USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=19 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 76 SER OG : rot 22:sc= 0.902 USER MOD Set 1.2: A 85 LYS NZ :NH3+ 140:sc= 0.893 (180deg=-0.0115) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 170:sc= 1.26 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 14 ASN : amide:sc= -0.402 K(o=-0.4,f=-2.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.79 K(o=1.8,f=-5.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 29 TYR OH : rot 127:sc= 1.28 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.175 X(o=0.18,f=-0.075) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 102:sc= 0.658 USER MOD Single : A 42 MET CE :methyl 172:sc= -0.0109 (180deg=-0.137) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 0.497 (180deg=0.431) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0554 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0455 X(o=-0.045,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= 0.507 (180deg=0.00374) USER MOD Single : A 58 TYR OH : rot 0:sc= 0.168 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 1.02 K(o=1,f=-4.9!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -49:sc= 1.18 USER MOD Single : A 67 SER OG : rot -47:sc= 0.704 USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.11) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 90 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.372 -11.733 -9.601 1.00 0.00 N ATOM 2 CA GLY A 1 9.312 -11.303 -8.552 1.00 0.00 C ATOM 3 C GLY A 1 9.109 -12.107 -7.271 1.00 0.00 C ATOM 4 O GLY A 1 9.884 -13.015 -6.987 1.00 0.00 O ATOM 0 H1 GLY A 1 8.531 -11.171 -10.461 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.524 -12.740 -9.812 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.396 -11.593 -9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.336 -11.426 -8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.171 -10.242 -8.346 1.00 0.00 H new ATOM 10 N GLU A 2 8.059 -11.762 -6.520 1.00 0.00 N ATOM 11 CA GLU A 2 7.643 -12.392 -5.269 1.00 0.00 C ATOM 12 C GLU A 2 6.392 -11.654 -4.776 1.00 0.00 C ATOM 13 O GLU A 2 6.454 -10.878 -3.827 1.00 0.00 O ATOM 14 CB GLU A 2 8.786 -12.392 -4.222 1.00 0.00 C ATOM 15 CG GLU A 2 9.330 -13.802 -3.942 1.00 0.00 C ATOM 16 CD GLU A 2 8.307 -14.670 -3.213 1.00 0.00 C ATOM 17 OE1 GLU A 2 8.131 -14.439 -1.997 1.00 0.00 O ATOM 18 OE2 GLU A 2 7.714 -15.540 -3.887 1.00 0.00 O ATOM 0 H GLU A 2 7.444 -10.993 -6.786 1.00 0.00 H new ATOM 0 HA GLU A 2 7.405 -13.443 -5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.598 -11.757 -4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.422 -11.956 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.606 -14.278 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.238 -13.729 -3.343 1.00 0.00 H new ATOM 25 N TRP A 3 5.256 -11.856 -5.451 1.00 0.00 N ATOM 26 CA TRP A 3 3.979 -11.377 -4.937 1.00 0.00 C ATOM 27 C TRP A 3 3.624 -12.212 -3.709 1.00 0.00 C ATOM 28 O TRP A 3 3.498 -13.429 -3.833 1.00 0.00 O ATOM 29 CB TRP A 3 2.868 -11.510 -5.992 1.00 0.00 C ATOM 30 CG TRP A 3 2.662 -10.339 -6.904 1.00 0.00 C ATOM 31 CD1 TRP A 3 2.666 -10.376 -8.256 1.00 0.00 C ATOM 32 CD2 TRP A 3 2.339 -8.958 -6.546 1.00 0.00 C ATOM 33 NE1 TRP A 3 2.401 -9.117 -8.754 1.00 0.00 N ATOM 34 CE2 TRP A 3 2.194 -8.200 -7.744 1.00 0.00 C ATOM 35 CE3 TRP A 3 2.162 -8.269 -5.328 1.00 0.00 C ATOM 36 CZ2 TRP A 3 1.898 -6.828 -7.734 1.00 0.00 C ATOM 37 CZ3 TRP A 3 1.879 -6.889 -5.303 1.00 0.00 C ATOM 38 CH2 TRP A 3 1.742 -6.170 -6.503 1.00 0.00 C ATOM 0 H TRP A 3 5.199 -12.343 -6.345 1.00 0.00 H new ATOM 0 HA TRP A 3 4.065 -10.321 -4.680 1.00 0.00 H new ATOM 0 HB2 TRP A 3 3.084 -12.385 -6.605 1.00 0.00 H new ATOM 0 HB3 TRP A 3 1.929 -11.707 -5.474 1.00 0.00 H new ATOM 0 HD1 TRP A 3 2.849 -11.256 -8.854 1.00 0.00 H new ATOM 0 HE1 TRP A 3 2.363 -8.891 -9.748 1.00 0.00 H new ATOM 0 HE3 TRP A 3 2.245 -8.810 -4.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.792 -6.285 -8.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.767 -6.381 -4.357 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.517 -5.114 -6.478 1.00 0.00 H new ATOM 49 N GLU A 4 3.444 -11.583 -2.544 1.00 0.00 N ATOM 50 CA GLU A 4 2.965 -12.284 -1.359 1.00 0.00 C ATOM 51 C GLU A 4 2.143 -11.331 -0.496 1.00 0.00 C ATOM 52 O GLU A 4 2.338 -10.117 -0.546 1.00 0.00 O ATOM 53 CB GLU A 4 4.158 -12.896 -0.607 1.00 0.00 C ATOM 54 CG GLU A 4 3.806 -13.767 0.609 1.00 0.00 C ATOM 55 CD GLU A 4 2.858 -14.914 0.269 1.00 0.00 C ATOM 56 OE1 GLU A 4 1.633 -14.663 0.308 1.00 0.00 O ATOM 57 OE2 GLU A 4 3.372 -16.013 -0.029 1.00 0.00 O ATOM 0 H GLU A 4 3.624 -10.589 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 4 2.307 -13.106 -1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.734 -13.500 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.808 -12.086 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.723 -14.175 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.350 -13.142 1.377 1.00 0.00 H new ATOM 64 N ILE A 5 1.209 -11.901 0.269 1.00 0.00 N ATOM 65 CA ILE A 5 0.368 -11.198 1.226 1.00 0.00 C ATOM 66 C ILE A 5 1.213 -10.926 2.471 1.00 0.00 C ATOM 67 O ILE A 5 1.954 -11.803 2.912 1.00 0.00 O ATOM 68 CB ILE A 5 -0.869 -12.039 1.593 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.619 -12.616 0.378 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.857 -11.230 2.442 1.00 0.00 C ATOM 71 CD1 ILE A 5 -2.248 -13.970 0.710 1.00 0.00 C ATOM 0 H ILE A 5 1.015 -12.902 0.234 1.00 0.00 H new ATOM 0 HA ILE A 5 0.009 -10.264 0.793 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.474 -12.880 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.395 -11.919 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.930 -12.727 -0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.720 -11.850 2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.369 -10.910 3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.186 -10.354 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.771 -14.353 -0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.467 -14.672 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.955 -13.851 1.531 1.00 0.00 H new ATOM 83 N ILE A 6 1.099 -9.732 3.048 1.00 0.00 N ATOM 84 CA ILE A 6 1.803 -9.364 4.268 1.00 0.00 C ATOM 85 C ILE A 6 0.852 -9.402 5.465 1.00 0.00 C ATOM 86 O ILE A 6 -0.360 -9.274 5.304 1.00 0.00 O ATOM 87 CB ILE A 6 2.480 -7.996 4.103 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.496 -6.866 3.757 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.587 -8.093 3.043 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.073 -5.501 4.131 1.00 0.00 C ATOM 0 H ILE A 6 0.509 -8.988 2.676 1.00 0.00 H new ATOM 0 HA ILE A 6 2.591 -10.092 4.461 1.00 0.00 H new ATOM 0 HB ILE A 6 2.911 -7.734 5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.271 -6.889 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.556 -7.024 4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.066 -7.121 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.328 -8.828 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.153 -8.399 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.356 -4.721 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.274 -5.472 5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.000 -5.335 3.583 1.00 0.00 H new ATOM 102 N ASP A 7 1.402 -9.579 6.670 1.00 0.00 N ATOM 103 CA ASP A 7 0.631 -9.588 7.901 1.00 0.00 C ATOM 104 C ASP A 7 0.100 -8.194 8.171 1.00 0.00 C ATOM 105 O ASP A 7 0.862 -7.234 8.164 1.00 0.00 O ATOM 106 CB ASP A 7 1.505 -9.949 9.108 1.00 0.00 C ATOM 107 CG ASP A 7 2.165 -11.313 8.966 1.00 0.00 C ATOM 108 OD1 ASP A 7 3.205 -11.364 8.273 1.00 0.00 O ATOM 109 OD2 ASP A 7 1.618 -12.277 9.543 1.00 0.00 O ATOM 0 H ASP A 7 2.402 -9.720 6.812 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.166 -10.321 7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.275 -9.188 9.235 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.894 -9.937 10.011 1.00 0.00 H new ATOM 114 N ILE A 8 -1.185 -8.086 8.470 1.00 0.00 N ATOM 115 CA ILE A 8 -1.749 -6.896 9.051 1.00 0.00 C ATOM 116 C ILE A 8 -1.294 -6.837 10.520 1.00 0.00 C ATOM 117 O ILE A 8 -0.948 -7.860 11.108 1.00 0.00 O ATOM 118 CB ILE A 8 -3.265 -6.946 8.841 1.00 0.00 C ATOM 119 CG1 ILE A 8 -3.918 -8.257 9.326 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.543 -6.705 7.349 1.00 0.00 C ATOM 121 CD1 ILE A 8 -5.438 -8.125 9.472 1.00 0.00 C ATOM 0 H ILE A 8 -1.863 -8.831 8.312 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.408 -5.971 8.585 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.720 -6.168 9.453 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.690 -9.057 8.622 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.486 -8.544 10.285 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.618 -6.735 7.170 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.154 -5.729 7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.055 -7.480 6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.854 -9.072 9.816 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.667 -7.344 10.197 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.875 -7.865 8.508 1.00 0.00 H new ATOM 133 N GLY A 9 -1.235 -5.636 11.096 1.00 0.00 N ATOM 134 CA GLY A 9 -0.582 -5.356 12.364 1.00 0.00 C ATOM 135 C GLY A 9 -0.090 -3.904 12.337 1.00 0.00 C ATOM 136 O GLY A 9 -0.358 -3.195 11.363 1.00 0.00 O ATOM 0 H GLY A 9 -1.656 -4.808 10.675 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.276 -5.507 13.191 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.254 -6.038 12.520 1.00 0.00 H new ATOM 140 N PRO A 10 0.626 -3.452 13.380 1.00 0.00 N ATOM 141 CA PRO A 10 0.992 -2.052 13.564 1.00 0.00 C ATOM 142 C PRO A 10 1.817 -1.500 12.399 1.00 0.00 C ATOM 143 O PRO A 10 1.544 -0.407 11.913 1.00 0.00 O ATOM 144 CB PRO A 10 1.731 -1.984 14.906 1.00 0.00 C ATOM 145 CG PRO A 10 2.187 -3.420 15.162 1.00 0.00 C ATOM 146 CD PRO A 10 1.093 -4.254 14.499 1.00 0.00 C ATOM 0 HA PRO A 10 0.108 -1.415 13.578 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.579 -1.300 14.859 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.077 -1.627 15.702 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.165 -3.617 14.723 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.267 -3.634 16.228 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.481 -5.214 14.160 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.283 -4.466 15.196 1.00 0.00 H new ATOM 154 N PHE A 11 2.819 -2.250 11.934 1.00 0.00 N ATOM 155 CA PHE A 11 3.638 -1.864 10.791 1.00 0.00 C ATOM 156 C PHE A 11 2.763 -1.559 9.567 1.00 0.00 C ATOM 157 O PHE A 11 2.851 -0.498 8.946 1.00 0.00 O ATOM 158 CB PHE A 11 4.638 -2.989 10.494 1.00 0.00 C ATOM 159 CG PHE A 11 5.504 -2.749 9.275 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.650 -1.937 9.373 1.00 0.00 C ATOM 161 CD2 PHE A 11 5.158 -3.325 8.036 1.00 0.00 C ATOM 162 CE1 PHE A 11 7.461 -1.723 8.245 1.00 0.00 C ATOM 163 CE2 PHE A 11 5.972 -3.114 6.911 1.00 0.00 C ATOM 164 CZ PHE A 11 7.126 -2.316 7.015 1.00 0.00 C ATOM 0 H PHE A 11 3.083 -3.146 12.344 1.00 0.00 H new ATOM 0 HA PHE A 11 4.186 -0.952 11.027 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.283 -3.124 11.362 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.089 -3.920 10.357 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.906 -1.478 10.316 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.267 -3.929 7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.342 -1.103 8.323 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.712 -3.565 5.965 1.00 0.00 H new ATOM 0 HZ PHE A 11 7.754 -2.159 6.151 1.00 0.00 H new ATOM 174 N THR A 12 1.899 -2.509 9.217 1.00 0.00 N ATOM 175 CA THR A 12 1.090 -2.430 8.017 1.00 0.00 C ATOM 176 C THR A 12 0.058 -1.317 8.150 1.00 0.00 C ATOM 177 O THR A 12 -0.174 -0.572 7.198 1.00 0.00 O ATOM 178 CB THR A 12 0.506 -3.809 7.756 1.00 0.00 C ATOM 179 OG1 THR A 12 1.615 -4.684 7.747 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.238 -3.896 6.421 1.00 0.00 C ATOM 0 H THR A 12 1.744 -3.356 9.764 1.00 0.00 H new ATOM 0 HA THR A 12 1.682 -2.158 7.143 1.00 0.00 H new ATOM 0 HB THR A 12 -0.231 -4.058 8.519 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.300 -5.612 7.742 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.633 -4.903 6.290 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.060 -3.180 6.415 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.449 -3.666 5.606 1.00 0.00 H new ATOM 188 N GLN A 13 -0.523 -1.171 9.345 1.00 0.00 N ATOM 189 CA GLN A 13 -1.330 -0.017 9.673 1.00 0.00 C ATOM 190 C GLN A 13 -0.533 1.245 9.383 1.00 0.00 C ATOM 191 O GLN A 13 -0.991 2.039 8.577 1.00 0.00 O ATOM 192 CB GLN A 13 -1.790 -0.102 11.133 1.00 0.00 C ATOM 193 CG GLN A 13 -2.926 -1.117 11.318 1.00 0.00 C ATOM 194 CD GLN A 13 -3.309 -1.299 12.785 1.00 0.00 C ATOM 195 OE1 GLN A 13 -2.516 -1.043 13.685 1.00 0.00 O ATOM 196 NE2 GLN A 13 -4.533 -1.747 13.046 1.00 0.00 N ATOM 0 H GLN A 13 -0.441 -1.851 10.100 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.230 0.010 9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.946 -0.383 11.763 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.124 0.881 11.466 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.799 -0.788 10.755 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.623 -2.078 10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.175 -1.953 12.280 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.830 -1.885 14.012 1.00 0.00 H new ATOM 205 N ASN A 14 0.655 1.418 9.969 1.00 0.00 N ATOM 206 CA ASN A 14 1.480 2.608 9.769 1.00 0.00 C ATOM 207 C ASN A 14 1.573 2.962 8.281 1.00 0.00 C ATOM 208 O ASN A 14 1.263 4.086 7.892 1.00 0.00 O ATOM 209 CB ASN A 14 2.862 2.416 10.414 1.00 0.00 C ATOM 210 CG ASN A 14 3.690 3.699 10.441 1.00 0.00 C ATOM 211 OD1 ASN A 14 3.770 4.429 9.460 1.00 0.00 O ATOM 212 ND2 ASN A 14 