -3.702 -11.727 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.112 -3.517 -11.856 1.00 0.00 H new ATOM 0 HG LEU A 122 23.002 -5.604 -12.944 1.00 0.00 H new ATOM 0 HD11 LEU A 122 21.700 -5.356 -15.049 1.00 0.00 H new ATOM 0 HD12 LEU A 122 20.848 -4.632 -13.664 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.697 -3.589 -14.830 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.167 -5.403 -15.121 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.239 -3.637 -14.913 1.00 0.00 H new ATOM 0 HD23 LEU A 122 25.125 -4.701 -13.796 1.00 0.00 H new ATOM 577 N LYS A 123 22.337 0.110 -13.027 1.00 0.00 N ATOM 578 CA LYS A 123 21.656 1.264 -12.467 1.00 0.00 C ATOM 579 C LYS A 123 20.240 0.887 -12.039 1.00 0.00 C ATOM 580 O LYS A 123 19.516 0.230 -12.786 1.00 0.00 O ATOM 581 CB LYS A 123 21.622 2.388 -13.511 1.00 0.00 C ATOM 582 CG LYS A 123 23.045 2.742 -13.974 1.00 0.00 C ATOM 583 CD LYS A 123 23.865 3.292 -12.803 1.00 0.00 C ATOM 584 CE LYS A 123 25.077 4.054 -13.347 1.00 0.00 C ATOM 585 NZ LYS A 123 26.033 4.365 -12.271 1.00 0.00 N ATOM 0 H LYS A 123 22.725 0.270 -13.957 1.00 0.00 H new ATOM 0 HA LYS A 123 22.195 1.611 -11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.022 2.078 -14.367 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.142 3.270 -13.088 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.532 1.857 -14.384 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.001 3.481 -14.774 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.250 3.953 -12.192 1.00 0.00 H new ATOM 0 HD3 LYS A 123 24.193 2.476 -12.159 1.00 0.00 H new ATOM 0 HE2 LYS A 123 25.570 3.459 -14.115 1.00 0.00 H new ATOM 0 HE3 LYS A 123 24.747 4.977 -13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 26.726 5.061 -12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 25.522 4.758 -11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 26.528 3.496 -11.984 1.00 0.00 H new ATOM 599 N GLY A 124 19.853 1.306 -10.828 1.00 0.00 N ATOM 600 CA GLY A 124 18.533 1.025 -10.289 1.00 0.00 C ATOM 601 C GLY A 124 18.608 -0.118 -9.282 1.00 0.00 C ATOM 602 O GLY A 124 17.959 -0.064 -8.237 1.00 0.00 O ATOM 0 H GLY A 124 20.450 1.847 -10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.131 1.917 -9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.850 0.763 -11.097 1.00 0.00 H new ATOM 606 N ARG A 125 19.395 -1.153 -9.596 1.00 0.00 N ATOM 607 CA ARG A 125 19.545 -2.308 -8.721 1.00 0.00 C ATOM 608 C ARG A 125 20.666 -2.046 -7.717 1.00 0.00 C ATOM 609 O ARG A 125 21.331 -1.013 -7.779 1.00 0.00 O ATOM 610 CB ARG A 125 19.862 -3.554 -9.563 1.00 0.00 C ATOM 611 CG ARG A 125 18.705 -3.870 -10.522 1.00 0.00 C ATOM 612 CD ARG A 125 17.624 -4.684 -9.795 1.00 0.00 C ATOM 613 NE ARG A 125 16.359 -4.683 -10.548 1.00 0.00 N ATOM 614 CZ ARG A 125 16.221 -5.247 -11.762 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.216 -5.960 -12.292 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.084 -5.095 -12.446 1.00 0.00 N ATOM 0 H ARG A 125 19.939 -1.209 -10.457 1.00 0.00 H new ATOM 0 HA ARG A 125 18.616 -2.478 -8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.778 -3.392 -10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.041 -4.406 -8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.277 -2.944 -10.906 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.077 -4.429 -11.381 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.968 -5.709 -9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.459 -4.268 -8.801 1.00 0.00 H new ATOM 0 HE ARG A 125 15.546 -4.232 -10.128 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.088 -6.080 -11.777 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.105 -6.385 -13.213 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.318 -4.551 -12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.981 -5.523 -13.366 1.00 0.00 H new ATOM 630 N ILE A 126 20.872 -2.993 -6.795 1.00 0.00 N ATOM 631 CA ILE A 126 21.919 -2.894 -5.787 1.00 0.00 C ATOM 632 C ILE A 126 22.685 -4.217 -5.727 1.00 0.00 C ATOM 633 O ILE A 126 22.319 -5.184 -6.400 1.00 0.00 O ATOM 634 CB ILE A 126 21.303 -2.537 -4.421 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.217 -3.556 -4.046 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.697 -1.130 -4.486 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.755 -3.329 -2.605 1.00 0.00 C ATOM 0 H ILE A 126 20.316 -3.846 -6.731 1.00 0.00 H new ATOM 0 HA ILE A 126 22.618 -2.101 -6.052 1.00 0.00 H new ATOM 0 HB ILE A 126 22.083 -2.562 -3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.370 -3.463 -4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.605 -4.569 -4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.261 -0.877 -3.520 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.477 -0.409 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.922 -1.103 -5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.985 -4.057 -2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.602 -3.445 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.348 -2.322 -2.508 1.00 0.00 H new ATOM 649 N GLY A 127 23.754 -4.253 -4.925 1.00 0.00 N ATOM 650 CA GLY A 127 24.594 -5.435 -4.795 1.00 0.00 C ATOM 651 C GLY A 127 23.766 -6.672 -4.450 1.00 0.00 C ATOM 652 O GLY A 127 23.939 -7.720 -5.067 1.00 0.00 O ATOM 0 H GLY A 127 24.055 -3.464 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.133 -5.604 -5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.342 -5.268 -4.020 1.00 0.00 H new ATOM 656 N LYS A 128 22.873 -6.550 -3.461 1.00 0.00 N ATOM 657 CA LYS A 128 22.045 -7.665 -3.020 1.00 0.00 C ATOM 658 C LYS A 128 21.213 -8.219 -4.181 1.00 0.00 C ATOM 659 O LYS A 128 21.137 -9.429 -4.361 1.00 0.00 O ATOM 660 CB LYS A 128 21.136 -7.194 -1.879 1.00 0.00 C ATOM 661 CG LYS A 128 20.366 -8.386 -1.301 1.00 0.00 C ATOM 662 CD LYS A 128 19.537 -7.928 -0.099 1.00 0.00 C ATOM 663 CE LYS A 128 18.766 -9.120 0.474 1.00 0.00 C ATOM 664 NZ LYS A 128 17.962 -8.718 1.643 1.00 0.00 N ATOM 0 H LYS A 128 22.709 -5.682 -2.952 1.00 0.00 H new ATOM 0 HA LYS A 128 22.688 -8.469 -2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.732 -6.722 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.438 -6.442 -2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.715 -8.815 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 128 21.061 -9.169 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.188 -7.502 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.843 -7.143 -0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.115 -9.539 -0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 128 19.465 -9.905 0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 17.449 -9.544 2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 18.589 -8.341 2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.280 -7.986 1.360 1.00 0.00 H new ATOM 678 N GLN A 129 20.585 -7.329 -4.957 1.00 0.00 N ATOM 679 CA GLN A 129 19.739 -7.727 -6.075 