USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 791 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 LYS NZ :NH3+ -119:sc= 0.0871 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot 130:sc= 0.0818 USER MOD Set 2.1: A 35 ASN : amide:sc= 0.825 K(o=1.8,f=-3.5) USER MOD Set 2.2: A 36 LYS NZ :NH3+ 173:sc= 0.949 (180deg=-0.052) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -172:sc= 1.21 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 14 ASN : amide:sc= -0.022 K(o=-0.022,f=-8.9!) USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0652) USER MOD Single : A 24 ASN : amide:sc= 1.98 K(o=2,f=-0.77) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 29 TYR OH : rot 148:sc= 1.26 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 48:sc= -0.268 USER MOD Single : A 42 MET CE :methyl -165:sc= -0.0344 (180deg=-0.286) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0646) USER MOD Single : A 45 THR OG1 : rot -165:sc= 0.928 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.063) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 1.69 K(o=1.7,f=-8.9!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0567 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0124) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= -0.148 (180deg=-0.39) USER MOD Single : A 90 ASN : amide:sc= 0.505 K(o=0.51,f=-0.0013) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.557 -14.245 -5.305 1.00 0.00 N ATOM 2 CA GLY A 1 11.105 -14.171 -5.540 1.00 0.00 C ATOM 3 C GLY A 1 10.384 -13.589 -4.327 1.00 0.00 C ATOM 4 O GLY A 1 10.417 -14.188 -3.254 1.00 0.00 O ATOM 0 H1 GLY A 1 13.025 -14.644 -6.144 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.928 -13.291 -5.123 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.745 -14.853 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.906 -13.554 -6.416 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.717 -15.166 -5.756 1.00 0.00 H new ATOM 10 N GLU A 2 9.764 -12.416 -4.488 1.00 0.00 N ATOM 11 CA GLU A 2 9.102 -11.687 -3.415 1.00 0.00 C ATOM 12 C GLU A 2 7.781 -11.119 -3.935 1.00 0.00 C ATOM 13 O GLU A 2 7.747 -10.001 -4.450 1.00 0.00 O ATOM 14 CB GLU A 2 10.022 -10.567 -2.918 1.00 0.00 C ATOM 15 CG GLU A 2 11.243 -11.099 -2.154 1.00 0.00 C ATOM 16 CD GLU A 2 12.081 -9.958 -1.587 1.00 0.00 C ATOM 17 OE1 GLU A 2 12.689 -9.251 -2.420 1.00 0.00 O ATOM 18 OE2 GLU A 2 12.088 -9.798 -0.346 1.00 0.00 O ATOM 0 H GLU A 2 9.710 -11.941 -5.389 1.00 0.00 H new ATOM 0 HA GLU A 2 8.890 -12.355 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.360 -9.976 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.456 -9.898 -2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.913 -11.749 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.855 -11.707 -2.820 1.00 0.00 H new ATOM 25 N TRP A 3 6.711 -11.904 -3.789 1.00 0.00 N ATOM 26 CA TRP A 3 5.328 -11.517 -4.029 1.00 0.00 C ATOM 27 C TRP A 3 4.451 -12.500 -3.266 1.00 0.00 C ATOM 28 O TRP A 3 4.423 -13.679 -3.615 1.00 0.00 O ATOM 29 CB TRP A 3 5.015 -11.530 -5.525 1.00 0.00 C ATOM 30 CG TRP A 3 3.571 -11.503 -5.941 1.00 0.00 C ATOM 31 CD1 TRP A 3 2.961 -12.458 -6.678 1.00 0.00 C ATOM 32 CD2 TRP A 3 2.566 -10.460 -5.749 1.00 0.00 C ATOM 33 NE1 TRP A 3 1.685 -12.052 -7.007 1.00 0.00 N ATOM 34 CE2 TRP A 3 1.401 -10.806 -6.492 1.00 0.00 C ATOM 35 CE3 TRP A 3 2.523 -9.249 -5.034 1.00 0.00 C ATOM 36 CZ2 TRP A 3 0.283 -9.959 -6.573 1.00 0.00 C ATOM 37 CZ3 TRP A 3 1.433 -8.370 -5.136 1.00 0.00 C ATOM 38 CH2 TRP A 3 0.314 -8.719 -5.913 1.00 0.00 C ATOM 0 H TRP A 3 6.795 -12.874 -3.485 1.00 0.00 H new ATOM 0 HA TRP A 3 5.141 -10.500 -3.683 1.00 0.00 H new ATOM 0 HB2 TRP A 3 5.510 -10.671 -5.978 1.00 0.00 H new ATOM 0 HB3 TRP A 3 5.470 -12.423 -5.954 1.00 0.00 H new ATOM 0 HD1 TRP A 3 3.407 -13.399 -6.966 1.00 0.00 H new ATOM 0 HE1 TRP A 3 1.033 -12.605 -7.563 1.00 0.00 H new ATOM 0 HE3 TRP A 3 3.350 -8.989 -4.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -0.589 -10.257 -7.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.454 -7.423 -4.616 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -0.518 -8.037 -6.002 1.00 0.00 H new ATOM 49 N GLU A 4 3.783 -12.045 -2.206 1.00 0.00 N ATOM 50 CA GLU A 4 2.920 -12.895 -1.405 1.00 0.00 C ATOM 51 C GLU A 4 2.034 -12.002 -0.547 1.00 0.00 C ATOM 52 O GLU A 4 2.287 -10.800 -0.423 1.00 0.00 O ATOM 53 CB GLU A 4 3.763 -13.857 -0.540 1.00 0.00 C ATOM 54 CG GLU A 4 3.110 -15.227 -0.298 1.00 0.00 C ATOM 55 CD GLU A 4 2.928 -16.021 -1.590 1.00 0.00 C ATOM 56 OE1 GLU A 4 3.922 -16.642 -2.022 1.00 0.00 O ATOM 57 OE2 GLU A 4 1.791 -16.000 -2.111 1.00 0.00 O ATOM 0 H GLU A 4 3.829 -11.078 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 4 2.292 -13.512 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.729 -14.008 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.957 -13.385 0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.724 -15.802 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.140 -15.085 0.178 1.00 0.00 H new ATOM 64 N ILE A 5 1.002 -12.609 0.037 1.00 0.00 N ATOM 65 CA ILE A 5 0.165 -11.972 1.038 1.00 0.00 C ATOM 66 C ILE A 5 1.018 -11.777 2.291 1.00 0.00 C ATOM 67 O ILE A 5 1.826 -12.646 2.618 1.00 0.00 O ATOM 68 CB ILE A 5 -1.088 -12.820 1.336 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.766 -13.369 0.065 1.00 0.00 C ATOM 70 CG2 ILE A 5 -2.117 -12.011 2.138 1.00 0.00 C ATOM 71 CD1 ILE A 5 -1.473 -14.858 -0.150 1.00 0.00 C ATOM 0 H ILE A 5 0.725 -13.567 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.195 -11.009 0.676 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.737 -13.670 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.843 -13.219 0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.422 -12.804 -0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.992 -12.630 2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.675 -11.695 3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.416 -11.133 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.972 -15.200 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.398 -15.007 -0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.841 -15.428 0.703 1.00 0.00 H new ATOM 83 N ILE A 6 0.847 -10.651 2.982 1.00 0.00 N ATOM 84 CA ILE A 6 1.540 -10.350 4.219 1.00 0.00 C ATOM 85 C ILE A 6 0.528 -10.080 5.329 1.00 0.00 C ATOM 86 O ILE A 6 -0.635 -9.777 5.066 1.00 0.00 O ATOM 87 CB ILE A 6 2.554 -9.214 3.999 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.000 -7.906 3.402 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.682 -9.726 3.092 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.290 -7.018 4.427 1.00 0.00 C ATOM 0 H ILE A 6 0.209 -9.912 2.686 1.00 0.00 H new ATOM 0 HA ILE A 6 2.126 -11.209 4.546 1.00 0.00 H new ATOM 0 HB ILE A 6 2.894 -8.947 5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.820 -7.345 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.303 -8.149 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.408 -8.929 2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.175 -10.574 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.265 -10.039 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.926 -6.115 3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.449 -7.561 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.989 -6.745 5.218 1.00 0.00 H new ATOM 102 N ASP A 7 0.966 -10.238 6.580 1.00 0.00 N ATOM 103 CA ASP A 7 0.122 -10.081 7.745 1.00 0.00 C ATOM 104 C ASP A 7 -0.241 -8.613 7.922 1.00 0.00 C ATOM 105 O ASP A 7 0.543 -7.717 7.610 1.00 0.00 O ATOM 106 CB ASP A 7 0.846 -10.588 9.000 1.00 0.00 C ATOM 107 CG ASP A 7 1.183 -12.070 8.905 1.00 0.00 C ATOM 108 OD1 ASP A 7 2.275 -12.362 8.369 1.00 0.00 O ATOM 109 OD2 ASP A 7 0.345 -12.877 9.354 1.00 0.00 O ATOM 0 H ASP A 7 1.931 -10.482 6.805 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.787 -10.666 7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.763 -10.016 9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.220 -10.414 9.875 1.00 0.00 H new ATOM 114 N ILE A 8 -1.428 -8.376 8.463 1.00 0.00 N ATOM 115 CA ILE A 8 -1.842 -7.087 8.956 1.00 0.00 C ATOM 116 C ILE A 8 -1.310 -6.946 10.388 1.00 0.00 C ATOM 117 O ILE A 8 -1.313 -7.907 11.155 1.00 0.00 O ATOM 118 CB ILE A 8 -3.370 -6.945 8.828 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.222 -8.229 8.904 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.676 -6.276 7.483 1.00 0.00 C ATOM 121 CD1 ILE A 8 -4.141 -8.960 10.246 1.00 0.00 C ATOM 0 H ILE A 8 -2.141 -9.098 8.570 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.428 -6.267 8.369 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.654 -6.368 9.708 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.263 -7.973 8.705 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.905 -8.909 8.113 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.754 -6.164 7.369 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.204 -5.294 7.449 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.288 -6.893 6.673 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.769 -9.850 10.214 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.109 -9.251 10.440 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.488 -8.300 11.041 1.00 0.00 H new ATOM 133 N GLY A 9 -0.785 -5.770 10.732 1.00 0.00 N ATOM 134 CA GLY A 9 -0.059 -5.538 11.968 1.00 0.00 C ATOM 135 C GLY A 9 0.521 -4.125 11.914 1.00 0.00 C ATOM 136 O GLY A 9 0.190 -3.393 10.980 1.00 0.00 O ATOM 0 H GLY A 9 -0.857 -4.940 10.144 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.722 -5.646 12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.737 -6.273 12.087 1.00 0.00 H new ATOM 140 N PRO A 10 1.385 -3.736 12.866 1.00 0.00 N ATOM 141 CA PRO A 10 1.883 -2.372 12.996 1.00 0.00 C ATOM 142 C PRO A 10 2.509 -1.838 11.705 1.00 0.00 C ATOM 143 O PRO A 10 2.263 -0.697 11.330 1.00 0.00 O ATOM 144 CB PRO A 10 2.856 -2.379 14.181 1.00 0.00 C ATOM 145 CG PRO A 10 3.199 -3.856 14.380 1.00 0.00 C ATOM 146 CD PRO A 10 1.933 -4.575 13.917 1.00 0.00 C ATOM 0 HA PRO A 10 1.062 -1.680 13.183 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.747 -1.789 13.967 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.398 -1.953 15.074 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.067 -4.150 13.791 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.430 -4.079 15.422 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.160 -5.574 13.546 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.224 -4.693 14.737 1.00 0.00 H new ATOM 154 N PHE A 11 3.306 -2.651 11.011 1.00 0.00 N ATOM 155 CA PHE A 11 3.912 -2.281 9.740 1.00 0.00 C ATOM 156 C PHE A 11 2.840 -1.910 8.705 1.00 0.00 C ATOM 157 O PHE A 11 2.875 -0.851 8.078 1.00 0.00 O ATOM 158 CB PHE A 11 4.778 -3.451 9.257 1.00 0.00 C ATOM 159 CG PHE A 11 5.448 -3.225 7.921 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.675 -2.538 7.852 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.843 -3.698 6.744 1.00 0.00 C ATOM 162 CE1 PHE A 11 7.311 -2.356 6.614 1.00 0.00 C ATOM 163 CE2 PHE A 11 5.476 -3.506 5.504 1.00 0.00 C ATOM 164 CZ PHE A 11 6.713 -2.846 5.439 1.00 0.00 C ATOM 0 H PHE A 11 3.549 -3.592 11.321 1.00 0.00 H new ATOM 0 HA PHE A 11 4.538 -1.398 9.872 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.545 -3.652 10.005 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.156 -4.344 9.191 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.127 -2.151 8.753 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.893 -4.209 6.792 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.259 -1.840 6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.010 -3.867 4.599 1.00 0.00 H new ATOM 0 HZ PHE A 11 7.206 -2.714 4.487 1.00 0.00 H new ATOM 174 N THR A 12 1.873 -2.801 8.509 1.00 0.00 N ATOM 175 CA THR A 12 0.829 -2.653 7.507 1.00 0.00 C ATOM 176 C THR A 12 -0.072 -1.477 7.875 1.00 0.00 C ATOM 177 O THR A 12 -0.442 -0.671 7.025 1.00 0.00 O ATOM 178 CB THR A 12 0.077 -3.991 7.424 1.00 0.00 C ATOM 179 OG1 THR A 12 0.981 -5.025 7.792 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.473 -4.238 6.020 1.00 0.00 C ATOM 0 H THR A 12 1.794 -3.660 9.053 1.00 0.00 H new ATOM 0 HA THR A 12 1.236 -2.426 6.522 1.00 0.00 H new ATOM 0 HB THR A 12 -0.777 -3.970 8.101 