4.334 3.987 11.570 1.00 0.00 N ATOM 0 H ASN A 14 1.072 0.732 10.598 1.00 0.00 H new ATOM 0 HA ASN A 14 1.007 3.455 10.265 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.734 2.051 11.433 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.409 1.648 9.867 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.907 4.829 11.630 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.254 3.366 12.375 1.00 0.00 H new ATOM 219 N LEU A 15 1.911 1.989 7.431 1.00 0.00 N ATOM 220 CA LEU A 15 1.979 2.228 5.989 1.00 0.00 C ATOM 221 C LEU A 15 0.612 2.634 5.419 1.00 0.00 C ATOM 222 O LEU A 15 0.493 3.648 4.728 1.00 0.00 O ATOM 223 CB LEU A 15 2.554 1.004 5.265 1.00 0.00 C ATOM 224 CG LEU A 15 4.055 0.793 5.531 1.00 0.00 C ATOM 225 CD1 LEU A 15 4.477 -0.556 4.942 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.918 1.894 4.893 1.00 0.00 C ATOM 0 H LEU A 15 2.140 1.036 7.714 1.00 0.00 H new ATOM 0 HA LEU A 15 2.655 3.066 5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.007 0.115 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.394 1.116 4.193 1.00 0.00 H new ATOM 0 HG LEU A 15 4.209 0.824 6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.540 -0.716 5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.903 -1.354 5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.289 -0.559 3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.969 1.702 5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.763 1.898 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.634 2.863 5.304 1.00 0.00 H new ATOM 238 N GLY A 16 -0.436 1.867 5.723 1.00 0.00 N ATOM 239 CA GLY A 16 -1.798 2.185 5.296 1.00 0.00 C ATOM 240 C GLY A 16 -2.291 3.536 5.833 1.00 0.00 C ATOM 241 O GLY A 16 -3.171 4.171 5.253 1.00 0.00 O ATOM 0 H GLY A 16 -0.364 1.010 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.839 2.196 4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.472 1.398 5.633 1.00 0.00 H new ATOM 245 N LYS A 17 -1.725 3.979 6.951 1.00 0.00 N ATOM 246 CA LYS A 17 -2.118 5.169 7.674 1.00 0.00 C ATOM 247 C LYS A 17 -1.475 6.330 6.943 1.00 0.00 C ATOM 248 O LYS A 17 -2.153 7.247 6.506 1.00 0.00 O ATOM 249 CB LYS A 17 -1.635 5.080 9.132 1.00 0.00 C ATOM 250 CG LYS A 17 -2.481 5.905 10.096 1.00 0.00 C ATOM 251 CD LYS A 17 -2.513 7.368 9.663 1.00 0.00 C ATOM 252 CE LYS A 17 -3.105 8.258 10.761 1.00 0.00 C ATOM 253 NZ LYS A 17 -3.193 9.663 10.321 1.00 0.00 N ATOM 0 H LYS A 17 -0.945 3.491 7.392 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.200 5.291 7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.647 4.037 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.600 5.418 9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.495 5.508 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.074 5.827 11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.503 7.702 9.426 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.104 7.468 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.097 7.896 11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.488 8.193 11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.597 10.241 11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.242 10.014 10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.802 9.726 9.480 1.00 0.00 H new ATOM 267 N PHE A 18 -0.159 6.245 6.782 1.00 0.00 N ATOM 268 CA PHE A 18 0.650 7.110 5.945 1.00 0.00 C ATOM 269 C PHE A 18 -0.017 7.314 4.585 1.00 0.00 C ATOM 270 O PHE A 18 -0.136 8.445 4.118 1.00 0.00 O ATOM 271 CB PHE A 18 2.051 6.492 5.839 1.00 0.00 C ATOM 272 CG PHE A 18 2.912 7.030 4.719 1.00 0.00 C ATOM 273 CD1 PHE A 18 3.667 8.201 4.911 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.983 6.336 3.496 1.00 0.00 C ATOM 275 CE1 PHE A 18 4.522 8.655 3.894 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.832 6.797 2.476 1.00 0.00 C ATOM 277 CZ PHE A 18 4.614 7.945 2.685 1.00 0.00 C ATOM 0 H PHE A 18 0.396 5.534 7.258 1.00 0.00 H new ATOM 0 HA PHE A 18 0.744 8.104 6.383 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.572 6.650 6.783 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.946 5.415 5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.589 8.749 5.838 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.385 5.450 3.342 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.109 9.550 4.041 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.883 6.271 1.534 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.289 8.283 1.913 1.00 0.00 H new ATOM 287 N ALA A 19 -0.504 6.232 3.975 1.00 0.00 N ATOM 288 CA ALA A 19 -1.228 6.316 2.715 1.00 0.00 C ATOM 289 C ALA A 19 -2.415 7.274 2.835 1.00 0.00 C ATOM 290 O ALA A 19 -2.544 8.222 2.060 1.00 0.00 O ATOM 291 CB ALA A 19 -1.675 4.923 2.264 1.00 0.00 C ATOM 0 H ALA A 19 -0.407 5.284 4.339 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.559 6.717 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.215 5.002 1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.801 4.286 2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.328 4.488 3.020 1.00 0.00 H new ATOM 297 N VAL A 20 -3.272 7.039 3.828 1.00 0.00 N ATOM 298 CA VAL A 20 -4.430 7.895 4.073 1.00 0.00 C ATOM 299 C VAL A 20 -4.001 9.321 4.423 1.00 0.00 C ATOM 300 O VAL A 20 -4.646 10.270 3.998 1.00 0.00 O ATOM 301 CB VAL A 20 -5.349 7.299 5.152 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.462 8.280 5.558 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.019 6.039 4.597 1.00 0.00 C ATOM 0 H VAL A 20 -3.184 6.258 4.479 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.006 7.945 3.149 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.735 7.078 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.090 7.822 6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.016 9.192 5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.070 8.522 4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.673 5.610 5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.607 6.297 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.255 5.311 4.323 1.00 0.00 H new ATOM 313 N ASP A 21 -2.932 9.491 5.199 1.00 0.00 N ATOM 314 CA ASP A 21 -2.427 10.794 5.592 1.00 0.00 C ATOM 315 C ASP A 21 -2.029 11.589 4.348 1.00 0.00 C ATOM 316 O ASP A 21 -2.441 12.731 4.176 1.00 0.00 O ATOM 317 CB ASP A 21 -1.256 10.621 6.565 1.00 0.00 C ATOM 318 CG ASP A 21 -0.659 11.971 6.943 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.220 12.596 7.868 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.342 12.352 6.299 1.00 0.00 O ATOM 0 H ASP A 21 -2.389 8.714 5.575 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.204 11.358 6.108 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.597 10.106 7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.489 9.994 6.110 1.00 0.00 H new ATOM 325 N GLU A 22 -1.258 10.958 3.462 1.00 0.00 N ATOM 326 CA GLU A 22 -0.857 11.519 2.183 1.00 0.00 C ATOM 327 C GLU A 22 -2.114 11.867 1.375 1.00 0.00 C ATOM 328 O GLU A 22 -2.256 12.986 0.880 1.00 0.00 O ATOM 