1.00 0.00 C ATOM 680 C GLN A 129 20.550 -8.515 -7.099 1.00 0.00 C ATOM 681 O GLN A 129 20.197 -9.645 -7.437 1.00 0.00 O ATOM 682 CB GLN A 129 19.140 -6.475 -6.722 1.00 0.00 C ATOM 683 CG GLN A 129 18.099 -5.847 -5.791 1.00 0.00 C ATOM 684 CD GLN A 129 16.838 -6.696 -5.737 1.00 0.00 C ATOM 685 OE1 GLN A 129 16.458 -7.187 -4.677 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.189 -6.870 -6.886 1.00 0.00 N ATOM 0 H GLN A 129 20.651 -6.320 -4.825 1.00 0.00 H new ATOM 0 HA GLN A 129 18.935 -8.367 -5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.929 -5.754 -6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.678 -6.734 -7.674 1.00 0.00 H new ATOM 0 HG2 GLN A 129 18.516 -5.744 -4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.852 -4.844 -6.139 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.543 -6.442 -7.742 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.338 -7.431 -6.911 1.00 0.00 H new ATOM 695 N CYS A 130 21.632 -7.910 -7.594 1.00 0.00 N ATOM 696 CA CYS A 130 22.494 -8.544 -8.585 1.00 0.00 C ATOM 697 C CYS A 130 22.985 -9.896 -8.069 1.00 0.00 C ATOM 698 O CYS A 130 22.906 -10.896 -8.779 1.00 0.00 O ATOM 699 CB CYS A 130 23.679 -7.626 -8.897 1.00 0.00 C ATOM 700 SG CYS A 130 23.075 -6.158 -9.770 1.00 0.00 S ATOM 0 H CYS A 130 21.931 -6.974 -7.320 1.00 0.00 H new ATOM 0 HA CYS A 130 21.927 -8.712 -9.500 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.183 -7.335 -7.975 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.412 -8.152 -9.508 1.00 0.00 H new ATOM 0 HG CYS A 130 24.074 -5.371 -10.038 1.00 0.00 H new ATOM 706 N ARG A 131 23.491 -9.921 -6.831 1.00 0.00 N ATOM 707 CA ARG A 131 23.999 -11.140 -6.224 1.00 0.00 C ATOM 708 C ARG A 131 22.910 -12.213 -6.210 1.00 0.00 C ATOM 709 O ARG A 131 23.146 -13.338 -6.639 1.00 0.00 O ATOM 710 CB ARG A 131 24.487 -10.826 -4.799 1.00 0.00 C ATOM 711 CG ARG A 131 25.265 -12.019 -4.222 1.00 0.00 C ATOM 712 CD ARG A 131 24.332 -12.915 -3.399 1.00 0.00 C ATOM 713 NE ARG A 131 25.007 -14.162 -3.019 1.00 0.00 N ATOM 714 CZ ARG A 131 24.347 -15.261 -2.609 1.00 0.00 C ATOM 715 NH1 ARG A 131 23.013 -15.238 -2.477 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.026 -16.382 -2.334 1.00 0.00 N ATOM 0 H ARG A 131 23.556 -9.099 -6.231 1.00 0.00 H new ATOM 0 HA ARG A 131 24.837 -11.524 -6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.124 -9.941 -4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.635 -10.596 -4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.713 -12.595 -5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.082 -11.660 -3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.008 -12.385 -2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.436 -13.143 -3.977 1.00 0.00 H new ATOM 0 HE ARG A 131 26.025 -14.197 -3.068 1.00 0.00 H new ATOM 0 HH11 ARG A 131 22.494 -14.385 -2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 131 22.517 -16.073 -2.166 1.00 0.00 H new ATOM 0 HH21 ARG A 131 26.041 -16.401 -2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 131 24.528 -17.216 -2.023 1.00 0.00 H new ATOM 730 N GLU A 132 21.718 -11.862 -5.711 1.00 0.00 N ATOM 731 CA GLU A 132 20.608 -12.800 -5.620 1.00 0.00 C ATOM 732 C GLU A 132 20.302 -13.389 -6.993 1.00 0.00 C ATOM 733 O GLU A 132 20.247 -14.608 -7.138 1.00 0.00 O ATOM 734 CB GLU A 132 19.386 -12.086 -5.034 1.00 0.00 C ATOM 735 CG GLU A 132 18.309 -13.114 -4.678 1.00 0.00 C ATOM 736 CD GLU A 132 17.114 -12.445 -4.012 