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.567 -5.897 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.999 -5.193 5.998 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.163 -3.438 5.754 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.350 -4.260 5.306 1.00 0.00 H new ATOM 188 N GLN A 13 -0.393 -1.357 9.164 1.00 0.00 N ATOM 189 CA GLN A 13 -1.107 -0.226 9.707 1.00 0.00 C ATOM 190 C GLN A 13 -0.345 1.061 9.407 1.00 0.00 C ATOM 191 O GLN A 13 -0.936 1.983 8.865 1.00 0.00 O ATOM 192 CB GLN A 13 -1.312 -0.443 11.209 1.00 0.00 C ATOM 193 CG GLN A 13 -2.392 -1.508 11.461 1.00 0.00 C ATOM 194 CD GLN A 13 -2.475 -1.926 12.927 1.00 0.00 C ATOM 195 OE1 GLN A 13 -1.473 -1.972 13.631 1.00 0.00 O ATOM 196 NE2 GLN A 13 -3.673 -2.249 13.403 1.00 0.00 N ATOM 0 H GLN A 13 -0.155 -2.061 9.863 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.088 -0.133 9.242 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.374 -0.754 11.668 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.602 0.496 11.681 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.360 -1.121 11.142 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.182 -2.385 10.849 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.492 -2.203 12.797 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.773 -2.543 14.374 1.00 0.00 H new ATOM 205 N ASN A 14 0.955 1.127 9.711 1.00 0.00 N ATOM 206 CA ASN A 14 1.820 2.265 9.391 1.00 0.00 C ATOM 207 C ASN A 14 1.641 2.656 7.924 1.00 0.00 C ATOM 208 O ASN A 14 1.299 3.801 7.631 1.00 0.00 O ATOM 209 CB ASN A 14 3.277 1.928 9.768 1.00 0.00 C ATOM 210 CG ASN A 14 4.338 2.926 9.296 1.00 0.00 C ATOM 211 OD1 ASN A 14 4.224 3.558 8.249 1.00 0.00 O ATOM 212 ND2 ASN A 14 5.438 3.036 10.031 1.00 0.00 N ATOM 0 H ASN A 14 1.445 0.375 10.196 1.00 0.00 H new ATOM 0 HA ASN A 14 1.540 3.139 9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.341 1.845 10.853 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.520 0.948 9.358 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.195 3.648 9.727 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.526 2.508 10.899 1.00 0.00 H new ATOM 219 N LEU A 15 1.823 1.704 7.005 1.00 0.00 N ATOM 220 CA LEU A 15 1.612 1.969 5.584 1.00 0.00 C ATOM 221 C LEU A 15 0.206 2.517 5.327 1.00 0.00 C ATOM 222 O LEU A 15 0.043 3.487 4.591 1.00 0.00 O ATOM 223 CB LEU A 15 1.879 0.707 4.752 1.00 0.00 C ATOM 224 CG LEU A 15 3.380 0.475 4.518 1.00 0.00 C ATOM 225 CD1 LEU A 15 3.605 -0.969 4.068 1.00 0.00 C ATOM 226 CD2 LEU A 15 3.916 1.404 3.420 1.00 0.00 C ATOM 0 H LEU A 15 2.114 0.750 7.220 1.00 0.00 H new ATOM 0 HA LEU A 15 2.323 2.734 5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.454 -0.158 5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.372 0.793 3.791 1.00 0.00 H new ATOM 0 HG LEU A 15 3.903 0.680 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.669 -1.137 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.247 -1.651 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.060 -1.151 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.980 1.219 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.384 1.211 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.765 2.442 3.716 1.00 0.00 H new ATOM 238 N GLY A 16 -0.804 1.915 5.952 1.00 0.00 N ATOM 239 CA GLY A 16 -2.189 2.352 5.838 1.00 0.00 C ATOM 240 C GLY A 16 -2.379 3.807 6.284 1.00 0.00 C ATOM 241 O GLY A 16 -2.918 4.624 5.537 1.00 0.00 O ATOM 0 H GLY A 16 -0.680 1.103 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.517 2.245 4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.823 1.703 6.442 1.00 0.00 H new ATOM 245 N LYS A 17 -1.935 4.140 7.498 1.00 0.00 N ATOM 246 CA LYS A 17 -1.989 5.472 8.050 1.00 0.00 C ATOM 247 C LYS A 17 -1.282 6.433 7.111 1.00 0.00 C ATOM 248 O LYS A 17 -1.810 7.491 6.805 1.00 0.00 O ATOM 249 CB LYS A 17 -1.274 5.495 9.409 1.00 0.00 C ATOM 250 CG LYS A 17 -2.162 5.238 10.631 1.00 0.00 C ATOM 251 CD LYS A 17 -2.332 3.739 10.877 1.00 0.00 C ATOM 252 CE LYS A 17 -3.085 3.458 12.182 1.00 0.00 C ATOM 253 NZ LYS A 17 -2.273 3.785 13.368 1.00 0.00 N ATOM 0 H LYS A 17 -1.517 3.461 8.134 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.031 5.768 8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.482 4.747 9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.793 6.466 9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.721 5.707 11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.138 5.699 10.479 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.872 3.293 10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.352 3.263 10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.007 4.040 12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.371 2.407 12.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.746 3.426 14.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.336 3.343 13.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.164 4.817 13.440 1.00 0.00 H new ATOM 267 N PHE A 18 -0.082 6.067 6.666 1.00 0.00 N ATOM 268 CA PHE A 18 0.712 6.864 5.755 1.00 0.00 C ATOM 269 C PHE A 18 -0.073 7.150 4.473 1.00 0.00 C ATOM 270 O PHE A 18 -0.168 8.298 4.040 1.00 0.00 O ATOM 271 CB PHE A 18 2.048 6.140 5.524 1.00 0.00 C ATOM 272 CG PHE A 18 2.750 6.513 4.243 1.00 0.00 C ATOM 273 CD1 PHE A 18 3.565 7.656 4.190 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.387 5.848 3.057 1.00 0.00 C ATOM 275 CE1 PHE A 18 3.991 8.153 2.947 1.00 0.00 C ATOM 276 CE2 PHE A 18 2.745 6.389 1.816 1.00 0.00 C ATOM 277 CZ PHE A 18 3.557 7.529 1.766 1.00 0.00 C ATOM 0 H PHE A 18 0.367 5.192 6.937 1.00 0.00 H new ATOM 0 HA PHE A 18 0.938 7.844 6.176 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.712 6.353 6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.869 5.065 5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.863 8.151 5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.833 4.922 3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.648 9.009 2.900 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.397 5.930 0.903 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.853 7.933 0.809 1.00 0.00 H new ATOM 287 N ALA A 19 -0.673 6.114 3.883 1.00 0.00 N ATOM 288 CA ALA A 19 -1.461 6.261 2.673 1.00 0.00 C ATOM 289 C ALA A 19 -2.597 7.250 2.906 1.00 0.00 C ATOM 290 O ALA A 19 -2.767 8.203 2.145 1.00 0.00 O ATOM 291 CB ALA A 19 -1.984 4.901 2.211 1.00 0.00 C ATOM 0 H ALA A 19 -0.623 5.158 4.234 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.829 6.658 1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.573 5.027 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.143 4.237 2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.609 4.467 2.992 1.00 0.00 H new ATOM 297 N VAL A 20 -3.361 7.034 3.976 1.00 0.00 N ATOM 298 CA VAL A 20 -4.483 7.905 4.293 1.00 0.00 C ATOM 299 C VAL A 20 -3.995 9.321 4.609 1.00 0.00 C ATOM 300 O VAL A 20 -4.652 10.285 4.227 1.00 0.00 O ATOM 301 CB VAL A 20 -5.335 7.301 5.420 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.439 8.274 5.858 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.010 6.015 4.918 1.00 0.00 C ATOM 0 H VAL A 20 -3.222 6.266 4.633 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.130 7.985 3.420 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.677 7.094 6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.027 7.822 6.657 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.987 9.198 6.219 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.087 8.494 5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.615 5.586 5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.648 6.248 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.247 5.298 4.615 1.00 0.00 H new ATOM 313 N ASP A 21 -2.857 9.461 5.290 1.00 0.00 N ATOM 314 CA ASP A 21 -2.268 10.741 5.643 1.00 0.00 C ATOM 315 C ASP A 21 -1.923 11.519 4.377 1.00 0.00 C ATOM 316 O ASP A 21 -2.295 12.679 4.238 1.00 0.00 O ATOM 317 CB ASP A 21 -1.036 10.526 6.530 1.00 0.00 C ATOM 318 CG ASP A 21 -0.275 11.832 6.741 1.00 0.00 C ATOM 319 OD1 ASP A 21 -0.728 12.620 7.597 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.741 12.019 6.035 1.00 0.00 O ATOM 0 H ASP A 21 -2.310 8.664 5.617 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.987 11.330 6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.344 10.122 7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.378 9.788 6.071 1.00 0.00 H new ATOM 325 N GLU A 22 -1.232 10.871 3.442 1.00 0.00 N ATOM 326 CA GLU A 22 -0.880 11.453 2.158 1.00 0.00 C ATOM 327 C GLU A 22 -2.158 11.852 1.415 1.00 0.00 C ATOM 328 O GLU A 22 -2.287 12.985 0.950 1.00 0.00 O ATOM 329 CB GLU A 22 -0.018 10.455 1.368 1.00 0.00 C ATOM 330 CG GLU A 22 0.561 11.076 0.087 1.00 0.00 C ATOM 331 CD GLU A 22 2.077 10.907 0.011 1.00 0.00 C ATOM 332 OE1 GLU A 22 2.515 9.841 -0.472 1.00 0.00 O ATOM 333 OE2 GLU A 22 2.774 11.845 0.452 1.00 0.00 O ATOM 0 H GLU A 22 -0.898 9.914 3.561 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.288 12.358 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.797 10.102 1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.620 9.584 1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.099 10.611 -0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.311 12.136 0.052 1.00 0.00 H new ATOM 340 N GLU A 23 -3.118 10.924 1.337 1.00 0.00 N ATOM 341 CA GLU A 23 -4.403 11.173 0.703 1.00 0.00 C ATOM 342 C GLU A 23 -5.043 12.422 1.307 1.00 0.00 C ATOM 343 O GLU A 23 -5.449 13.315 0.574 1.00 0.00 O ATOM 344 CB GLU A 23 -5.304 9.937 0.843 1.00 0.00 C ATOM 345 CG GLU A 23 -6.449 9.918 -0.177 1.00 0.00 C ATOM 346 CD GLU A 23 -7.431 11.073 -0.017 1.00 0.00 C ATOM 347 OE1 GLU A 23 -8.043 11.152 1.069 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.555 11.855 -0.986 1.00 0.00 O ATOM 0 H GLU A 23 -3.019 9.981 1.714 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.262 11.356 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.701 9.037 0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.720 9.908 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.029 9.947 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.991 8.977 -0.085 1.00 0.00 H new ATOM 355 N ASN A 24 -5.113 12.490 2.637 1.00 0.00 N ATOM 356 CA ASN A 24 -5.662 13.618 3.372 1.00 0.00 C ATOM 357 C ASN A 24 -4.911 14.893 3.005 1.00 0.00 C ATOM 358 O ASN A 24 -5.526 15.924 2.744 1.00 0.00 O ATOM 359 CB ASN A 24 -5.527 13.374 4.881 1.00 0.00 C ATOM 360 CG ASN A 24 -6.764 12.742 5.499 1.00 0.00 C ATOM 361 OD1 ASN A 24 -7.519 13.397 6.209 1.00 0.00 O ATOM 362 ND2 ASN A 24 -6.971 11.457 5.252 1.00 0.00 N ATOM 0 H ASN A 24 -4.780 11.741 3.243 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.715 13.726 3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.668 12.728 5.063 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.324 14.322 5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.778 10.983 5.657 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.323 10.941 4.657 1.00 0.00 H new ATOM 369 N LYS A 25 -3.577 14.828 3.027 1.00 0.00 N ATOM 370 CA LYS A 25 -2.735 15.992 2.816 1.00 0.00 C ATOM 371 C LYS A 25 -2.980 16.591 1.427 1.00 0.00 C ATOM 372 O LYS A 25 -3.001 17.811 1.282 1.00 0.00 O ATOM 373 CB LYS A 25 -1.269 15.613 3.063 1.00 0.00 C ATOM 374 CG LYS A 25 -0.359 16.844 3.151 1.00 0.00 C ATOM 375 CD LYS A 25 1.019 16.436 3.686 1.00 0.00 C ATOM 376 CE LYS A 25 1.936 17.657 3.811 1.00 0.00 C ATOM 377 NZ LYS A 25 3.227 17.296 4.423 1.00 0.00 N ATOM 0 H LYS A 25 -3.058 13.965 3.192 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.992 16.775 3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.194 15.041 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.923 14.964 2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.256 17.302 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.806 17.592 3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.909 15.957 4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.471 15.703 3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.107 18.089 2.825 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.447 18.422 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.826 18.143 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.064 16.906 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.703 16.584 