329 CB GLU A 22 0.057 10.510 1.463 1.00 0.00 C ATOM 330 CG GLU A 22 0.965 11.149 0.403 1.00 0.00 C ATOM 331 CD GLU A 22 0.202 11.759 -0.767 1.00 0.00 C ATOM 332 OE1 GLU A 22 -0.672 11.048 -1.308 1.00 0.00 O ATOM 333 OE2 GLU A 22 0.518 12.920 -1.103 1.00 0.00 O ATOM 0 H GLU A 22 -0.889 10.021 3.623 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.289 12.440 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.677 10.003 2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.561 9.748 0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.570 11.923 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.653 10.394 0.023 1.00 0.00 H new ATOM 340 N GLU A 23 -3.041 10.910 1.268 1.00 0.00 N ATOM 341 CA GLU A 23 -4.268 11.093 0.510 1.00 0.00 C ATOM 342 C GLU A 23 -5.023 12.315 1.029 1.00 0.00 C ATOM 343 O GLU A 23 -5.414 13.176 0.250 1.00 0.00 O ATOM 344 CB GLU A 23 -5.114 9.816 0.583 1.00 0.00 C ATOM 345 CG GLU A 23 -6.253 9.809 -0.443 1.00 0.00 C ATOM 346 CD GLU A 23 -7.388 10.776 -0.111 1.00 0.00 C ATOM 347 OE1 GLU A 23 -7.959 10.625 0.988 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.666 11.647 -0.964 1.00 0.00 O ATOM 0 H GLU A 23 -2.956 9.992 1.705 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.035 11.276 -0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.474 8.950 0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.531 9.717 1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.848 10.061 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.658 8.800 -0.516 1.00 0.00 H new ATOM 355 N ASN A 24 -5.212 12.394 2.345 1.00 0.00 N ATOM 356 CA ASN A 24 -5.864 13.489 3.032 1.00 0.00 C ATOM 357 C ASN A 24 -5.114 14.788 2.774 1.00 0.00 C ATOM 358 O ASN A 24 -5.740 15.826 2.575 1.00 0.00 O ATOM 359 CB ASN A 24 -5.872 13.202 4.536 1.00 0.00 C ATOM 360 CG ASN A 24 -7.009 12.305 5.012 1.00 0.00 C ATOM 361 OD1 ASN A 24 -7.829 11.819 4.239 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.088 12.108 6.323 1.00 0.00 N ATOM 0 H ASN A 24 -4.899 11.661 2.982 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.885 13.587 2.664 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.924 12.737 4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.928 14.150 5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.843 11.541 6.709 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.393 12.523 6.944 1.00 0.00 H new ATOM 369 N LYS A 25 -3.779 14.746 2.797 1.00 0.00 N ATOM 370 CA LYS A 25 -2.972 15.931 2.559 1.00 0.00 C ATOM 371 C LYS A 25 -3.228 16.487 1.153 1.00 0.00 C ATOM 372 O LYS A 25 -3.288 17.701 0.982 1.00 0.00 O ATOM 373 CB LYS A 25 -1.495 15.630 2.851 1.00 0.00 C ATOM 374 CG LYS A 25 -0.648 16.910 2.881 1.00 0.00 C ATOM 375 CD LYS A 25 0.657 16.656 3.642 1.00 0.00 C ATOM 376 CE LYS A 25 1.523 17.920 3.664 1.00 0.00 C ATOM 377 NZ LYS A 25 2.693 17.752 4.543 1.00 0.00 N ATOM 0 H LYS A 25 -3.240 13.900 2.979 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.265 16.724 3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.411 15.116 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.105 14.953 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.428 17.235 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.207 17.715 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.434 16.343 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.206 15.841 3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.856 18.153 2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.927 18.766 4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.260 18.624 4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.373 17.553 5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.273 16.960 4.201 1.00 0.00 H new ATOM 391 N ILE A 26 -3.415 15.615 0.155 1.00 0.00 N ATOM 392 CA ILE A 26 -3.902 16.050 -1.155 1.00 0.00 C ATOM 393 C ILE A 26 -5.358 16.527 -1.025 1.00 0.00 C ATOM 394 O ILE A 26 -5.726 17.573 -1.555 1.00 0.00 O ATOM 395 CB ILE A 26 -3.751 14.927 -2.205 1.00 0.00 C ATOM 396 CG1 ILE A 26 -2.266 14.553 -2.368 1.00 0.00 C ATOM 397 CG2 ILE A 26 -4.335 15.374 -3.557 1.00 0.00 C ATOM 398 CD1 ILE A 26 -2.044 13.373 -3.321 1.00 0.00 C ATOM 0 H ILE A 26 -3.238 14.613 0.230 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.297 16.886 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.302 14.052 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.718 15.419 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.850 14.306 -1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.221 14.572 -4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.393 15.607 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.805 16.260 -3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.978 13.159 -3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.565 12.495 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.431 13.625 -4.308 1.00 0.00 H new ATOM 410 N GLY A 27 -6.191 15.736 -0.351 1.00 0.00 N ATOM 411 CA GLY A 27 -7.603 15.991 -0.125 1.00 0.00 C ATOM 412 C GLY A 27 -8.457 15.523 -1.301 1.00 0.00 C ATOM 413 O GLY A 27 -9.608 15.938 -1.424 1.00 0.00 O ATOM 0 H GLY A 27 -5.880 14.860 0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.924 15.481 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.759 17.058 0.036 1.00 0.00 H new ATOM 417 N GLN A 28 -7.924 14.637 -2.150 1.00 0.00 N ATOM 418 CA GLN A 28 -8.614 14.172 -3.348 1.00 0.00 C ATOM 419 C GLN A 28 -9.972 13.561 -2.991 1.00 0.00 C ATOM 420 O GLN A 28 -10.962 13.814 -3.673 1.00 0.00 O ATOM 421 CB GLN A 28 -7.719 13.186 -4.112 1.00 0.00 C ATOM 422 CG GLN A 28 -8.343 12.777 -5.454 1.00 0.00 C ATOM 423 CD GLN A 28 -7.403 11.878 -6.249 1.00 0.00 C ATOM 424 OE1 GLN A 28 -7.644 10.686 -6.397 1.00 0.00 O ATOM 425 NE2 GLN A 28 -6.315 12.441 -6.767 1.00 0.00 N ATOM 0 H GLN A 28 -7.000 14.224 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.813 15.021 -4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.744 13.640 -4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.552 12.298 -3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.284 12.257 -5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.576 13.669 -6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.140 13.436 -6.628 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.656 11.878 -7.304 1.00 0.00 H new ATOM 434 N TYR A 29 -10.011 12.780 -1.909 1.00 0.00 N ATOM 435 CA TYR A 29 -11.239 12.233 -1.343 1.00 0.00 C ATOM 436 C TYR A 29 -11.537 12.891 0.009 1.00 0.00 C ATOM 437 O TYR A 29 -12.075 12.268 0.922 1.00 0.00 O ATOM 438 CB TYR A 29 -11.120 10.712 -1.232 1.00 0.00 C ATOM 439 CG TYR A 29 -11.146 9.973 -2.557 1.00 0.00 C ATOM 440 CD1 TYR A 29 -9.950 9.709 -3.253 1.00 0.00 C ATOM 441 CD2 TYR A 29 -12.368 9.497 -3.069 1.00 0.00 C ATOM 442 CE1 TYR A 29 -9.975 8.931 -4.425 1.00 0.00 C ATOM 443 CE2 TYR A 29 -12.389 8.713 -4.236 1.00 0.00 C ATOM 444 CZ TYR A 29 -11.188 8.403 -4.896 1.00 0.00 C ATOM 445 OH TYR A 29 -11.181 7.480 -5.899 1.00 0.00 O ATOM 0 H