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.347 -11.679 -3.050 1.00 0.00 O ATOM 738 OE2 GLU A 132 15.983 -12.710 -4.473 1.00 0.00 O ATOM 0 H GLU A 132 21.504 -10.927 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 132 20.877 -13.624 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.673 -11.523 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.993 -11.368 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 132 17.984 -13.632 -5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.727 -13.867 -4.010 1.00 0.00 H new ATOM 745 N ARG A 133 20.111 -12.533 -8.003 1.00 0.00 N ATOM 746 CA ARG A 133 19.840 -13.002 -9.355 1.00 0.00 C ATOM 747 C ARG A 133 20.920 -13.999 -9.766 1.00 0.00 C ATOM 748 O ARG A 133 20.624 -15.032 -10.368 1.00 0.00 O ATOM 749 CB ARG A 133 19.814 -11.804 -10.321 1.00 0.00 C ATOM 750 CG ARG A 133 19.380 -12.247 -11.727 1.00 0.00 C ATOM 751 CD ARG A 133 17.892 -12.606 -11.743 1.00 0.00 C ATOM 752 NE ARG A 133 17.429 -12.799 -13.123 1.00 0.00 N ATOM 753 CZ ARG A 133 16.166 -13.128 -13.439 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.267 -13.337 -12.475 1.00 0.00 N ATOM 755 NH2 ARG A 133 15.807 -13.241 -14.721 1.00 0.00 N ATOM 0 H ARG A 133 20.140 -11.518 -7.905 1.00 0.00 H new ATOM 0 HA ARG A 133 18.869 -13.497 -9.390 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.129 -11.044 -9.946 1.00 0.00 H new ATOM 0 HB3 ARG A 133 20.802 -11.347 -10.368 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.575 -11.448 -12.442 1.00 0.00 H new ATOM 0 HG3 ARG A 133 19.971 -13.107 -12.042 1.00 0.00 H new ATOM 0 HD2 ARG A 133 17.724 -13.515 -11.165 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.315 -11.814 -11.266 1.00 0.00 H new ATOM 0 HE ARG A 133 18.101 -12.677 -13.880 1.00 0.00 H new ATOM 0 HH11 ARG A 133 15.539 -13.247 -11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.308 -13.587 -12.717 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.492 -13.077 -15.459 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.848 -13.491 -14.962 1.00 0.00 H new ATOM 769 N TRP A 134 22.177 -13.678 -9.437 1.00 0.00 N ATOM 770 CA TRP A 134 23.310 -14.499 -9.802 1.00 0.00 C ATOM 771 C TRP A 134 23.509 -15.703 -8.871 1.00 0.00 C ATOM 772 O TRP A 134 24.552 -16.349 -8.941 1.00 0.00 O ATOM 773 CB TRP A 134 24.554 -13.625 -9.780 1.00 0.00 C ATOM 774 CG TRP A 134 25.649 -14.154 -10.619 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.791 -14.695 -10.178 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.718 -14.218 -12.061 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.576 -15.085 -11.225 1.00 0.00 N ATOM 778 CE2 TRP A 134 26.955 -14.823 -12.427 1.00 0.00 C ATOM 779 CE3 TRP A 134 24.859 -13.828 -13.106 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.316 -15.039 -13.753 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.213 -14.038 -14.443 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.438 -14.653 -14.771 1.00 0.00 C ATOM 0 H TRP A 134 22.425 -12.840 -8.911 1.00 0.00 H new ATOM 0 HA TRP A 134 23.123 -14.906 -10.796 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.293 -12.624 -10.122 1.00 0.00 H new ATOM 0 HB3 TRP A 134 24.905 -13.529 -8.753 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.055 -14.808 -9.137 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.497 -15.512 -11.130 1.00 0.00 H new ATOM 0 HE3 TRP A 134 23.914 -13.360 -12.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.263 -15.499 -13.