3.834 1.00 0.00 H new ATOM 391 N ILE A 26 -3.172 15.744 0.413 1.00 0.00 N ATOM 392 CA ILE A 26 -3.526 16.207 -0.927 1.00 0.00 C ATOM 393 C ILE A 26 -4.993 16.667 -0.948 1.00 0.00 C ATOM 394 O ILE A 26 -5.294 17.773 -1.391 1.00 0.00 O ATOM 395 CB ILE A 26 -3.228 15.110 -1.967 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.741 14.704 -1.927 1.00 0.00 C ATOM 397 CG2 ILE A 26 -3.569 15.623 -3.375 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.450 13.447 -2.754 1.00 0.00 C ATOM 0 H ILE A 26 -3.087 14.731 0.497 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.914 17.068 -1.196 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.839 14.240 -1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.133 15.528 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.443 14.531 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.357 14.844 -4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.626 15.886 -3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.966 16.504 -3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.389 13.207 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.035 12.613 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.720 13.626 -3.795 1.00 0.00 H new ATOM 410 N GLY A 27 -5.908 15.809 -0.492 1.00 0.00 N ATOM 411 CA GLY A 27 -7.322 16.104 -0.300 1.00 0.00 C ATOM 412 C GLY A 27 -8.207 15.656 -1.464 1.00 0.00 C ATOM 413 O GLY A 27 -9.373 16.043 -1.524 1.00 0.00 O ATOM 0 H GLY A 27 -5.670 14.851 -0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.665 15.618 0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.444 17.177 -0.155 1.00 0.00 H new ATOM 417 N GLN A 28 -7.689 14.829 -2.382 1.00 0.00 N ATOM 418 CA GLN A 28 -8.428 14.380 -3.564 1.00 0.00 C ATOM 419 C GLN A 28 -9.783 13.771 -3.197 1.00 0.00 C ATOM 420 O GLN A 28 -10.785 14.066 -3.843 1.00 0.00 O ATOM 421 CB GLN A 28 -7.586 13.382 -4.369 1.00 0.00 C ATOM 422 CG GLN A 28 -6.553 14.122 -5.229 1.00 0.00 C ATOM 423 CD GLN A 28 -5.566 13.181 -5.913 1.00 0.00 C ATOM 424 OE1 GLN A 28 -5.664 11.964 -5.804 1.00 0.00 O ATOM 425 NE2 GLN A 28 -4.594 13.742 -6.625 1.00 0.00 N ATOM 0 H GLN A 28 -6.743 14.453 -2.323 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.626 15.257 -4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.079 12.695 -3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.235 12.781 -5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.072 14.709 -5.987 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.003 14.825 -4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.537 14.758 -6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.905 13.157 -7.098 1.00 0.00 H new ATOM 434 N TYR A 29 -9.812 12.935 -2.157 1.00 0.00 N ATOM 435 CA TYR A 29 -11.039 12.354 -1.622 1.00 0.00 C ATOM 436 C TYR A 29 -11.372 12.988 -0.268 1.00 0.00 C ATOM 437 O TYR A 29 -11.882 12.333 0.640 1.00 0.00 O ATOM 438 CB TYR A 29 -10.898 10.835 -1.517 1.00 0.00 C ATOM 439 CG TYR A 29 -10.949 10.089 -2.836 1.00 0.00 C ATOM 440 CD1 TYR A 29 -9.767 9.801 -3.543 1.00 0.00 C ATOM 441 CD2 TYR A 29 -12.180 9.588 -3.300 1.00 0.00 C ATOM 442 CE1 TYR A 29 -9.808 8.952 -4.665 1.00 0.00 C ATOM 443 CE2 TYR A 29 -12.220 8.746 -4.424 1.00 0.00 C ATOM 444 CZ TYR A 29 -11.029 8.393 -5.080 1.00 0.00 C ATOM 445 OH TYR A 29 -11.044 7.437 -6.050 1.00 0.00 O ATOM 0 H TYR A 29 -8.972 12.641 -1.659 1.00 0.00 H new ATOM 0 HA TYR A 29 -11.867 12.564 -2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.952 10.607 -1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.691 10.456 -0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.829 10.231 -3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -13.095 9.851 -2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.901 8.730 -5.207 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.166 8.370 -4.784 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.784 6.816 -5.886 1.00 0.00 H new ATOM 455 N GLY A 30 -11.100 14.282 -0.132 1.00 0.00 N ATOM 456 CA GLY A 30 -11.312 14.994 1.110 1.00 0.00 C ATOM 457 C GLY A 30 -10.409 14.446 2.213 1.00 0.00 C ATOM 458 O GLY A 30 -9.295 13.995 1.953 1.00 0.00 O ATOM 0 H GLY A 30 -10.726 14.861 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.112 16.055 0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.356 14.905 1.411 1.00 0.00 H new ATOM 462 N ARG A 31 -10.886 14.523 3.456 1.00 0.00 N ATOM 463 CA ARG A 31 -10.106 14.267 4.656 1.00 0.00 C ATOM 464 C ARG A 31 -10.609 12.976 5.305 1.00 0.00 C ATOM 465 O ARG A 31 -11.379 13.015 6.263 1.00 0.00 O ATOM 466 CB ARG A 31 -10.245 15.491 5.573 1.00 0.00 C ATOM 467 CG ARG A 31 -9.588 16.725 4.929 1.00 0.00 C ATOM 468 CD ARG A 31 -10.125 18.037 5.507 1.00 0.00 C ATOM 469 NE ARG A 31 -9.587 19.177 4.751 1.00 0.00 N ATOM 470 CZ ARG A 31 -10.150 20.392 4.661 1.00 0.00 C ATOM 471 NH1 ARG A 31 -11.234 20.697 5.381 1.00 0.00 N ATOM 472 NH2 ARG A 31 -9.615 21.300 3.838 1.00 0.00 N ATOM 0 H ARG A 31 -11.855 14.773 3.656 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.047 14.124 4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.299 15.691 5.764 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.779 15.285 6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.509 16.679 5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.762 16.706 3.853 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.214 18.044 5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.846 18.122 6.557 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.710 19.032 4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.642 20.003 6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.653 21.624 5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.789 21.066 3.288 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.033 22.227 3.760 1.00 0.00 H new ATOM 486 N LEU A 32 -10.228 11.827 4.741 1.00 0.00 N ATOM 487 CA LEU A 32 -10.759 10.532 5.151 1.00 0.00 C ATOM 488 C LEU A 32 -10.189 10.096 6.503 1.00 0.00 C ATOM 489 O LEU A 32 -8.991 10.222 6.747 1.00 0.00 O ATOM 490 CB LEU A 32 -10.429 9.468 4.102 1.00 0.00 C ATOM 491 CG LEU A 32 -10.963 9.765 2.694 1.00 0.00 C ATOM 492 CD1 LEU A 32 -10.344 8.759 1.722 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.492 9.656 2.636 1.00 0.00 C ATOM 0 H LEU A 32 -9.543 11.772 3.988 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.840 10.637 5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.346 9.354 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.834 8.512 4.435 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.693 10.786 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.711 8.953 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.259 8.858 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.620 7.748 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.834 9.873 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.796 8.646 2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.934 10.371 3.330 1.00 0.00 H new ATOM 505 N THR A 33 -11.033 9.516 7.357 1.00 0.00 N ATOM 506 CA THR A 33 -10.654 9.062 8.686 1.00 0.00 C ATOM 507 C THR A 33 -10.266 7.589 8.599 1.00 0.00 C ATOM 508 O THR A 33 -11.150 6.740 8.485 1.00 0.00 O ATOM 509 CB THR A 33 -11.833 9.274 9.651 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.327 10.590 9.498 1.00 0.00 O ATOM 511 CG2 THR A 33 -11.406 9.067 11.108 1.00 0.00 C ATOM 0 H THR A 33 -12.015 9.348 7.136 1.00 0.00 H new ATOM 0 HA THR A 33 -9.804 9.629 9.064 1.00 0.00 H new ATOM 0 HB THR A 33 -12.606 8.543 9.412 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.080 10.730 10.110 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.262 9.224 11.764 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.032 8.051 11.237 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.620 9.778 11.361 1.00 0.00 H new ATOM 519 N PHE A 34 -8.965 7.279 8.642 1.00 0.00 N ATOM 520 CA PHE A 34 -8.489 5.898 8.708 1.00 0.00 C ATOM 521 C PHE A 34 -9.235 5.144 9.803 1.00 0.00 C ATOM 522 O PHE A 34 -9.377 5.648 10.915 1.00 0.00 O ATOM 523 CB PHE A 34 -6.980 5.852 8.978 1.00 0.00 C ATOM 524 CG PHE A 34 -6.400 4.470 9.235 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.472 3.902 10.523 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.762 3.761 8.200 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.942 2.624 10.762 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.227 2.484 8.443 1.00 0.00 C ATOM 529 CZ PHE A 34 -5.297 1.923 9.728 1.00 0.00 C ATOM 0 H PHE A 34 -8.219 7.975 8.632 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.680 5.422 7.746 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.463 6.290 8.124 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.764 6.483 9.840 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.936 4.452 11.329 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.683 4.199 7.216 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.030 2.179 11.742 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.761 1.933 7.639 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.857 0.956 9.922 1.00 0.00 H new ATOM 539 N ASN A 35 -9.694 3.940 9.472 1.00 0.00 N ATOM 540 CA ASN A 35 -10.361 3.047 10.409 1.00 0.00 C ATOM 541 C ASN A 35 -9.419 1.904 10.763 1.00 0.00 C ATOM 542 O ASN A 35 -8.979 1.779 11.903 1.00 0.00 O ATOM 543 CB ASN A 35 -11.661 2.522 9.791 1.00 0.00 C ATOM 544 CG ASN A 35 -12.641 2.088 10.869 1.00 0.00 C ATOM 545 OD1 ASN A 35 -12.784 0.901 11.143 1.00 0.00 O ATOM 546 ND2 ASN A 35 -13.328 3.046 11.482 1.00 0.00 N ATOM 0 H ASN A 35 -9.611 3.554 8.532 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.617 3.585 11.322 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.114 3.298 9.174 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.441 1.680 9.134 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.002 2.805 12.208 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.181 4.022 11.226 1.00 0.00 H new ATOM 553 N LYS A 36 -9.104 1.080 9.761 1.00 0.00 N ATOM 554 CA LYS A 36 -8.199 -0.056 9.875 1.00 0.00 C ATOM 555 C LYS A 36 -7.843 -0.551 8.475 1.00 0.00 C ATOM 556 O LYS A 36 -8.525 -0.204 7.517 1.00 0.00 O ATOM 557 CB LYS A 36 -8.800 -1.167 10.752 1.00 0.00 C ATOM 558 CG LYS A 36 -10.152 -1.693 10.246 1.00 0.00 C ATOM 559 CD LYS A 36 -10.660 -2.849 11.122 1.00 0.00 C ATOM 560 CE LYS A 36 -11.203 -2.394 12.485 1.00 0.00 C ATOM 561 NZ LYS A 36 -12.462 -1.638 12.354 1.00 0.00 N ATOM 0 H LYS A 36 -9.485 1.192 8.822 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.283 0.258 10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.095 -1.996 10.805 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.924 -0.789 11.767 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.883 -0.885 10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.051 -2.031 9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.446 -3.382 10.586 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.847 -3.557 11.282 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.368 -3.265 13.119 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.458 -1.774 12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.855 -1.453 13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.276 -0.735 11.