TYR A 29 -9.173 12.507 -1.395 1.00 0.00 H new ATOM 0 HA TYR A 29 -12.080 12.453 -2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.191 10.471 -0.716 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.935 10.342 -0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.014 10.104 -2.887 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -13.292 9.735 -2.564 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.059 8.739 -4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.328 8.349 -4.625 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.693 6.692 -5.622 1.00 0.00 H new ATOM 455 N GLY A 30 -11.212 14.177 0.126 1.00 0.00 N ATOM 456 CA GLY A 30 -11.436 14.952 1.333 1.00 0.00 C ATOM 457 C GLY A 30 -10.636 14.410 2.521 1.00 0.00 C ATOM 458 O GLY A 30 -9.585 13.794 2.353 1.00 0.00 O ATOM 0 H GLY A 30 -10.780 14.712 -0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.159 15.991 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.498 14.943 1.577 1.00 0.00 H new ATOM 462 N ARG A 31 -11.137 14.677 3.729 1.00 0.00 N ATOM 463 CA ARG A 31 -10.524 14.293 4.993 1.00 0.00 C ATOM 464 C ARG A 31 -11.095 12.951 5.461 1.00 0.00 C ATOM 465 O ARG A 31 -12.034 12.913 6.255 1.00 0.00 O ATOM 466 CB ARG A 31 -10.726 15.413 6.033 1.00 0.00 C ATOM 467 CG ARG A 31 -12.112 16.079 5.979 1.00 0.00 C ATOM 468 CD ARG A 31 -12.368 16.912 7.241 1.00 0.00 C ATOM 469 NE ARG A 31 -13.566 17.754 7.103 1.00 0.00 N ATOM 470 CZ ARG A 31 -14.836 17.325 7.149 1.00 0.00 C ATOM 471 NH1 ARG A 31 -15.110 16.027 7.320 1.00 0.00 N ATOM 472 NH2 ARG A 31 -15.833 18.207 7.021 1.00 0.00 N ATOM 0 H ARG A 31 -12.013 15.185 3.853 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.450 14.161 4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.572 15.000 7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.962 16.176 5.882 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.179 16.717 5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.883 15.315 5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.486 16.248 8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.502 17.542 7.443 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.418 18.753 6.960 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.350 15.354 7.417 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -16.079 15.710 7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -15.625 19.197 6.890 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -16.802 17.890 7.055 1.00 0.00 H new ATOM 486 N LEU A 32 -10.533 11.840 4.978 1.00 0.00 N ATOM 487 CA LEU A 32 -10.957 10.509 5.392 1.00 0.00 C ATOM 488 C LEU A 32 -10.390 10.181 6.775 1.00 0.00 C ATOM 489 O LEU A 32 -9.261 10.543 7.096 1.00 0.00 O ATOM 490 CB LEU A 32 -10.496 9.459 4.375 1.00 0.00 C ATOM 491 CG LEU A 32 -11.038 9.670 2.953 1.00 0.00 C ATOM 492 CD1 LEU A 32 -10.464 8.577 2.049 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.570 9.602 2.902 1.00 0.00 C ATOM 0 H LEU A 32 -9.777 11.842 4.294 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.046 10.493 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.407 9.460 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.803 8.473 4.725 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.738 10.663 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.838 8.711 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.376 8.641 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.768 7.599 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.907 9.757 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.903 8.624 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.990 10.377 3.543 1.00 0.00 H new ATOM 505 N THR A 33 -11.162 9.464 7.595 1.00 0.00 N ATOM 506 CA THR A 33 -10.743 9.036 8.923 1.00 0.00 C ATOM 507 C THR A 33 -10.312 7.570 8.851 1.00 0.00 C ATOM 508 O THR A 33 -11.161 6.681 8.888 1.00 0.00 O ATOM 509 CB THR A 33 -11.900 9.256 9.909 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.288 10.616 9.868 1.00 0.00 O ATOM 511 CG2 THR A 33 -11.499 8.924 11.349 1.00 0.00 C ATOM 0 H THR A 33 -12.105 9.163 7.349 1.00 0.00 H new ATOM 0 HA THR A 33 -9.893 9.620 9.277 1.00 0.00 H new ATOM 0 HB THR A 33 -12.715 8.595 9.613 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.028 10.764 10.494 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.348 9.094 12.011 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.195 7.879 11.410 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.669 9.562 11.652 1.00 0.00 H new ATOM 519 N PHE A 34 -9.004 7.311 8.723 1.00 0.00 N ATOM 520 CA PHE A 34 -8.458 5.955 8.741 1.00 0.00 C ATOM 521 C PHE A 34 -9.063 5.152 9.886 1.00 0.00 C ATOM 522 O PHE A 34 -9.039 5.589 11.035 1.00 0.00 O ATOM 523 CB PHE A 34 -6.932 5.982 8.852 1.00 0.00 C ATOM 524 CG PHE A 34 -6.260 4.644 9.116 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.019 4.228 10.441 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.769 3.872 8.046 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.243 3.084 10.692 1.00 0.00 C ATOM 528 CE2 PHE A 34 -4.989 2.729 8.298 1.00 0.00 C ATOM 529 CZ PHE A 34 -4.703 2.352 9.620 1.00 0.00 C ATOM 0 H PHE A 34 -8.298 8.038 8.604 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.721 5.470 7.801 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.527 6.393 7.927 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.658 6.668 9.653 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.432 4.790 11.266 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.992 4.158 7.029 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.061 2.767 11.708 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.610 2.141 7.475 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.068 1.500 9.813 1.00 0.00 H new ATOM 539 N ASN A 35 -9.629 3.998 9.544 1.00 0.00 N ATOM 540 CA ASN A 35 -10.165 3.051 10.512 1.00 0.00 C ATOM 541 C ASN A 35 -9.074 2.020 10.786 1.00 0.00 C ATOM 542 O ASN A 35 -8.575 1.933 11.905 1.00 0.00 O ATOM 543 CB ASN A 35 -11.450 2.380 9.996 1.00 0.00 C ATOM 544 CG ASN A 35 -12.717 3.236 10.067 1.00 0.00 C ATOM 545 OD1 ASN A 35 -13.801 2.700 10.261 1.00 0.00 O ATOM 546 ND2 ASN A 35 -12.641 4.554 9.892 1.00 0.00 N ATOM 0 H ASN A 35 -9.729 3.692 8.576 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.443 3.568 11.431 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.292 2.082 8.960 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.617 1.467 10.568 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.488 5.122 9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.736 4.996 9.731 1.00 0.00 H new ATOM 553 N LYS A 36 -8.712 1.238 9.765 1.00 0.00 N ATOM 554 CA LYS A 36 -7.706 0.184 9.834 1.00 0.00 C ATOM 555 C LYS A 36 -7.503 -0.382 8.430 1.00 0.00 C ATOM 556 O LYS A 36 -8.275 -0.067 7.529 1.00 0.00 O ATOM 557 CB LYS A 36 -8.092 -0.914 10.845 1.00 0.00 C ATOM 558 CG LYS A 36 -9.527 -1.453 10.684 1.00 0.00 C ATOM 559 CD LYS A 36 -10.396 -1.144 11.913 1.00 0.00 C ATOM 560 CE LYS A 36 -9.995 -1.988 13.131 1.00 0.00 C ATOM 561 NZ LYS A 36 -10.724 -1.560 14.339 1.00 0.00 N ATOM 0 H LYS A 36 -9.128 1.327 8.838 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.767 0.603 10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.392 -1.744 10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.977 -0.518 11.854 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.983 -1.013 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.494 -2.531 10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.309 -0.086 12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.443 -1.330 11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.201 -3.040 12.932 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.922 -1.900 13.