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.542 -13.726 -15.230 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.698 -14.826 -15.805 1.00 0.00 H new ATOM 793 N HIS A 135 22.538 -16.017 -8.005 1.00 0.00 N ATOM 794 CA HIS A 135 22.668 -17.157 -7.097 1.00 0.00 C ATOM 795 C HIS A 135 21.321 -17.865 -6.915 1.00 0.00 C ATOM 796 O HIS A 135 21.129 -18.589 -5.940 1.00 0.00 O ATOM 797 CB HIS A 135 23.249 -16.679 -5.760 1.00 0.00 C ATOM 798 CG HIS A 135 24.752 -16.545 -5.812 1.00 0.00 C ATOM 799 ND1 HIS A 135 25.605 -17.634 -5.669 1.00 0.00 N ATOM 800 CD2 HIS A 135 25.585 -15.470 -5.999 1.00 0.00 C ATOM 801 CE1 HIS A 135 26.863 -17.160 -5.771 1.00 0.00 C ATOM 802 NE2 HIS A 135 26.921 -15.843 -5.971 1.00 0.00 N ATOM 0 H HIS A 135 21.662 -15.502 -7.916 1.00 0.00 H new ATOM 0 HA HIS A 135 23.353 -17.888 -7.527 1.00 0.00 H new ATOM 0 HB2 HIS A 135 22.808 -15.718 -5.496 1.00 0.00 H new ATOM 0 HB3 HIS A 135 22.975 -17.382 -4.973 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.242 -14.457 -6.150 1.00 0.00 H new ATOM 0 HE1 HIS A 135 27.739 -17.787 -5.698 1.00 0.00 H new ATOM 0 HE2 HIS A 135 27.746 -15.253 -6.077 1.00 0.00 H new ATOM 810 N ASN A 136 20.400 -17.668 -7.868 1.00 0.00 N ATOM 811 CA ASN A 136 19.105 -18.343 -7.861 1.00 0.00 C ATOM 812 C ASN A 136 18.978 -19.172 -9.119 1.00 0.00 C ATOM 813 O ASN A 136 18.993 -20.399 -9.074 1.00 0.00 O ATOM 814 CB ASN A 136 17.971 -17.313 -7.813 1.00 0.00 C ATOM 815 CG ASN A 136 17.649 -16.933 -6.386 1.00 0.00 C ATOM 816 OD1 ASN A 136 16.586 -17.267 -5.872 1.00 0.00 O ATOM 817 ND2 ASN A 136 18.569 -16.235 -5.749 1.00 0.00 N ATOM 0 H ASN A 136 20.535 -17.039 -8.659 1.00 0.00 H new ATOM 0 HA ASN A 136 19.036 -18.983 -6.981 1.00 0.00 H new ATOM 0 HB2 ASN A 136 18.258 -16.424 -8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.082 -17.721 -8.294 1.00 0.00 H new ATOM 0 HD21 ASN A 136 18.413 -15.947 -4.783 1.00 0.00 H new ATOM 0 HD22 ASN A 136 19.437 -15.983 -6.222 1.00 0.00 H new ATOM 824 N HIS A 137 18.842 -18.479 -10.243 1.00 0.00 N ATOM 825 CA HIS A 137 18.663 -19.119 -11.538 1.00 0.00 C ATOM 826 C HIS A 137 20.004 -19.590 -12.110 1.00 0.00 C ATOM 827 O HIS A 137 20.285 -20.786 -12.111 1.00 0.00 O ATOM 828 CB HIS A 137 17.979 -18.141 -12.494 1.00 0.00 C ATOM 829 CG HIS A 137 16.719 -17.557 -11.926 1.00 0.00 C ATOM 830 ND1 HIS A 137 15.685 -18.331 -11.413 1.00 0.00 N ATOM 831 CD2 HIS A 137 16.304 -16.266 -11.776 1.00 0.00 C ATOM 832 CE1 HIS A 137 14.732 -17.473 -10.995 1.00 0.00 C ATOM 833 NE2 HIS A 137 15.050 -16.191 -11.190 1.00 0.00 N ATOM 0 H HIS A 137 18.853 -17.460 -10.281 1.00 0.00 H new ATOM 0 HA HIS A 137 18.034 -20.000 -11.414 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.670 -17.334 -12.737 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.747 -18.654 -13.427 1.00 0.00 H new ATOM 0 HD2 HIS A 137 16.883 -15.406 -12.078 1.00 0.00 H new ATOM 0 HE1 HIS A 137 13.803 -17.792 -10.546 1.00 0.00 H new ATOM 0 HE2 HIS A 137 14.504 -15.360 -10.963 1.00 0.00 H new ATOM 841 N LEU A 138 20.822 -18.648 -12.610 1.00 0.00 N ATOM 842 CA LEU A 138 22.100 -18.975 -13.236 1.00 0.00 C ATOM 843 C LEU A 138 23.262 -18.538 -12.344 1.00 0.00 C ATOM 844 O LEU A 138 23.176 -17.524 -11.652 1.00 0.00 O ATOM 845 CB LEU A 138 22.188 -18.308 -14.624 1.00 0.00 C ATOM 846 CG LEU A 138 21.817 -16.813 -14.547 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.733 -16.010 -15.465 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.366 -16.607 -14.999 1.00 0.00 C ATOM 0 H LEU A 138 20.612 -17.650 -12.589 1.00 0.00 H new ATOM 0 HA LEU A 138 22.167 -20.055 -13.365 1.00 0.00 H new ATOM 0 HB2 LEU A 138 23.198 -18.415 -15.019 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.519 -18.816 -15.318 1.00 0.00 H new ATOM 0 HG LEU A 138 21.931 -16.477 -13.516 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.469 -14.954 -15.409 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.769 -16.142 -15.152 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.617 -16.359 -16.491 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.114 -15.548 -14.941 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.253 -16.951 -16.027 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.699 -17.175 -14.351 1.00 0.00 H new ATOM 860 N ASN A 139 24.353 -19.318 -12.370 1.00 0.00 N ATOM 861 CA ASN A 139 25.546 -19.028 -11.584 1.00 0.00 C ATOM 862 C ASN A 139 26.726 -19.857 -12.116 1.00 0.00 C ATOM 863 O ASN A 139 27.185 -20.778 -11.447 1.00 0.00 O ATOM 864 CB ASN A 139 25.264 -19.346 -10.108 1.00 0.00 C ATOM 865 CG ASN A 139 26.498 -19.115 -9.239 1.00 0.00 C ATOM 866 OD1 ASN A 139 27.073 -20.060 -8.707 1.00 0.00 O ATOM 867 ND2 ASN A 139 26.902 -17.857 -9.093 1.00 0.00 N ATOM 0 H ASN A 139 24.426 -20.163 -12.937 1.00 0.00 H new ATOM 0 HA ASN A 139 25.807 -17.973 -11.668 1.00 0.00 H new ATOM 0 HB2 ASN A 139 24.444 -18.722 -9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 139 24.940 -20.383 -10.014 1.00 0.00 H new ATOM 0 HD21 ASN A 139 27.720 -17.647 -8.521 1.00 0.00 H new ATOM 0 HD22 ASN A 139 26.394 -17.102 -9.553 1.00 0.00 H new ATOM 874 N PRO A 140 27.220 -19.534 -13.329 1.00 0.00 N ATOM 875 CA PRO A 140 28.339 -20.232 -13.927 1.00 0.00 C ATOM 876 C PRO A 140 29.625 -19.931 -13.153 1.00 0.00 C ATOM 877 O PRO A 140 30.160 -20.808 -12.479 1.00 0.00 O ATOM 878 CB PRO A 140 28.418 -19.720 -15.370 1.00 0.00 C ATOM 879 CG PRO A 140 27.516 -18.481 -15.442 1.00 0.00 C ATOM 880 CD PRO A 140 26.688 -18.471 -14.156 1.00 0.00 C ATOM 0 HA PRO A 140 28.212 -21.314 -13.903 1.00 0.00 H new ATOM 0 HB2 PRO A 140 29.445 -19.469 -15.637 1.00 0.00 H new ATOM 0 HB3 PRO A 140 28.084 -20.484 -16.072 1.00 0.00 H new ATOM 0 HG2 PRO A 140 28.112 -17.572 -15.527 1.00 0.00 H new ATOM 0 HG3 PRO A 140 26.870 -18.522 -16.319 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.764 -17.508 -13.651 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.632 -18.635 -14.371 1.00 0.00 H new ATOM 888 N GLU A 141 30.113 -18.681 -13.262 1.00 0.00 N ATOM 889 CA GLU A 141 31.333 -18.239 -12.586 1.00 0.00 C ATOM 890 C GLU A 141 32.463 -19.252 -12.799 1.00 0.00 C ATOM 891 O GLU A 141 33.141 -19.642 -11.858 1.00 0.00 O ATOM 892 CB GLU A 141 31.047 -18.032 -11.092 1.00 0.00 C ATOM 893 CG GLU A 141 29.988 -16.939 -10.917 1.00 0.00 C ATOM 894 CD GLU A 141 29.779 -16.604 -9.438 1.00 0.00 C ATOM 895 OE1 GLU A 141 29.645 -17.560 -8.646 1.00 0.00 O ATOM 896 OE2 GLU A 141 29.755 -15.393 -9.122 1.00 0.00 O ATOM 0 H GLU A 141 29.668 -17.954 -13.823 1.00 0.00 H new ATOM 0 HA GLU A 141 31.657 -17.290 -13.013 1.00 0.00 H new ATOM 0 HB2 GLU A 141 30.699 -18.964 -10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 141 31.963 -17.751 -10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 141 30.294 -16.042 -11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 141 29.046 -17.268 -11.355 1.00 0.00 H new HETATM 903 N NH2 A 142 32.666 -19.674 -14.042 1.00 0.00 N TER 906 NH2 A 142