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.144 -2.193 11.798 1.00 0.00 H new ATOM 575 N VAL A 37 -6.793 -1.367 8.354 1.00 0.00 N ATOM 576 CA VAL A 37 -6.424 -2.054 7.125 1.00 0.00 C ATOM 577 C VAL A 37 -6.704 -3.543 7.287 1.00 0.00 C ATOM 578 O VAL A 37 -6.505 -4.081 8.377 1.00 0.00 O ATOM 579 CB VAL A 37 -4.961 -1.735 6.793 1.00 0.00 C ATOM 580 CG1 VAL A 37 -3.969 -2.174 7.879 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.541 -2.310 5.437 1.00 0.00 C ATOM 0 H VAL A 37 -6.163 -1.570 9.130 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.019 -1.711 6.279 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.919 -0.647 6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.956 -1.915 7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.206 -1.667 8.815 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.040 -3.252 8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.498 -2.060 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.658 -3.394 5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.168 -1.886 4.652 1.00 0.00 H new ATOM 591 N ILE A 38 -7.194 -4.191 6.228 1.00 0.00 N ATOM 592 CA ILE A 38 -7.577 -5.600 6.255 1.00 0.00 C ATOM 593 C ILE A 38 -7.185 -6.292 4.946 1.00 0.00 C ATOM 594 O ILE A 38 -6.779 -5.643 3.984 1.00 0.00 O ATOM 595 CB ILE A 38 -9.063 -5.783 6.646 1.00 0.00 C ATOM 596 CG1 ILE A 38 -10.071 -4.953 5.831 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.274 -5.459 8.133 1.00 0.00 C ATOM 598 CD1 ILE A 38 -10.268 -5.477 4.408 1.00 0.00 C ATOM 0 H ILE A 38 -7.336 -3.747 5.321 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.015 -6.101 7.043 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.266 -6.830 6.422 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.031 -4.950 6.347 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.730 -3.919 5.787 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.325 -5.593 8.389 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.664 -6.127 8.741 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.983 -4.426 8.325 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.990 -4.849 3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.316 -5.454 3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.638 -6.501 4.446 1.00 0.00 H new ATOM 610 N ARG A 39 -7.264 -7.625 4.938 1.00 0.00 N ATOM 611 CA ARG A 39 -6.869 -8.461 3.810 1.00 0.00 C ATOM 612 C ARG A 39 -7.752 -8.179 2.584 1.00 0.00 C ATOM 613 O ARG A 39 -8.907 -7.794 2.753 1.00 0.00 O ATOM 614 CB ARG A 39 -6.949 -9.948 4.213 1.00 0.00 C ATOM 615 CG ARG A 39 -8.248 -10.310 4.953 1.00 0.00 C ATOM 616 CD ARG A 39 -8.076 -10.291 6.481 1.00 0.00 C ATOM 617 NE ARG A 39 -9.266 -9.741 7.145 1.00 0.00 N ATOM 618 CZ ARG A 39 -9.434 -9.681 8.474 1.00 0.00 C ATOM 619 NH1 ARG A 39 -8.485 -10.142 9.297 1.00 0.00 N ATOM 620 NH2 ARG A 39 -10.559 -9.161 8.974 1.00 0.00 N ATOM 0 H ARG A 39 -7.612 -8.161 5.733 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.840 -8.223 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.865 -10.565 3.318 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.097 -10.191 4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.032 -9.608 4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.578 -11.300 4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.891 -11.303 6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.202 -9.695 6.743 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.015 -9.380 6.555 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.628 -10.542 8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.618 -10.094 10.307 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.283 -8.813 8.346 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.693 -9.112 9.984 1.00 0.00 H new ATOM 634 N PRO A 40 -7.274 -8.426 1.352 1.00 0.00 N ATOM 635 CA PRO A 40 -5.939 -8.892 0.992 1.00 0.00 C ATOM 636 C PRO A 40 -4.901 -7.770 1.089 1.00 0.00 C ATOM 637 O PRO A 40 -5.150 -6.648 0.647 1.00 0.00 O ATOM 638 CB PRO A 40 -6.067 -9.387 -0.453 1.00 0.00 C ATOM 639 CG PRO A 40 -7.189 -8.519 -1.022 1.00 0.00 C ATOM 640 CD PRO A 40 -8.124 -8.366 0.176 1.00 0.00 C ATOM 0 HA PRO A 40 -5.595 -9.673 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.137 -9.257 -1.007 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.317 -10.447 -0.495 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.819 -7.556 -1.374 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.685 -8.998 -1.866 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.664 -7.420 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.871 -9.159 0.193 1.00 0.00 H new ATOM 648 N CYS A 41 -3.727 -8.102 1.641 1.00 0.00 N ATOM 649 CA CYS A 41 -2.586 -7.207 1.767 1.00 0.00 C ATOM 650 C CYS A 41 -1.391 -7.911 1.153 1.00 0.00 C ATOM 651 O CYS A 41 -1.053 -9.008 1.595 1.00 0.00 O ATOM 652 CB CYS A 41 -2.280 -6.917 3.235 1.00 0.00 C ATOM 653 SG CYS A 41 -3.544 -5.845 3.928 1.00 0.00 S ATOM 0 H CYS A 41 -3.547 -9.031 2.022 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.803 -6.263 1.268 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.235 -7.850 3.797 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.302 -6.444 3.324 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.720 -6.301 3.613 1.00 0.00 H new ATOM 659 N MET A 42 -0.774 -7.307 0.138 1.00 0.00 N ATOM 660 CA MET A 42 0.209 -7.974 -0.711 1.00 0.00 C ATOM 661 C MET A 42 1.371 -7.025 -0.999 1.00 0.00 C ATOM 662 O MET A 42 1.142 -5.837 -1.224 1.00 0.00 O ATOM 663 CB MET A 42 -0.510 -8.453 -1.989 1.00 0.00 C ATOM 664 CG MET A 42 -0.147 -9.901 -2.345 1.00 0.00 C ATOM 665 SD MET A 42 -1.136 -10.717 -3.624 1.00 0.00 S ATOM 666 CE MET A 42 -2.787 -10.695 -2.887 1.00 0.00 C ATOM 0 H MET A 42 -0.944 -6.335 -0.119 1.00 0.00 H new ATOM 0 HA MET A 42 0.639 -8.845 -0.217 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.588 -8.373 -1.850 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.247 -7.799 -2.820 1.00 0.00 H new ATOM 0 HG2 MET A 42 0.895 -9.919 -2.663 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.213 -10.498 -1.436 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.435 -11.386 -3.426 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.723 -10.998 -1.842 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.199 -9.688 -2.948 1.00 0.00 H new ATOM 676 N LYS A 43 2.610 -7.531 -0.970 1.00 0.00 N ATOM 677 CA LYS A 43 3.802 -6.742 -1.272 1.00 0.00 C ATOM 678 C LYS A 43 4.554 -7.362 -2.438 1.00 0.00 C ATOM 679 O LYS A 43 4.627 -8.587 -2.491 1.00 0.00 O ATOM 680 CB LYS A 43 4.712 -6.630 -0.039 1.00 0.00 C ATOM 681 CG LYS A 43 5.551 -7.888 0.246 1.00 0.00 C ATOM 682 CD LYS A 43 6.454 -7.702 1.473 1.00 0.00 C ATOM 683 CE LYS A 43 7.712 -6.894 1.124 1.00 0.00 C ATOM 684 NZ LYS A 43 8.535 -6.630 2.317 1.00 0.00 N ATOM 0 H LYS A 43 2.811 -8.503 -0.735 1.00 0.00 H new ATOM 0 HA LYS A 43 3.490 -5.735 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.384 -5.782 -0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.096 -6.413 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.889 -8.738 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.164 -8.122 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.899 -7.193 2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.743 -8.677 1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.302 -7.439 0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.422 -5.949 0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.612 -5.604 2.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.091 -7.068 3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.484 -7.032 2.180 1.00 0.00 H new ATOM 698 N LYS A 44 5.138 -6.545 -3.322 1.00 0.00 N ATOM 699 CA LYS A 44 6.003 -7.002 -4.407 1.00 0.00 C ATOM 700 C LYS A 44 7.284 -6.170 -4.445 1.00 0.00 C ATOM 701 O LYS A 44 7.243 -4.961 -4.233 1.00 0.00 O ATOM 702 CB LYS A 44 5.261 -6.917 -5.746 1.00 0.00 C ATOM 703 CG LYS A 44 6.001 -7.666 -6.865 1.00 0.00 C ATOM 704 CD LYS A 44 5.017 -8.063 -7.975 1.00 0.00 C ATOM 705 CE LYS A 44 5.708 -8.852 -9.092 1.00 0.00 C ATOM 706 NZ LYS A 44 6.714 -8.040 -9.799 1.00 0.00 N ATOM 0 H LYS A 44 5.019 -5.532 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 44 6.274 -8.043 -4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.260 -7.333 -5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.141 -5.871 -6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.789 -7.035 -7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.483 -8.556 -6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.212 -8.663 -7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.559 -7.166 -8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.187 -9.735 -8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.961 -9.204 -9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.060 -8.562 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.283 -7.145 -10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.509 -7.839 -9.160 1.00 0.00 H new ATOM 720 N THR A 45 8.418 -6.811 -4.727 1.00 0.00 N ATOM 721 CA THR A 45 9.693 -6.115 -4.876 1.00 0.00 C ATOM 722 C THR A 45 9.771 -5.396 -6.226 1.00 0.00 C ATOM 723 O THR A 45 9.318 -5.931 -7.238 1.00 0.00 O ATOM 724 CB THR A 45 10.844 -7.105 -4.675 1.00 0.00 C ATOM 725 OG1 THR A 45 10.729 -7.614 -3.365 1.00 0.00 O ATOM 726 CG2 THR A 45 12.218 -6.447 -4.805 1.00 0.00 C ATOM 0 H THR A 45 8.478 -7.821 -4.858 1.00 0.00 H new ATOM 0 HA THR A 45 9.776 -5.343 -4.111 1.00 0.00 H new ATOM 0 HB THR A 45 10.773 -7.876 -5.442 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.563 -8.063 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.996 -7.195 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.321 -6.013 -5.800 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.318 -5.662 -4.055 1.00 0.00 H new ATOM 734 N ILE A 46 10.356 -4.193 -6.234 1.00 0.00 N ATOM 735 CA ILE A 46 10.531 -3.339 -7.401 1.00 0.00 C ATOM 736 C ILE A 46 12.020 -3.279 -7.763 1.00 0.00 C ATOM 737 O ILE A 46 12.871 -2.940 -6.934 1.00 0.00 O ATOM 738 CB ILE A 46 9.857 -1.971 -7.162 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.573 -1.825 -7.997 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.753 -0.755 -7.440 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.511 -2.876 -7.656 1.00 0.00 C ATOM 0 H ILE A 46 10.736 -3.774 -5.385 1.00 0.00 H new ATOM 0 HA ILE A 46 10.028 -3.751 -8.276 1.00 0.00 H new ATOM 0 HB ILE A 46 9.632 -1.972 -6.096 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.155 -0.831 -7.839 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.824 -1.901 -9.055 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.195 0.161 -7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.628 -0.792 -6.791 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.073 -0.770 -8.482 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.630 -2.719 -8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.913 -3.872 -7.840 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.233 -2.785 -6.606 1.00 0.00 H new ATOM 753 N TYR A 47 12.326 -3.645 -9.009 1.00 0.00 N ATOM 754 CA TYR A 47 13.673 -3.739 -9.551 1.00 0.00 C ATOM 755 C TYR A 47 13.973 -2.551 -10.457 1.00 0.00 C ATOM 756 O TYR A 47 13.069 -1.810 -10.840 1.00 0.00 O ATOM 757 CB TYR A 47 13.820 -5.058 -10.322 1.00 0.00 C ATOM 758 CG TYR A 47 13.861 -6.296 -9.446 1.00 0.00 C ATOM 759 CD1 TYR A 47 12.673 -6.825 -8.907 1.00 0.00 C ATOM 760 CD2 TYR A 47 15.087 -6.940 -9.198 1.00 0.00 C ATOM 761 CE1 TYR A 47 12.718 -7.978 -8.106 1.00 0.00 C ATOM 762 CE2 TYR A 47 15.130 -8.098 -8.404 1.00 0.00 C ATOM 763 CZ TYR A 47 13.944 -8.611 -7.850 1.00 0.00 C ATOM 764 OH TYR A 47 13.977 -9.723 -7.061 1.00 0.00 O ATOM 0 H TYR A 47 11.610 -3.893 -9.692 1.00 0.00 H new ATOM 0 HA TYR A 47 14.390 -3.722 -8.730 1.00 0.00 H new ATOM 0 HB2 TYR A 47 12.989 -5.150 -11.021 1.00 0.00 H new ATOM 0 HB3 TYR A 47 14.733 -5.018 -10.916 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.727 -6.344 -9.109 1.00 0.00 H new ATOM 0 HD2 TYR A 47 15.998 -6.543 -9.620 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.807 -8.378 -7.686 1.00 0.00 H new ATOM 0 HE2 TYR A 47 16.072 -8.593 -8.220 1.00 0.00 H new ATOM 0 HH TYR A 47 14.901 -10.041 -6.983 1.00 0.00 H new ATOM 774 N GLU A 48 15.250 -2.398 -10.811 1.00 0.00 N ATOM 775 CA GLU A 48 15.725 -1.508 -11.842 1.00 0.00 C ATOM 776 C GLU A 48 16.504 -2.330 -12.859 1.00 0.00 C ATOM 777 O GLU A 48 17.036 -3.405 -12.573 1.00 0.00 O ATOM 778 CB GLU A 48 16.599 -0.384 -11.264 1.00 0.00 C ATOM 779 CG GLU A 48 15.848 0.953 -11.252 1.00 0.00 C ATOM 780 CD GLU A 48 15.662 1.573 -12.640 1.00 0.00 C ATOM 781 OE1 GLU A 48 16.101 0.945 -13.631 1.00 0.00 O ATOM 782 OE2 GLU A 48 15.077 2.677 -12.681 1.00 0.00 O ATOM 0 H GLU A 48 16.004 -2.918 -10.361 1.00 0.00 H new ATOM 0 HA GLU A 48 14.873 -1.025 -12.321 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.904 -0.642 -10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.509 -0.287 -11.855 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.869 0.804 -10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.389 1.657 -10.620 1.00 0.00 H new ATOM 789 N ASN A 49 16.535 -1.747 -14.048 1.00 0.00 N ATOM 790 CA ASN A 49 17.120 -2.230 -15.287 1.00 0.00 C ATOM 791 C ASN A 49 18.302 -1.333 -15.666 1.00 0.00 C ATOM 792 O ASN A 49 19.318 -1.808 -16.167 1.00 0.00 O ATOM 