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.433 -2.148 15.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.507 -0.563 14.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.747 -1.667 14.183 1.00 0.00 H new ATOM 575 N VAL A 37 -6.478 -1.213 8.237 1.00 0.00 N ATOM 576 CA VAL A 37 -6.188 -1.896 6.984 1.00 0.00 C ATOM 577 C VAL A 37 -6.447 -3.387 7.152 1.00 0.00 C ATOM 578 O VAL A 37 -6.149 -3.933 8.215 1.00 0.00 O ATOM 579 CB VAL A 37 -4.743 -1.580 6.577 1.00 0.00 C ATOM 580 CG1 VAL A 37 -3.695 -2.051 7.593 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.381 -2.146 5.202 1.00 0.00 C ATOM 0 H VAL A 37 -5.808 -1.434 8.974 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.839 -1.550 6.182 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.716 -0.491 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.699 -1.792 7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.874 -1.565 8.552 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.767 -3.132 7.715 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.348 -1.893 4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.496 -3.230 5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.042 -1.719 4.447 1.00 0.00 H new ATOM 591 N ILE A 38 -7.008 -4.029 6.123 1.00 0.00 N ATOM 592 CA ILE A 38 -7.256 -5.469 6.123 1.00 0.00 C ATOM 593 C ILE A 38 -6.912 -6.071 4.755 1.00 0.00 C ATOM 594 O ILE A 38 -6.481 -5.365 3.846 1.00 0.00 O ATOM 595 CB ILE A 38 -8.665 -5.843 6.649 1.00 0.00 C ATOM 596 CG1 ILE A 38 -9.821 -5.742 5.641 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.026 -5.117 7.954 1.00 0.00 C ATOM 598 CD1 ILE A 38 -9.980 -4.375 4.983 1.00 0.00 C ATOM 0 H ILE A 38 -7.303 -3.561 5.266 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.582 -5.929 6.846 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.558 -6.909 6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.671 -6.489 4.862 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -10.751 -5.995 6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.023 -5.418 8.274 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.303 -5.377 8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.008 -4.040 7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.820 -4.401 4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.165 -3.622 5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.068 -4.124 4.441 1.00 0.00 H new ATOM 610 N ARG A 39 -7.070 -7.389 4.631 1.00 0.00 N ATOM 611 CA ARG A 39 -6.829 -8.130 3.399 1.00 0.00 C ATOM 612 C ARG A 39 -7.746 -7.649 2.257 1.00 0.00 C ATOM 613 O ARG A 39 -8.854 -7.187 2.529 1.00 0.00 O ATOM 614 CB ARG A 39 -7.034 -9.633 3.663 1.00 0.00 C ATOM 615 CG ARG A 39 -8.352 -9.930 4.396 1.00 0.00 C ATOM 616 CD ARG A 39 -8.767 -11.396 4.250 1.00 0.00 C ATOM 617 NE ARG A 39 -9.976 -11.657 5.044 1.00 0.00 N ATOM 618 CZ ARG A 39 -10.890 -12.607 4.801 1.00 0.00 C ATOM 619 NH1 ARG A 39 -10.732 -13.469 3.791 1.00 0.00 N ATOM 620 NH2 ARG A 39 -11.972 -12.686 5.581 1.00 0.00 N ATOM 0 H ARG A 39 -7.376 -7.981 5.403 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.802 -7.951 3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.021 -10.170 2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.200 -10.011 4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.243 -9.687 5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.140 -9.288 4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.954 -11.627 3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.957 -12.047 4.581 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.134 -11.060 5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.908 -13.409 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.436 -14.187 3.618 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.095 -12.028 6.351 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.675 -13.404 5.407 1.00 0.00 H new ATOM 634 N PRO A 40 -7.358 -7.822 0.981 1.00 0.00 N ATOM 635 CA PRO A 40 -6.045 -8.256 0.518 1.00 0.00 C ATOM 636 C PRO A 40 -4.996 -7.165 0.762 1.00 0.00 C ATOM 637 O PRO A 40 -5.323 -5.985 0.904 1.00 0.00 O ATOM 638 CB PRO A 40 -6.225 -8.592 -0.966 1.00 0.00 C ATOM 639 CG PRO A 40 -7.388 -7.707 -1.397 1.00 0.00 C ATOM 640 CD PRO A 40 -8.256 -7.618 -0.142 1.00 0.00 C ATOM 0 HA PRO A 40 -5.677 -9.127 1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.323 -8.375 -1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.449 -9.648 -1.113 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.046 -6.723 -1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.935 -8.143 -2.233 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.749 -6.648 -0.076 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.041 -8.374 -0.156 1.00 0.00 H new ATOM 648 N CYS A 41 -3.728 -7.574 0.867 1.00 0.00 N ATOM 649 CA CYS A 41 -2.663 -6.748 1.373 1.00 0.00 C ATOM 650 C CYS A 41 -1.350 -7.354 0.916 1.00 0.00 C ATOM 651 O CYS A 41 -0.698 -8.083 1.658 1.00 0.00 O ATOM 652 CB CYS A 41 -2.786 -6.613 2.892 1.00 0.00 C ATOM 653 SG CYS A 41 -2.873 -8.189 3.779 1.00 0.00 S ATOM 0 H CYS A 41 -3.423 -8.508 0.594 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.715 -5.732 0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.932 -6.047 3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.679 -6.031 3.122 1.00 0.00 H new ATOM 0 HG CYS A 41 -1.717 -8.451 4.313 1.00 0.00 H new ATOM 659 N MET A 42 -1.014 -7.093 -0.348 1.00 0.00 N ATOM 660 CA MET A 42 0.091 -7.722 -1.049 1.00 0.00 C ATOM 661 C MET A 42 1.318 -6.815 -1.058 1.00 0.00 C ATOM 662 O MET A 42 1.202 -5.602 -0.878 1.00 0.00 O ATOM 663 CB MET A 42 -0.334 -8.085 -2.476 1.00 0.00 C ATOM 664 CG MET A 42 -1.103 -9.408 -2.557 1.00 0.00 C ATOM 665 SD MET A 42 -2.737 -9.446 -1.786 1.00 0.00 S ATOM 666 CE MET A 42 -3.358 -11.010 -2.445 1.00 0.00 C ATOM 0 H MET A 42 -1.521 -6.419 -0.922 1.00 0.00 H new ATOM 0 HA MET A 42 0.362 -8.637 -0.523 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.956 -7.285 -2.878 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.552 -8.148 -3.108 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.217 -9.671 -3.609 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.492 -10.185 -2.098 