793 CB ASN A 49 16.026 -2.193 -16.365 1.00 0.00 C ATOM 794 CG ASN A 49 16.448 -2.808 -17.697 1.00 0.00 C ATOM 795 OD1 ASN A 49 17.493 -3.434 -17.815 1.00 0.00 O ATOM 796 ND2 ASN A 49 15.612 -2.654 -18.721 1.00 0.00 N ATOM 0 H ASN A 49 16.107 -0.831 -14.181 1.00 0.00 H new ATOM 0 HA ASN A 49 17.491 -3.250 -15.183 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.147 -2.721 -15.995 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.729 -1.158 -16.532 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.836 -3.062 -19.628 1.00 0.00 H new ATOM 0 HD22 ASN A 49 14.747 -2.128 -18.598 1.00 0.00 H new ATOM 803 N GLU A 50 18.178 -0.023 -15.403 1.00 0.00 N ATOM 804 CA GLU A 50 19.193 0.972 -15.718 1.00 0.00 C ATOM 805 C GLU A 50 20.433 0.776 -14.835 1.00 0.00 C ATOM 806 O GLU A 50 20.648 1.504 -13.870 1.00 0.00 O ATOM 807 CB GLU A 50 18.581 2.375 -15.581 1.00 0.00 C ATOM 808 CG GLU A 50 19.499 3.465 -16.149 1.00 0.00 C ATOM 809 CD GLU A 50 18.856 4.843 -16.027 1.00 0.00 C ATOM 810 OE1 GLU A 50 19.022 5.457 -14.952 1.00 0.00 O ATOM 811 OE2 GLU A 50 18.199 5.249 -17.010 1.00 0.00 O ATOM 0 H GLU A 50 17.351 0.373 -14.957 1.00 0.00 H new ATOM 0 HA GLU A 50 19.529 0.853 -16.748 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.622 2.404 -16.099 1.00 0.00 H new ATOM 0 HB3 GLU A 50 18.382 2.582 -14.529 1.00 0.00 H new ATOM 0 HG2 GLU A 50 20.451 3.456 -15.618 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.716 3.253 -17.196 1.00 0.00 H new ATOM 818 N GLY A 51 21.246 -0.220 -15.178 1.00 0.00 N ATOM 819 CA GLY A 51 22.501 -0.534 -14.522 1.00 0.00 C ATOM 820 C GLY A 51 22.967 -1.900 -15.000 1.00 0.00 C ATOM 821 O GLY A 51 23.945 -2.015 -15.734 1.00 0.00 O ATOM 0 H GLY A 51 21.036 -0.851 -15.951 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.249 0.224 -14.754 1.00 0.00 H new ATOM 0 HA3 GLY A 51 22.373 -0.535 -13.440 1.00 0.00 H new ATOM 825 N PHE A 52 22.234 -2.934 -14.589 1.00 0.00 N ATOM 826 CA PHE A 52 22.418 -4.309 -15.033 1.00 0.00 C ATOM 827 C PHE A 52 21.202 -5.129 -14.598 1.00 0.00 C ATOM 828 O PHE A 52 20.492 -5.699 -15.420 1.00 0.00 O ATOM 829 CB PHE A 52 23.729 -4.884 -14.466 1.00 0.00 C ATOM 830 CG PHE A 52 24.409 -5.876 -15.385 1.00 0.00 C ATOM 831 CD1 PHE A 52 24.080 -7.244 -15.328 1.00 0.00 C ATOM 832 CD2 PHE A 52 25.366 -5.425 -16.314 1.00 0.00 C ATOM 833 CE1 PHE A 52 24.732 -8.159 -16.172 1.00 0.00 C ATOM 834 CE2 PHE A 52 26.023 -6.342 -17.152 1.00 0.00 C ATOM 835 CZ PHE A 52 25.710 -7.710 -17.078 1.00 0.00 C ATOM 0 H PHE A 52 21.473 -2.831 -13.917 1.00 0.00 H new ATOM 0 HA PHE A 52 22.497 -4.348 -16.119 1.00 0.00 H new ATOM 0 HB2 PHE A 52 24.416 -4.063 -14.261 1.00 0.00 H new ATOM 0 HB3 PHE A 52 23.519 -5.370 -13.513 1.00 0.00 H new ATOM 0 HD1 PHE A 52 23.327 -7.590 -14.636 1.00 0.00 H new ATOM 0 HD2 PHE A 52 25.596 -4.372 -16.383 1.00 0.00 H new ATOM 0 HE1 PHE A 52 24.482 -9.209 -16.125 1.00 0.00 H new ATOM 0 HE2 PHE A 52 26.768 -5.996 -17.853 1.00 0.00 H new ATOM 0 HZ PHE A 52 26.220 -8.416 -17.716 1.00 0.00 H new ATOM 845 N ARG A 53 20.969 -5.158 -13.283 1.00 0.00 N ATOM 846 CA ARG A 53 19.879 -5.845 -12.606 1.00 0.00 C ATOM 847 C ARG A 53 20.072 -5.556 -11.120 1.00 0.00 C ATOM 848 O ARG A 53 21.133 -5.883 -10.591 1.00 0.00 O ATOM 849 CB ARG A 53 19.937 -7.359 -12.886 1.00 0.00 C ATOM 850 CG ARG A 53 19.119 -8.175 -11.872 1.00 0.00 C ATOM 851 CD ARG A 53 18.952 -9.627 -12.329 1.00 0.00 C ATOM 852 NE ARG A 53 17.975 -9.726 -13.420 1.00 0.00 N ATOM 853 CZ ARG A 53 17.579 -10.875 -13.985 1.00 0.00 C ATOM 854 NH1 ARG A 53 18.144 -12.034 -13.628 1.00 0.00 N ATOM 855 NH2 ARG A 53 16.613 -10.854 -14.908 1.00 0.00 N ATOM 0 H ARG A 53 21.578 -4.670 -12.626 1.00 0.00 H new ATOM 0 HA ARG A 53 18.905 -5.502 -12.955 1.00 0.00 H new ATOM 0 HB2 ARG A 53 19.563 -7.554 -13.891 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.975 -7.691 -12.862 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.613 -8.152 -10.901 1.00 0.00 H new ATOM 0 HG3 ARG A 53 18.138 -7.718 -11.741 1.00 0.00 H new ATOM 0 HD2 ARG A 53 19.913 -10.021 -12.660 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.628 -10.241 -11.489 1.00 0.00 H new ATOM 0 HE ARG A 53 17.569 -8.859 -13.773 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.880 -12.046 -12.922 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.838 -12.905 -14.062 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.184 -9.969 -15.177 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.305 -11.723 -15.344 1.00 0.00 H new ATOM 869 N GLU A 54 19.093 -4.952 -10.441 1.00 0.00 N ATOM 870 CA GLU A 54 19.130 -4.808 -8.994 1.00 0.00 C ATOM 871 C GLU A 54 17.742 -4.453 -8.467 1.00 0.00 C ATOM 872 O GLU A 54 16.892 -3.996 -9.229 1.00 0.00 O ATOM 873 CB GLU A 54 20.175 -3.759 -8.562 1.00 0.00 C ATOM 874 CG GLU A 54 20.965 -4.239 -7.337 1.00 0.00 C ATOM 875 CD GLU A 54 21.961 -3.191 -6.850 1.00 0.00 C ATOM 876 OE1 GLU A 54 22.704 -2.665 -7.708 1.00 0.00 O ATOM 877 OE2 GLU A 54 21.966 -2.937 -5.627 1.00 0.00 O ATOM 0 H GLU A 54 18.262 -4.554 -10.879 1.00 0.00 H new ATOM 0 HA GLU A 54 19.431 -5.762 -8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.860 -3.563 -9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.676 -2.818 -8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.272 -4.482 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.498 -5.157 -7.586 1.00 0.00 H new ATOM 884 N ILE A 55 17.527 -4.659 -7.165 1.00 0.00 N ATOM 885 CA ILE A 55 16.347 -4.195 -6.451 1.00 0.00 C ATOM 886 C ILE A 55 16.499 -2.688 -6.229 1.00 0.00 C ATOM 887 O ILE A 55 17.551 -2.249 -5.770 1.00 0.00 O ATOM 888 CB ILE A 55 16.196 -4.969 -5.126 1.00 0.00 C ATOM 889 CG1 ILE A 55 15.915 -6.451 -5.441 1.00 0.00 C ATOM 890 CG2 ILE A 55 15.063 -4.363 -4.282 1.00 0.00 C ATOM 891 CD1 ILE A 55 15.972 -7.362 -4.211 1.00 0.00 C ATOM 0 H ILE A 55 18.185 -5.164 -6.571 1.00 0.00 H new ATOM 0 HA ILE A 55 15.439 -4.378 -7.025 1.00 0.00 H new ATOM 0 HB ILE A 55 17.118 -4.895 -4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.930 -6.536 -5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.640 -6.801 -6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.967 -4.919 -3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.291 -3.320 -4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.126 -4.420 -4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.764 -8.390 -4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 55 16.964 -7.308 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.228 -7.038 -3.483 1.00 0.00 H new ATOM 903 N LYS A 56 15.465 -1.901 -6.547 1.00 0.00 N ATOM 904 CA LYS A 56 15.426 -0.470 -6.257 1.00 0.00 C ATOM 905 C LYS A 56 14.603 -0.216 -4.990 1.00 0.00 C ATOM 906 O LYS A 56 14.878 0.718 -4.233 1.00 0.00 O ATOM 907 CB LYS A 56 14.831 0.297 -7.447 1.00 0.00 C ATOM 908 CG LYS A 56 15.199 1.788 -7.371 1.00 0.00 C ATOM 909 CD LYS A 56 14.214 2.651 -8.169 1.00 0.00 C ATOM 910 CE LYS A 56 14.624 4.129 -8.151 1.00 0.00 C ATOM 911 NZ LYS A 56 15.843 4.370 -8.943 1.00 0.00 N ATOM 0 H LYS A 56 14.627 -2.245 -7.016 1.00 0.00 H new ATOM 0 HA LYS A 56 16.443 -0.114 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.201 -0.127 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.747 0.185 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.205 2.110 -6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 56 16.208 1.935 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.169 2.297 -9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.213 2.544 -7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.809 4.737 -8.545 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.791 4.447 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.011 5.394 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.655 3.919 -8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.724 3.967 -9.895 1.00 0.00 H new ATOM 925 N GLY A 57 13.555 -1.011 -4.770 1.00 0.00 N ATOM 926 CA GLY A 57 12.625 -0.750 -3.691 1.00 0.00 C ATOM 927 C GLY A 57 11.556 -1.829 -3.655 1.00 0.00 C ATOM 928 O GLY A 57 11.765 -2.927 -4.167 1.00 0.00 O ATOM 0 H GLY A 57 13.336 -1.837 -5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.157 -0.722 -2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.162 0.228 -3.827 1.00 0.00 H new ATOM 932 N TYR A 58 10.408 -1.514 -3.059 1.00 0.00 N ATOM 933 CA TYR A 58 9.289 -2.425 -2.923 1.00 0.00 C ATOM 934 C TYR A 58 8.001 -1.630 -3.089 1.00 0.00 C ATOM 935 O TYR A 58 8.005 -0.413 -2.900 1.00 0.00 O ATOM 936 CB TYR A 58 9.323 -3.098 -1.546 1.00 0.00 C ATOM 937 CG TYR A 58 10.699 -3.519 -1.063 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.528 -2.583 -0.417 1.00 0.00 C ATOM 939 CD2 TYR A 58 11.211 -4.786 -1.397 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.874 -2.889 -0.160 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.559 -5.094 -1.139 1.00 0.00 C ATOM 942 CZ TYR A 58 13.396 -4.135 -0.542 1.00 0.00 C ATOM 943 OH TYR A 58 14.715 -4.408 -0.328 1.00 0.00 O ATOM 0 H TYR A 58 10.233 -0.596 -2.650 1.00 0.00 H new ATOM 0 HA TYR A 58 9.345 -3.204 -3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.893 -2.413 -0.815 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.681 -3.978 -1.574 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.127 -1.626 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.567 -5.524 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.508 -2.166 0.332 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.951 -6.066 -1.399 1.00 0.00 H new ATOM 0 HH TYR A 58 14.918 -5.312 -0.647 1.00 0.00 H new ATOM 953 N GLU A 59 6.915 -2.333 -3.404 1.00 0.00 N ATOM 954 CA GLU A 59 5.557 -1.818 -3.424 1.00 0.00 C ATOM 955 C GLU A 59 4.693 -2.659 -2.495 1.00 0.00 C ATOM 956 O GLU A 59 4.954 -3.851 -2.316 1.00 0.00 O ATOM 957 CB GLU A 59 4.979 -1.824 -4.844 1.00 0.00 C ATOM 958 CG GLU A 59 5.523 -0.643 -5.654 1.00 0.00 C ATOM 959 CD GLU A 59 4.966 -0.588 -7.074 1.00 0.00 C ATOM 960 OE1 GLU A 59 3.896 -1.194 -7.303 1.00 0.00 O ATOM 961 OE2 GLU A 59 5.620 0.066 -7.914 1.00 0.00 O ATOM 0 H GLU A 59 6.965 -3.318 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 59 5.568 -0.783 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.232 -2.760 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.891 -1.771 -4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.281 0.286 -5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.610 -0.710 -5.698 1.00 0.00 H new ATOM 968 N TYR A 60 3.668 -2.027 -1.923 1.00 0.00 N ATOM 969 CA TYR A 60 2.735 -2.616 -0.988 1.00 0.00 C ATOM 970 C TYR A 60 1.360 -2.182 -1.463 1.00 0.00 C ATOM 971 O TYR A 60 1.131 -0.983 -1.617 1.00 0.00 O ATOM 972 CB TYR A 60 3.008 -2.091 0.422 1.00 0.00 C ATOM 973 CG TYR A 60 4.401 -2.393 0.928 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.470 -1.530 0.620 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.647 -3.576 1.648 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.781 -1.873 0.990 1.00 0.00 C ATOM 977 CE2 TYR A 60 5.958 -3.912 2.023 1.00 0.00 C ATOM 978 CZ TYR A 60 7.029 -3.078 1.666 1.00 0.00 C ATOM 979 OH TYR A 60 8.299 -3.429 2.013 1.00 0.00 O ATOM 0 H TYR A 60 3.464 -1.046 -2.114 1.00 0.00 H new ATOM 0 HA TYR A 60 2.821 -3.702 -0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.853 -1.012 0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.281 -2.525 1.108 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.282 -0.603 0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.827 -4.227 1.913 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.599 -1.209 0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.143 -4.814 2.587 1.00 0.00 H new ATOM 0 HH TYR A 60 8.321 -3.682 2.960 1.00 0.00 H new ATOM 989 N GLN A 61 0.472 -3.139 -1.725 1.00 0.00 N ATOM 990 CA GLN A 61 -0.888 -2.882 -2.158 1.00 0.00 C ATOM 991 C GLN A 61 -1.832 -3.540 -1.153 1.00 0.00 C ATOM 992 O GLN A 61 -1.656 -4.714 -0.817 1.00 0.00 O ATOM 993 CB GLN A 61 -1.085 -3.372 -3.599 1.00 0.00 C ATOM 994 CG GLN A 61 -2.373 -2.775 -4.168 1.00 0.00 C ATOM 995 CD GLN A 61 -2.639 -3.198 -5.609 1.00 0.00 C ATOM 996 OE1 GLN A 61 -3.363 -4.157 -5.857 1.00 0.00 O ATOM 997 NE2 GLN A 61 -2.081 -2.480 -6.577 1.00 0.00 N ATOM 0 H GLN A 61 0.688 -4.132 -1.639 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.108 -1.815 -2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.233 -3.080 -4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.135 -4.461 -3.621 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.214 -3.079 -3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.316 -1.688 -4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.483 -1.687 -6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.251 -2.721 -7.553 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.794 -2.774 -0.631 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.673 -3.254 0.419 1.00 0.00 C ATOM 1008 C LEU A 62 -4.998 -2.500 0.404 1.00 0.00 C ATOM 1009 O LEU A 62 -5.096 -1.402 -0.147 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.984 -3.250 1.798 1.00 0.00 C ATOM 1011 CG LEU A 62 -2.177 -2.027 2.274 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -0.823 -1.859 1.570 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -2.973 -0.726 2.211 1.00 0.00 C ATOM 0 H LEU A 62 -2.978 -1.815 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.905 -4.299 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.758 -3.432 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.311 -4.107 1.822 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.966 -2.244 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.317 -0.976 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.207 -2.740 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.982 -1.741 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.351 0.099 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.283 -0.538 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.855 -0.808 2.846 1.00 0.00 H new ATOM 1025 N TYR A 63 -6.029 -3.121 0.984 1.00 0.00 N ATOM 1026 CA TYR A 63 -7.348 -2.540 1.127 1.00 0.00 C ATOM 1027 C TYR A 63 -7.482 -1.923 2.521 1.00 0.00 C ATOM 1028 O TYR A 63 -7.478 -2.632 3.530 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.412 -3.609 0.848 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.926 -3.605 -0.581 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -9.558 -2.457 -1.087 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -8.784 -4.734 -1.406 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -10.047 -2.434 -2.400 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -9.288 -4.718 -2.718 1.00 0.00 C ATOM 1035 CZ TYR A 63 -9.923 -3.570 -3.216 1.00 0.00 C ATOM 1036 OH TYR A 63 -10.348 -3.534 -4.510 1.00 0.00 O ATOM 0 H TYR A 63 -5.959 -4.062 1.372 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.497 -1.740 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.994 -4.591 1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.252 -3.458 1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.668 -1.585 -0.459 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.286 -5.616 -1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.519 -1.542 -2.784 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -9.186 -5.592 -3.345 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.187 -4.404 -4.932 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.585 -0.591 2.565 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.741 0.174 3.791 1.00 0.00 C ATOM 1048 C VAL A 64 -9.195 0.619 3.934 1.00 0.00 C ATOM 1049 O VAL A 64 -9.788 1.121 2.980 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.721 1.328 3.837 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.855 2.334 2.686 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -6.796 2.070 5.176 1.00 0.00 C ATOM 0 H VAL A 64 -7.561 -0.009 1.728 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.521 -0.446 4.660 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.747 0.851 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.100 3.113 2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.713 1.820 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.847 2.784 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.067 2.880 5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.797 2.481 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.578 1.377 5.989 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.770 0.420 5.122 1.00 0.00 N ATOM 1063 CA TYR A 65 -11.054 0.964 5.509 1.00 0.00 C ATOM 1064 C TYR A 65 -10.805 2.352 6.099 1.00 0.00 C ATOM 1065 O TYR A 65 -10.096 2.489 7.100 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.737 0.038 6.531 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.907 -0.764 5.999 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -14.019 -0.094 5.461 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -12.951 -2.161 6.167 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -15.157 -0.813 5.062 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -14.093 -2.881 5.773 1.00 0.00 C ATOM 1072 CZ TYR A 65 -15.195 -2.207 5.220 1.00 0.00 C ATOM 1073 OH TYR A 65 -16.303 -2.909 4.853 1.00 0.00 O ATOM 0 H TYR A 65 -9.335 -0.141 5.855 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.720 1.040 4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.992 -0.654 6.924 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -12.084 0.642 7.369 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.998 0.980 5.354 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.108 -2.680 6.598 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -16.002 -0.294 4.634 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -14.123 -3.954 5.896 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.160 -3.862 5.029 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.398 3.377 5.485 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.374 4.749 5.960 1.00 0.00 C ATOM 1085 C ALA A 66 -12.806 5.274 5.918 1.00 0.00 C ATOM 1086 O ALA A 66 -13.478 5.133 4.902 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.431 5.581 5.090 1.00 0.00 C ATOM 0 H ALA A 66 -11.923 3.265 4.617 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.000 4.812 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.416 6.610 5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.425 5.164 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.778 5.563 4.057 1.00 0.00 H new ATOM 1093 N SER A 67 -13.299 5.823 7.031 1.00 0.00 N ATOM 1094 CA SER A 67 -14.668 6.324 7.148 1.00 0.00 C ATOM 1095 C SER A 67 -15.687 5.248 6.730 1.00 0.00 C ATOM 1096 O SER A 67 -16.671 5.528 6.053 1.00 0.00 O ATOM 1097 CB SER A 67 -14.807 7.621 6.332 1.00 0.00 C ATOM 1098 OG SER A 67 -15.829 8.451 6.853 1.00 0.00 O ATOM 0 H SER A 67 -12.752 5.933 7.885 1.00 0.00 H new ATOM 0 HA SER A 67 -14.885 6.558 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.860 8.160 6.338 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.028 7.377 5.293 1.00 0.00 H new ATOM 0 HG SER A 67 -15.893 9.268 6.315 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.418 3.996 7.120 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.203 2.818 6.760 1.00 0.00 C ATOM 1106 C ASP A 68 -16.408 2.665 5.241 1.00 0.00 C ATOM 1107 O ASP A 68 -17.377 2.049 4.803 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.526 2.799 7.544 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.257 1.461 7.436 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -17.567 0.421 7.520 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.499 1.502 7.295 1.00 0.00 O ATOM 0 H ASP A 68 -14.620 3.772 7.715 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.627 1.940 7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.325 3.015 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -18.174 3.593 7.174 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.473 3.173 4.433 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.402 2.930 3.002 1.00 0.00 C ATOM 1118 C LYS A 69 -14.075 2.233 2.721 1.00 0.00 C ATOM 1119 O LYS A 69 -13.045 2.628 3.270 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.476 4.259 2.244 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.811 4.997 2.404 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.982 4.202 1.811 1.00 0.00 C ATOM 1123 CE LYS A 69 -19.226 5.090 1.707 1.00 0.00 C ATOM 1124 NZ LYS A 69 -20.370 4.343 1.155 1.00 0.00 N ATOM 0 H LYS A 69 -14.727 3.780 4.772 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.234 2.308 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.671 4.907 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.302 4.071 1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.998 5.183 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.749 5.969 1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.712 3.825 0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.196 3.335 2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.483 5.477 2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.010 5.950 1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.198 4.970 1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.131 3.995 0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.589 3.537 1.774 1.00 0.00 H new ATOM 1138 N LEU A 70 -14.100 1.180 1.901 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.917 0.403 1.571 1.00 0.00 C ATOM 1140 C LEU A 70 -12.253 1.016 0.334 1.00 0.00 C ATOM 1141 O LEU A 70 -12.928 1.241 -0.670 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.320 -1.063 1.350 1.00 0.00 C ATOM 1143 CG LEU A 70 -12.124 -2.017 1.481 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.789 -2.293 2.951 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.435 -3.347 0.782 1.00 0.00 C ATOM 0 H LEU A 70 -14.950 0.845 1.448 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.194 0.425 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.086 -1.341 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.763 -1.171 0.360 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.265 -1.538 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.938 -2.972 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.541 -1.356 3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.650 -2.748 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.581 -4.018 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.310 -3.804 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.634 -3.165 -0.274 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.948 1.295 0.411 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.156 1.892 -0.658 1.00 0.00 C ATOM 1159 C PHE A 71 -8.896 1.059 -0.893 1.00 0.00 C ATOM 1160 O PHE A 71 -8.280 0.589 0.063 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.770 3.323 -0.270 1.00 0.00 C ATOM 1162 CG PHE A 71 -10.872 4.348 -0.456 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -10.940 5.070 -1.662 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -11.717 4.698 0.614 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -11.826 6.151 -1.791 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -12.591 5.794 0.489 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.646 6.520 -0.713 1.00 0.00 C ATOM 0 H PHE A 71 -10.400 1.103 1.249 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.744 1.914 -1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.458 3.330 0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -8.907 3.626 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -10.308 4.791 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -11.695 4.126 1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -11.877 6.699 -2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -13.221 6.078 1.319 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.318 7.360 -0.807 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.520 0.880 -2.164 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.325 0.165 -2.585 1.00 0.00 C ATOM 1179 C ARG A 72 -6.162 1.149 -2.632 1.00 0.00 C ATOM 1180 O ARG A 72 -6.117 1.999 -3.531 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.555 -0.459 -3.970 1.00 0.00 C ATOM 1182 CG ARG A 72 -6.435 -1.412 -4.408 1.00 0.00 C ATOM 1183 CD ARG A 72 -6.267 -2.565 -3.411 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.605 -3.724 -4.017 1.00 0.00 N ATOM 1185 CZ ARG A 72 -5.274 -4.843 -3.356 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -5.639 -5.014 -2.080 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -4.549 -5.764 -3.993 1.00 0.00 N ATOM 0 H ARG A 72 -9.061 1.243 -2.948 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.097 -0.635 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.500 -1.002 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.651 0.338 -4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.660 -1.812 -5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.498 -0.862 -4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.686 -2.222 -2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.245 -2.863 -3.033 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.380 -3.676 -5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.174 -4.290 -1.601 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.382 -5.869 -1.586 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.261 -5.608 -4.959 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.283 -6.625 -3.514 1.00 0.00 H new ATOM 1201 N ALA A 73 -5.231 1.035 -1.681 1.00 0.00 N ATOM 1202 CA ALA A 73 -4.066 1.897 -1.588 1.00 0.00 C ATOM 1203 C ALA A 73 -2.837 1.118 -2.047 1.00 0.00 C ATOM 1204 O ALA A 73 -2.664 -0.039 -1.661 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.908 2.402 -0.152 1.00 0.00 C ATOM 0 H ALA A 73 -5.273 0.328 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.186 2.768 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.033 3.048 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.796 2.965 0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.783 1.553 0.520 1.00 0.00 H new ATOM 1211 N ASP A 74 -2.009 1.753 -2.882 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.744 1.231 -3.378 1.00 0.00 C ATOM 1213 C ASP A 74 0.341 2.232 -3.014 1.00 0.00 C ATOM 1214 O ASP A 74 0.220 3.418 -3.330 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.825 1.024 -4.890 1.00 0.00 C ATOM 1216 CG ASP A 74 0.355 0.222 -5.412 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.498 0.691 -5.245 1.00 0.00 O ATOM 1218 OD2 ASP A 74 0.085 -0.857 -5.978 1.00 0.00 O ATOM 0 H ASP A 74 -2.216 2.684 -3.243 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.515 0.264 -2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.753 0.509 -5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.856 1.993 -5.389 1.00 0.00 H new ATOM 1223 N ILE A 75 1.370 1.745 -2.325 1.00 0.00 N ATOM 1224 CA ILE A 75 2.453 2.520 -1.746 1.00 0.00 C ATOM 1225 C ILE A 75 3.768 1.945 -2.249 1.00 0.00 C ATOM 1226 O ILE A 75 3.853 0.733 -2.441 1.00 0.00 O ATOM 1227 CB ILE A 75 2.375 2.455 -0.203 1.00 0.00 C ATOM 1228 CG1 ILE A 75 1.017 2.952 0.331 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.514 3.254 0.445 1.00 0.00 C ATOM 1230 CD1 ILE A 75 0.030 1.800 0.529 1.00 0.00 C ATOM 0 H ILE A 75 1.472 0.745 -2.149 1.00 0.00 H new ATOM 0 HA ILE A 75 2.378 3.567 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 75 2.480 1.405 0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.166 3.470 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.595 3.677 -0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.432 3.189 1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.473 2.843 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.447 4.298 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.915 2.191 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.139 1.298 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.440 1.089 1.246 1.00 0.00 H new ATOM 1242 N SER A 76 4.779 2.801 -2.437 1.00 0.00 N ATOM 1243 CA SER A 76 6.133 2.395 -2.779 1.00 0.00 C ATOM 1244 C SER A 76 7.044 2.667 -1.583 1.00 0.00 C ATOM 1245 O SER A 76 6.710 3.464 -0.706 1.00 0.00 O ATOM 1246 CB SER A 76 6.613 3.133 -4.036 1.00 0.00 C ATOM 1247 OG SER A 76 6.853 2.221 -5.086 1.00 0.00 O ATOM 0 H SER A 76 4.670 3.812 -2.353 1.00 0.00 H new ATOM 0 HA SER A 76 6.158 1.329 -3.005 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.864 3.862 -4.345 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.525 3.687 -3.813 1.00 0.00 H new ATOM 0 HG SER A 76 7.157 2.709 -5.880 1.00 0.00 H new ATOM 1253 N GLU A 77 8.206 2.018 -1.565 1.00 0.00 N ATOM 1254 CA GLU A 77 9.250 2.230 -0.580 1.00 0.00 C ATOM 1255 C GLU A 77 10.578 2.112 -1.345 1.00 0.00 C ATOM 1256 O GLU A 77 10.823 1.065 -1.944 1.00 0.00 O ATOM 1257 CB GLU A 77 9.091 1.158 0.511 1.00 0.00 C ATOM 1258 CG GLU A 77 9.858 1.439 1.805 1.00 0.00 C ATOM 1259 CD GLU A 77 11.363 1.450 1.594 1.00 0.00 C ATOM 1260 OE1 GLU A 77 11.944 0.345 1.517 1.00 0.00 O ATOM 1261 OE2 GLU A 77 11.895 2.571 1.489 1.00 0.00 O ATOM 0 H GLU A 77 8.449 1.310 -2.258 1.00 0.00 H new ATOM 0 HA GLU A 77 9.207 3.201 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.032 1.056 0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.422 0.200 0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.543 2.401 2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.603 0.682 2.547 1.00 0.00 H new ATOM 1268 N ASP A 78 11.402 3.167 -1.372 1.00 0.00 N ATOM 1269 CA ASP A 78 12.640 3.236 -2.143 1.00 0.00 C ATOM 1270 C ASP A 78 13.829 2.896 -1.246 1.00 0.00 C ATOM 1271 O ASP A 78 14.068 3.592 -0.258 1.00 0.00 O ATOM 1272 CB ASP A 78 12.807 4.643 -2.733 1.00 0.00 C ATOM 1273 CG ASP A 78 13.972 4.721 -3.721 1.00 0.00 C ATOM 1274 OD1 ASP A 78 15.092 4.312 -3.346 1.00 0.00 O ATOM 1275 OD2 ASP A 78 13.720 5.196 -4.849 1.00 0.00 O ATOM 0 H ASP A 78 11.216 4.018 -0.841 1.00 0.00 H new ATOM 0 HA ASP A 78 12.596 2.514 -2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.886 4.936 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.969 5.357 -1.925 1.00 0.00 H new ATOM 1280 N TYR A 79 14.598 1.869 -1.619 1.00 0.00 N ATOM 1281 CA TYR A 79 15.700 1.365 -0.816 1.00 0.00 C ATOM 1282 C TYR A 79 16.748 2.441 -0.522 1.00 0.00 C ATOM 1283 O TYR A 79 17.284 2.479 0.582 1.00 0.00 O ATOM 1284 CB TYR A 79 16.338 0.159 -1.520 1.00 0.00 C ATOM 1285 CG TYR A 79 17.406 -0.540 -0.703 1.00 0.00 C ATOM 1286 CD1 TYR A 79 17.035 -1.414 0.336 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.769 -0.289 -0.952 1.00 0.00 C ATOM 1288 CE1 TYR A 79 18.020 -2.032 1.124 1.00 0.00 C ATOM 1289 CE2 TYR A 79 19.754 -0.913 -0.166 1.00 0.00 C ATOM 1290 CZ TYR A 79 19.380 -1.779 0.875 1.00 0.00 C ATOM 1291 OH TYR A 79 20.340 -2.372 1.637 1.00 0.00 O ATOM 0 H TYR A 79 14.467 1.364 -2.496 1.00 0.00 H new ATOM 0 HA TYR A 79 15.297 1.054 0.148 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.556 -0.559 -1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.775 0.491 -2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.990 -1.610 0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 79 19.058 0.383 -1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 79 17.732 -2.702 1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.799 -0.726 -0.363 1.00 0.00 H new ATOM 0 HH TYR A 79 21.225 -2.088 1.328 1.00 0.00 H new ATOM 1301 N LYS A 80 17.059 3.304 -1.498 1.00 0.00 N ATOM 1302 CA LYS A 80 18.161 4.244 -1.405 1.00 0.00 C ATOM 1303 C LYS A 80 18.021 5.132 -0.172 1.00 0.00 C ATOM 1304 O LYS A 80 18.958 5.292 0.605 1.00 0.00 O ATOM 1305 CB LYS A 80 18.195 5.115 -2.665 1.00 0.00 C ATOM 1306 CG LYS A 80 18.510 4.329 -3.944 1.00 0.00 C ATOM 1307 CD LYS A 80 18.430 5.227 -5.191 1.00 0.00 C ATOM 1308 CE LYS A 80 19.360 6.449 -5.153 1.00 0.00 C ATOM 1309 NZ LYS A 80 20.768 6.071 -4.930 1.00 0.00 N ATOM 0 H LYS A 80 16.544 3.362 -2.376 1.00 0.00 H new ATOM 0 HA LYS A 80 19.090 3.680 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.231 5.610 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.942 5.898 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.507 3.896 -3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.809 3.500 -4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 80 18.671 4.629 -6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.403 5.571 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 80 19.277 6.996 -6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.037 7.125 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 21.367 6.920 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.865 5.632 -3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 21.066 5.394 -5.661 1.00 0.00 H new ATOM 1323 N THR A 81 16.845 5.742 -0.031 1.00 0.00 N ATOM 1324 CA THR A 81 16.548 6.729 0.988 1.00 0.00 C ATOM 1325 C THR A 81 15.627 6.161 2.069 1.00 0.00 C ATOM 1326 O THR A 81 15.194 6.921 2.932 1.00 0.00 O ATOM 1327 CB THR A 81 15.892 7.922 0.281 1.00 0.00 C ATOM 1328 OG1 THR A 81 14.923 7.437 -0.633 1.00 0.00 O ATOM 1329 CG2 THR A 81 16.941 8.725 -0.496 1.00 0.00 C ATOM 0 H THR A 81 16.053 5.552 -0.645 1.00 0.00 H new ATOM 0 HA THR A 81 17.463 7.034 1.495 1.00 0.00 H new ATOM 0 HB THR A 81 15.429 8.566 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.497 8.192 -1.089 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.460 9.568 -0.992 1.00 0.00 H new ATOM 0 HG22 THR A 81 17.700 9.095 0.193 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.410 8.084 -1.243 1.00 0.00 H new ATOM 1337 N ARG A 82 15.299 4.861 2.014 1.00 0.00 N ATOM 1338 CA ARG A 82 14.260 4.231 2.817 1.00 0.00 C ATOM 1339 C ARG A 82 12.981 5.079 2.788 1.00 0.00 C ATOM 1340 O ARG A 82 12.315 5.276 3.804 1.00 0.00 O ATOM 1341 CB ARG A 82 14.758 3.841 4.219 1.00 0.00 C ATOM 1342 CG ARG A 82 15.206 5.002 5.115 1.00 0.00 C ATOM 1343 CD ARG A 82 15.355 4.541 6.570 1.00 0.00 C ATOM 1344 NE ARG A 82 15.751 5.651 7.448 1.00 0.00 N ATOM 1345 CZ ARG A 82 14.939 6.635 7.865 1.00 0.00 C ATOM 1346 NH1 ARG A 82 13.662 6.676 7.470 1.00 0.00 N ATOM 1347 NH2 ARG A 82 15.416 7.583 8.678 1.00 0.00 N ATOM 0 H ARG A 82 15.768 4.206 1.388 1.00 0.00 H new ATOM 0 HA ARG A 82 13.993 3.273 2.370 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.961 3.300 4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.593 3.149 4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.155 5.399 4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.479 5.812 5.058 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.412 4.119 6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.100 3.747 6.627 1.00 0.00 H new ATOM 0 HE ARG A 82 16.720 5.676 7.766 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.298 5.956 6.847 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.052 7.428 7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.391 7.555 8.977 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.805 8.334 8.999 1.00 0.00 H new ATOM 1361 N GLY A 83 12.664 5.610 1.601 1.00 0.00 N ATOM 1362 CA GLY A 83 11.648 6.635 1.428 1.00 0.00 C ATOM 1363 C GLY A 83 10.308 6.034 1.033 1.00 0.00 C ATOM 1364 O GLY A 83 10.224 5.330 0.028 1.00 0.00 O ATOM 0 H GLY A 83 13.115 5.332 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.536 7.197 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.970 7.342 0.663 1.00 0.00 H new ATOM 1368 N ARG A 84 9.270 6.355 1.807 1.00 0.00 N ATOM 1369 CA ARG A 84 7.880 6.032 1.505 1.00 0.00 C ATOM 1370 C ARG A 84 7.329 7.014 0.469 1.00 0.00 C ATOM 1371 O ARG A 84 8.007 7.973 0.106 1.00 0.00 O ATOM 1372 CB ARG A 84 7.045 6.060 2.792 1.00 0.00 C ATOM 1373 CG ARG A 84 7.459 4.968 3.787 1.00 0.00 C ATOM 1374 CD ARG A 84 6.904 3.601 3.358 1.00 0.00 C ATOM 1375 NE ARG A 84 7.154 2.569 4.375 1.00 0.00 N ATOM 1376 CZ ARG A 84 6.462 2.438 5.517 1.00 0.00 C ATOM 1377 NH1 ARG A 84 5.506 3.317 5.830 1.00 0.00 N ATOM 1378 NH2 ARG A 84 6.736 1.421 6.341 1.00 0.00 N ATOM 0 H ARG A 84 9.379 6.861 2.686 1.00 0.00 H new ATOM 0 HA ARG A 84 7.825 5.028 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.147 7.036 3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.992 5.937 2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.546 4.921 3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.092 5.218 4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.832 3.683 3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.362 3.302 2.415 1.00 0.00 H new ATOM 0 HE ARG A 84 7.908 1.905 4.200 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.299 4.092 5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.983 3.213 6.699 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.467 0.752 6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.214 1.315 7.211 1.00 0.00 H new ATOM 1392 N LYS A 85 6.091 6.767 0.026 1.00 0.00 N ATOM 1393 CA LYS A 85 5.424 7.388 -1.127 1.00 0.00 C ATOM 1394 C LYS A 85 4.156 6.646 -1.574 1.00 0.00 C ATOM 1395 O LYS A 85 4.223 5.495 -1.996 1.00 0.00 O ATOM 1396 CB LYS A 85 6.364 7.559 -2.321 1.00 0.00 C ATOM 1397 CG LYS A 85 7.017 6.249 -2.785 1.00 0.00 C ATOM 1398 CD LYS A 85 8.548 6.296 -2.768 1.00 0.00 C ATOM 1399 CE LYS A 85 9.125 6.873 -4.067 1.00 0.00 C ATOM 1400 NZ LYS A 85 8.680 8.257 -4.305 1.00 0.00 N ATOM 0 H LYS A 85 5.490 6.086 0.491 1.00 0.00 H new ATOM 0 HA LYS A 85 5.123 8.373 -0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.807 7.991 -3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.146 8.271 -2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.678 5.435 -2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.679 6.020 -3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.882 6.900 -1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.939 5.290 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.214 6.845 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.824 6.246 -4.