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.301 -11.261 -1.959 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.517 -10.915 -3.519 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.631 -11.799 -2.255 1.00 0.00 H new ATOM 676 N LYS A 43 2.488 -7.410 -1.299 1.00 0.00 N ATOM 677 CA LYS A 43 3.746 -6.718 -1.521 1.00 0.00 C ATOM 678 C LYS A 43 4.516 -7.447 -2.622 1.00 0.00 C ATOM 679 O LYS A 43 4.377 -8.666 -2.747 1.00 0.00 O ATOM 680 CB LYS A 43 4.534 -6.704 -0.203 1.00 0.00 C ATOM 681 CG LYS A 43 5.880 -5.964 -0.278 1.00 0.00 C ATOM 682 CD LYS A 43 6.674 -6.166 1.016 1.00 0.00 C ATOM 683 CE LYS A 43 7.363 -7.539 1.046 1.00 0.00 C ATOM 684 NZ LYS A 43 7.588 -7.999 2.426 1.00 0.00 N ATOM 0 H LYS A 43 2.582 -8.425 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 43 3.581 -5.688 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.920 -6.240 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.715 -7.732 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.457 -6.331 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.709 -4.901 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.423 -5.380 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.006 -6.074 1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.750 -8.267 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.316 -7.481 0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.055 -8.928 2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.193 -7.316 2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.676 -8.078 2.919 1.00 0.00 H new ATOM 698 N LYS A 44 5.323 -6.707 -3.399 1.00 0.00 N ATOM 699 CA LYS A 44 6.302 -7.271 -4.325 1.00 0.00 C ATOM 700 C LYS A 44 7.524 -6.359 -4.441 1.00 0.00 C ATOM 701 O LYS A 44 7.395 -5.138 -4.445 1.00 0.00 O ATOM 702 CB LYS A 44 5.682 -7.505 -5.709 1.00 0.00 C ATOM 703 CG LYS A 44 6.621 -8.321 -6.610 1.00 0.00 C ATOM 704 CD LYS A 44 6.029 -8.594 -7.998 1.00 0.00 C ATOM 705 CE LYS A 44 5.986 -7.344 -8.886 1.00 0.00 C ATOM 706 NZ LYS A 44 7.337 -6.833 -9.188 1.00 0.00 N ATOM 0 H LYS A 44 5.309 -5.687 -3.397 1.00 0.00 H new ATOM 0 HA LYS A 44 6.621 -8.234 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.732 -8.029 -5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.465 -6.546 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.564 -7.786 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.848 -9.270 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.619 -9.365 -8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.019 -8.988 -7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.471 -7.579 -9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.407 -6.566 -8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.274 -6.098 -9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.756 -6.428 -8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.935 -7.612 -9.530 1.00 0.00 H new ATOM 720 N THR A 45 8.706 -6.960 -4.573 1.00 0.00 N ATOM 721 CA THR A 45 9.963 -6.295 -4.878 1.00 0.00 C ATOM 722 C THR A 45 9.909 -5.553 -6.220 1.00 0.00 C ATOM 723 O THR A 45 9.352 -6.073 -7.187 1.00 0.00 O ATOM 724 CB THR A 45 11.046 -7.382 -4.907 1.00 0.00 C ATOM 725 OG1 THR A 45 10.834 -8.268 -3.824 1.00 0.00 O ATOM 726 CG2 THR A 45 12.454 -6.793 -4.823 1.00 0.00 C ATOM 0 H THR A 45 8.813 -7.969 -4.465 1.00 0.00 H new ATOM 0 HA THR A 45 10.177 -5.540 -4.121 1.00 0.00 H new ATOM 0 HB THR A 45 10.972 -7.911 -5.857 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.520 -8.968 -3.835 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.188 -7.599 -4.847 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.620 -6.126 -5.669 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.560 -6.234 -3.893 1.00 0.00 H new ATOM 734 N ILE A 46 10.530 -4.370 -6.283 1.00 0.00 N ATOM 735 CA ILE A 46 10.715 -3.570 -7.489 1.00 0.00 C ATOM 736 C ILE A 46 12.220 -3.413 -7.767 1.00 0.00 C ATOM 737 O ILE A 46 12.991 -2.972 -6.907 1.00 0.00 O ATOM 738 CB ILE A 46 9.921 -2.245 -7.378 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.831 -2.137 -8.459 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.782 -0.975 -7.439 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.704 -3.161 -8.275 1.00 0.00 C ATOM 0 H ILE A 46 10.933 -3.929 -5.456 1.00 0.00 H new ATOM 0 HA ILE A 46 10.301 -4.070 -8.365 1.00 0.00 H new ATOM 0 HB ILE A 46 9.475 -2.296 -6.385 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.408 -1.132 -8.443 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.285 -2.276 -9.440 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.142 -0.097 -7.354 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.499 -0.982 -6.618 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.317 -0.943 -8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.966 -3.036 -9.067 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.117 -4.169 -8.320 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.227 -3.007 -7.307 1.00 0.00 H new ATOM 753 N TYR A 47 12.636 -3.801 -8.976 1.00 0.00 N ATOM 754 CA TYR A 47 13.994 -3.674 -9.492 1.00 0.00 C ATOM 755 C TYR A 47 14.050 -2.477 -10.441 1.00 0.00 C ATOM 756 O TYR A 47 13.002 -1.983 -10.858 1.00 0.00 O ATOM 757 CB TYR A 47 14.381 -4.961 -10.235 1.00 0.00 C ATOM 758 CG TYR A 47 14.533 -6.189 -9.356 1.00 0.00 C ATOM 759 CD1 TYR A 47 13.397 -6.900 -8.924 1.00 0.00 C ATOM 760 CD2 TYR A 47 15.818 -6.672 -9.044 1.00 0.00 C ATOM 761 CE1 TYR A 47 13.545 -8.077 -8.170 1.00 0.00 C ATOM 762 CE2 TYR A 47 15.965 -7.859 -8.307 1.00 0.00 C ATOM 763 CZ TYR A 47 14.830 -8.560 -7.868 1.00 0.00 C ATOM 764 OH TYR A 47 14.984 -9.708 -7.149 1.00 0.00 O ATOM 0 H TYR A 47 12.003 -4.232 -9.650 1.00 0.00 H new ATOM 0 HA TYR A 47 14.696 -3.519 -8.672 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.625 -5.167 -10.993 1.00 0.00 H new ATOM 0 HB3 TYR A 47 15.321 -4.791 -10.761 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.410 -6.540 -9.173 1.00 0.00 H new ATOM 0 HD2 TYR A 47 16.692 -6.129 -9.372 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.672 -8.610 -7.823 1.00 0.00 H new ATOM 0 HE2 TYR A 47 16.952 -8.233 -8.078 1.00 0.00 H new ATOM 0 HH TYR A 47 15.939 -9.896 -7.033 1.00 0.00 H new ATOM 774 N GLU A 48 15.261 -2.023 -10.784 1.00 0.00 N ATOM 775 CA GLU A 48 15.459 -1.014 -11.819 1.00 0.00 C ATOM 776 C GLU A 48 15.902 -1.689 -13.126 1.00 0.00 C ATOM 777 O GLU A 48 15.470 -2.800 -13.425 1.00 0.00 O ATOM 778 CB GLU A 48 16.419 0.078 -11.312 1.00 0.00 C ATOM 779 CG GLU A 48 16.082 1.445 -11.936 1.00 0.00 C ATOM 780 CD GLU A 48 17.123 2.498 -11.575 1.00 0.00 C ATOM 781 OE1 GLU A 48 18.276 2.315 -12.020 1.00 0.00 O ATOM 782 OE2 GLU A 48 16.746 3.458 -10.868 1.00 0.00 O ATOM 0 H GLU A 48 16.126 -2.346 -10.351 1.00 0.00 H new ATOM 0 HA GLU A 48 14.522 -0.505 -12.046 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.357 0.145 -10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.446 -0.194 -11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.024 1.346 -13.020 