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.244 8.676 -5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.675 8.257 -4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.806 8.816 -3.437 1.00 0.00 H new ATOM 1414 N LEU A 86 2.996 7.306 -1.531 1.00 0.00 N ATOM 1415 CA LEU A 86 1.777 6.787 -2.134 1.00 0.00 C ATOM 1416 C LEU A 86 1.982 6.743 -3.648 1.00 0.00 C ATOM 1417 O LEU A 86 2.425 7.732 -4.228 1.00 0.00 O ATOM 1418 CB LEU A 86 0.607 7.719 -1.783 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.754 7.264 -2.341 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.332 6.108 -1.518 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.731 8.445 -2.327 1.00 0.00 C ATOM 0 H LEU A 86 2.881 8.212 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 86 1.552 5.787 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.534 7.799 -0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.827 8.717 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.607 6.914 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.293 5.809 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.645 5.262 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.470 6.430 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.695 8.124 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.858 8.800 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.336 9.251 -2.945 1.00 0.00 H new ATOM 1433 N LEU A 87 1.648 5.620 -4.287 1.00 0.00 N ATOM 1434 CA LEU A 87 1.553 5.554 -5.737 1.00 0.00 C ATOM 1435 C LEU A 87 0.137 5.958 -6.130 1.00 0.00 C ATOM 1436 O LEU A 87 -0.045 6.959 -6.819 1.00 0.00 O ATOM 1437 CB LEU A 87 1.906 4.148 -6.249 1.00 0.00 C ATOM 1438 CG LEU A 87 3.406 4.022 -6.553 1.00 0.00 C ATOM 1439 CD1 LEU A 87 3.811 2.546 -6.563 1.00 0.00 C ATOM 1440 CD2 LEU A 87 3.745 4.635 -7.919 1.00 0.00 C ATOM 0 H LEU A 87 1.438 4.741 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 87 2.269 6.236 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.621 3.406 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.331 3.932 -7.150 1.00 0.00 H new ATOM 0 HG LEU A 87 3.952 4.559 -5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.876 2.462 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.603 2.105 -5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.243 2.018 -7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.813 4.532 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.186 4.117 -8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.476 5.691 -7.921 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.864 5.185 -5.694 1.00 0.00 N ATOM 1453 CA ARG A 88 -2.257 5.389 -6.073 1.00 0.00 C ATOM 1454 C ARG A 88 -3.168 5.022 -4.903 1.00 0.00 C ATOM 1455 O ARG A 88 -2.818 4.182 -4.075 1.00 0.00 O ATOM 1456 CB ARG A 88 -2.597 4.547 -7.315 1.00 0.00 C ATOM 1457 CG ARG A 88 -2.180 5.242 -8.620 1.00 0.00 C ATOM 1458 CD ARG A 88 -2.163 4.267 -9.798 1.00 0.00 C ATOM 1459 NE ARG A 88 -1.022 3.346 -9.686 1.00 0.00 N ATOM 1460 CZ ARG A 88 -0.600 2.524 -10.656 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -1.277 2.432 -11.805 1.00 0.00 N ATOM 1462 NH2 ARG A 88 0.508 1.799 -10.467 1.00 0.00 N ATOM 0 H ARG A 88 -0.724 4.396 -5.064 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.413 6.439 -6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.098 3.581 -7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.669 4.351 -7.336 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.869 6.059 -8.834 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.191 5.683 -8.498 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.094 3.701 -9.823 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.101 4.820 -10.735 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.513 3.332 -8.802 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.119 2.989 -11.947 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.951 1.804 -12.540 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.024 1.875 -9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.837 1.170 -11.200 1.00 0.00 H new ATOM 1476 N PHE A 89 -4.338 5.664 -4.854 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.400 5.438 -3.889 1.00 0.00 C ATOM 1478 C PHE A 89 -6.694 5.407 -4.692 1.00 0.00 C ATOM 1479 O PHE A 89 -7.026 6.406 -5.327 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.406 6.580 -2.871 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.421 6.414 -1.762 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -6.077 5.703 -0.599 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -7.687 7.019 -1.867 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -6.988 5.613 0.467 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -8.584 6.955 -0.788 1.00 0.00 C ATOM 1486 CZ PHE A 89 -8.237 6.247 0.375 1.00 0.00 C ATOM 0 H PHE A 89 -4.576 6.394 -5.526 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.271 4.509 -3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.413 6.664 -2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.604 7.516 -3.393 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.111 5.225 -0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.968 7.531 -2.775 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.728 5.057 1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.541 7.451 -0.852 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.932 6.191 1.199 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.377 4.262 -4.730 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.475 4.009 -5.648 1.00 0.00 C ATOM 1498 C ASN A 90 -9.683 3.538 -4.853 1.00 0.00 C ATOM 1499 O ASN A 90 -9.522 2.784 -3.894 1.00 0.00 O ATOM 1500 CB ASN A 90 -8.089 2.903 -6.639 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.657 2.982 -7.167 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -6.422 3.428 -8.285 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -5.681 2.524 -6.382 1.00 0.00 N ATOM 0 H ASN A 90 -7.175 3.476 -4.112 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.703 4.926 -6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.229 1.937 -6.155 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.775 2.938 -7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.715 2.540 -6.708 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.901 2.158 -5.456 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.886 3.944 -5.257 1.00 0.00 N ATOM 1511 CA GLY A 91 -12.130 3.525 -4.628 1.00 0.00 C ATOM 1512 C GLY A 91 -13.094 4.709 -4.543 1.00 0.00 C ATOM 1513 O GLY A 91 -12.935 5.665 -5.305 1.00 0.00 O ATOM 0 H GLY A 91 -11.022 4.582 -6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.583 2.716 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.930 3.135 -3.630 1.00 0.00 H new ATOM 1517 N PRO A 92 -14.075 4.678 -3.629 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.342 3.578 -2.711 1.00 0.00 C ATOM 1519 C PRO A 92 -14.814 2.348 -3.487 1.00 0.00 C ATOM 1520 O PRO A 92 -15.327 2.484 -4.596 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.439 4.099 -1.781 1.00 0.00 C ATOM 1522 CG PRO A 92 -16.194 5.106 -2.648 1.00 0.00 C ATOM 1523 CD PRO A 92 -15.078 5.720 -3.496 1.00 0.00 C ATOM 0 HA PRO A 92 -13.456 3.272 -2.154 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -16.091 3.295 -1.440 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.021 4.570 -0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.952 4.622 -3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.705 5.857 -2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.452 6.032 -4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.662 6.606 -3.016 1.00 0.00 H new ATOM 1531 N VAL A 93 -14.650 1.154 -2.909 1.00 0.00 N ATOM 1532 CA VAL A 93 -15.246 -0.072 -3.430 1.00 0.00 C ATOM 1533 C VAL A 93 -16.161 -0.661 -2.347 1.00 0.00 C ATOM 1534 O VAL A 93 -15.772 -0.677 -1.178 1.00 0.00 O ATOM 1535 CB VAL A 93 -14.175 -1.075 -3.913 1.00 0.00 C ATOM 1536 CG1 VAL A 93 -13.238 -0.456 -4.961 1.00 0.00 C ATOM 1537 CG2 VAL A 93 -13.317 -1.675 -2.795 1.00 0.00 C ATOM 0 H VAL A 93 -14.097 1.014 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 93 -15.842 0.155 -4.314 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.758 -1.883 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.501 -1.196 -5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -13.820 -0.137 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -12.728 0.405 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.593 -2.367 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.790 -0.877 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -13.957 -2.209 -2.092 1.00 0.00 H new ATOM 1547 N PRO A 94 -17.375 -1.124 -2.683 1.00 0.00 N ATOM 1548 CA PRO A 94 -18.209 -1.853 -1.743 1.00 0.00 C ATOM 1549 C PRO A 94 -17.681 -3.289 -1.625 1.00 0.00 C ATOM 1550 O PRO A 94 -17.089 -3.802 -2.576 1.00 0.00 O ATOM 1551 CB PRO A 94 -19.610 -1.824 -2.358 1.00 0.00 C ATOM 1552 CG PRO A 94 -19.323 -1.833 -3.861 1.00 0.00 C ATOM 1553 CD PRO A 94 -18.025 -1.032 -3.983 1.00 0.00 C ATOM 0 HA PRO A 94 -18.212 -1.425 -0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -20.202 -2.687 -2.055 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -20.165 -0.935 -2.058 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -19.205 -2.848 -4.241 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -20.133 -1.373 -4.427 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -17.387 -1.439 -4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.230 0.006 -4.245 1.00 0.00 H new ATOM 1561 N PRO A 95 -17.891 -3.969 -0.488 1.00 0.00 N ATOM 1562 CA PRO A 95 -17.593 -5.386 -0.377 1.00 0.00 C ATOM 1563 C PRO A 95 -18.608 -6.182 -1.212 1.00 0.00 C ATOM 1564 O PRO A 95 -19.744 -5.736 -1.378 1.00 0.00 O ATOM 1565 CB PRO A 95 -17.717 -5.698 1.116 1.00 0.00 C ATOM 1566 CG PRO A 95 -18.780 -4.704 1.589 1.00 0.00 C ATOM 1567 CD PRO A 95 -18.518 -3.469 0.724 1.00 0.00 C ATOM 0 HA PRO A 95 -16.603 -5.651 -0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -18.024 -6.730 1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -16.771 -5.556 1.638 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -19.788 -5.092 1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -18.677 -4.480 2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -19.446 -2.944 0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -17.869 -2.760 1.238 1.00 0.00 H new ATOM 1575 N PRO A 96 -18.233 -7.358 -1.738 1.00 0.00 N ATOM 1576 CA PRO A 96 -19.151 -8.212 -2.476 1.00 0.00 C ATOM 1577 C PRO A 96 -20.221 -8.790 -1.543 1.00 0.00 C ATOM 1578 O PRO A 96 -21.344 -9.014 -2.044 1.00 0.00 O ATOM 1579 CB PRO A 96 -18.274 -9.307 -3.090 1.00 0.00 C ATOM 1580 CG PRO A 96 -17.112 -9.420 -2.103 1.00 0.00 C ATOM 1581 CD PRO A 96 -16.924 -7.979 -1.625 1.00 0.00 C ATOM 1582 OXT PRO A 96 -19.895 -9.022 -0.357 1.00 0.00 O ATOM 0 HA PRO A 96 -19.696 -7.667 -3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -18.814 -10.249 -3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -17.930 -9.035 -4.088 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -17.348 -10.091 -1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -16.212 -9.807 -2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.564 -7.951 -0.597 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -16.188 -7.456 -2.235 1.00 0.00 H new TER 1590 PRO A 96