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.100 1.770 -11.592 1.00 0.00 H new ATOM 789 N ASN A 49 16.747 -1.013 -13.910 1.00 0.00 N ATOM 790 CA ASN A 49 17.158 -1.434 -15.246 1.00 0.00 C ATOM 791 C ASN A 49 18.397 -0.661 -15.692 1.00 0.00 C ATOM 792 O ASN A 49 19.322 -1.239 -16.254 1.00 0.00 O ATOM 793 CB ASN A 49 16.016 -1.204 -16.243 1.00 0.00 C ATOM 794 CG ASN A 49 16.444 -1.560 -17.665 1.00 0.00 C ATOM 795 OD1 ASN A 49 16.392 -2.716 -18.065 1.00 0.00 O ATOM 796 ND2 ASN A 49 16.866 -0.570 -18.449 1.00 0.00 N ATOM 0 H ASN A 49 17.174 -0.133 -13.621 1.00 0.00 H new ATOM 0 HA ASN A 49 17.400 -2.496 -15.215 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.154 -1.807 -15.958 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.702 -0.161 -16.205 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.155 -0.766 -19.407 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.900 0.385 -18.091 1.00 0.00 H new ATOM 803 N GLU A 50 18.412 0.655 -15.455 1.00 0.00 N ATOM 804 CA GLU A 50 19.517 1.533 -15.825 1.00 0.00 C ATOM 805 C GLU A 50 20.730 1.321 -14.906 1.00 0.00 C ATOM 806 O GLU A 50 21.147 2.234 -14.199 1.00 0.00 O ATOM 807 CB GLU A 50 19.038 2.992 -15.791 1.00 0.00 C ATOM 808 CG GLU A 50 17.904 3.253 -16.792 1.00 0.00 C ATOM 809 CD GLU A 50 17.471 4.715 -16.755 1.00 0.00 C ATOM 810 OE1 GLU A 50 18.190 5.535 -17.364 1.00 0.00 O ATOM 811 OE2 GLU A 50 16.434 4.982 -16.111 1.00 0.00 O ATOM 0 H GLU A 50 17.644 1.143 -14.994 1.00 0.00 H new ATOM 0 HA GLU A 50 19.841 1.290 -16.837 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.696 3.237 -14.785 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.876 3.653 -16.013 1.00 0.00 H new ATOM 0 HG2 GLU A 50 18.234 2.993 -17.798 1.00 0.00 H new ATOM 0 HG3 GLU A 50 17.054 2.612 -16.560 1.00 0.00 H new ATOM 818 N GLY A 51 21.304 0.119 -14.921 1.00 0.00 N ATOM 819 CA GLY A 51 22.434 -0.279 -14.115 1.00 0.00 C ATOM 820 C GLY A 51 22.510 -1.797 -14.188 1.00 0.00 C ATOM 821 O GLY A 51 21.863 -2.415 -15.032 1.00 0.00 O ATOM 0 H GLY A 51 20.971 -0.631 -15.527 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.353 0.173 -14.487 1.00 0.00 H new ATOM 0 HA3 GLY A 51 22.310 0.053 -13.084 1.00 0.00 H new ATOM 825 N PHE A 52 23.282 -2.400 -13.290 1.00 0.00 N ATOM 826 CA PHE A 52 23.259 -3.843 -13.097 1.00 0.00 C ATOM 827 C PHE A 52 21.988 -4.215 -12.322 1.00 0.00 C ATOM 828 O PHE A 52 21.306 -3.338 -11.792 1.00 0.00 O ATOM 829 CB PHE A 52 24.538 -4.291 -12.375 1.00 0.00 C ATOM 830 CG PHE A 52 24.711 -5.796 -12.308 1.00 0.00 C ATOM 831 CD1 PHE A 52 25.025 -6.517 -13.475 1.00 0.00 C ATOM 832 CD2 PHE A 52 24.442 -6.488 -11.112 1.00 0.00 C ATOM 833 CE1 PHE A 52 25.077 -7.921 -13.446 1.00 0.00 C ATOM 834 CE2 PHE A 52 24.491 -7.893 -11.085 1.00 0.00 C ATOM 835 CZ PHE A 52 24.810 -8.610 -12.250 1.00 0.00 C ATOM 0 H PHE A 52 23.935 -1.907 -12.681 1.00 0.00 H new ATOM 0 HA PHE A 52 23.236 -4.362 -14.055 1.00 0.00 H new ATOM 0 HB2 PHE A 52 25.400 -3.858 -12.882 1.00 0.00 H new ATOM 0 HB3 PHE A 52 24.530 -3.891 -11.361 1.00 0.00 H new ATOM 0 HD1 PHE A 52 25.227 -5.990 -14.396 1.00 0.00 H new ATOM 0 HD2 PHE A 52 24.198 -5.939 -10.214 1.00 0.00 H new ATOM 0 HE1 PHE A 52 25.322 -8.471 -14.343 1.00 0.00 H new ATOM 0 HE2 PHE A 52 24.283 -8.422 -10.167 1.00 0.00 H new ATOM 0 HZ PHE A 52 24.850 -9.689 -12.227 1.00 0.00 H new ATOM 845 N ARG A 53 21.669 -5.509 -12.241 1.00 0.00 N ATOM 846 CA ARG A 53 20.552 -5.994 -11.442 1.00 0.00 C ATOM 847 C ARG A 53 20.719 -5.542 -9.987 1.00 0.00 C ATOM 848 O ARG A 53 21.618 -6.020 -9.297 1.00 0.00 O ATOM 849 CB ARG A 53 20.460 -7.525 -11.544 1.00 0.00 C ATOM 850 CG ARG A 53 19.420 -8.096 -10.566 1.00 0.00 C ATOM 851 CD ARG A 53 19.203 -9.597 -10.774 1.00 0.00 C ATOM 852 NE ARG A 53 18.414 -9.860 -11.983 1.00 0.00 N ATOM 853 CZ ARG A 53 17.946 -11.066 -12.329 1.00 0.00 C ATOM 854 NH1 ARG A 53 18.268 -12.147 -11.610 1.00 0.00 N ATOM 855 NH2 ARG A 53 17.148 -11.183 -13.396 1.00 0.00 N ATOM 0 H ARG A 53 22.180 -6.245 -12.728 1.00 0.00 H new ATOM 0 HA ARG A 53 19.621 -5.574 -11.823 1.00 0.00 H new ATOM 0 HB2 ARG A 53 20.195 -7.807 -12.563 1.00 0.00 H new ATOM 0 HB3 ARG A 53 21.436 -7.963 -11.335 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.747 -7.915 -9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 53 18.474 -7.571 -10.696 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.168 -10.099 -10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.694 -10.016 -9.906 1.00 0.00 H new ATOM 0 HE ARG A 53 18.209 -9.074 -12.599 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.873 -12.055 -10.794 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.909 -13.063 -11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.900 -10.357 -13.940 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.788 -12.098 -13.666 1.00 0.00 H new ATOM 869 N GLU A 54 19.828 -4.663 -9.520 1.00 0.00 N ATOM 870 CA GLU A 54 19.684 -4.275 -8.135 1.00 0.00 C ATOM 871 C GLU A 54 18.202 -4.045 -7.849 1.00 0.00 C ATOM 872 O GLU A 54 17.452 -3.610 -8.727 1.00 0.00 O ATOM 873 CB GLU A 54 20.496 -3.009 -7.821 1.00 0.00 C ATOM 874 CG GLU A 54 21.995 -3.304 -7.677 1.00 0.00 C ATOM 875 CD GLU A 54 22.774 -2.062 -7.253 1.00 0.00 C ATOM 876 OE1 GLU A 54 22.476 -1.556 -6.148 1.00 0.00 O ATOM 877 OE2 GLU A 54 23.651 -1.642 -8.038 1.00 0.00 O ATOM 0 H GLU A 54 19.164 -4.188 -10.132 1.00 0.00 H new ATOM 0 HA GLU A 54 20.070 -5.070 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.346 -2.277 -8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.125 -2.561 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.142 -4.095 -6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.386 -3.674 -8.625 1.00 0.00 H new ATOM 884 N ILE A 55 17.801 -4.342 -6.613 1.00 0.00 N ATOM 885 CA ILE A 55 16.488 -4.019 -6.084 1.00 0.00 C ATOM 886 C ILE A 55 16.480 -2.518 -5.798 1.00 0.00 C ATOM 887 O ILE A 55 17.370 -2.022 -5.111 1.00 0.00 O ATOM 888 CB ILE A 55 16.215 -4.856 -4.821 1.00 0.00 C ATOM 889 CG1 ILE A 55 16.097 -6.338 -5.222 1.00 0.00 C ATOM 890 CG2 ILE A 55 14.938 -4.374 -4.114 1.00 0.00 C ATOM 891 CD1 ILE A 55 16.098 -7.297 -4.028 1.00 0.00 C ATOM 0 H ILE A 55 18.398 -4.825 -5.941 1.00 0.00 H new ATOM 0 HA ILE A 55 15.694 -4.257 -6.792 1.00 0.00 H new ATOM 0 HB ILE A 55 17.040 -4.737 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.178 -6.480 -5.791 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.924 -6.594 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.764 -4.979 -3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.054 -3.329 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.089 -4.471 -4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.012 -8.323 -4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.028 -7.183 -3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.255 -7.068 -3.377 1.00 0.00 H new ATOM 903 N LYS A 56 15.491 -1.801 -6.330 1.00 0.00 N ATOM 904 CA LYS A 56 15.323 -0.378 -6.081 1.00 0.00 C ATOM 905 C LYS A 56 14.439 -0.181 -4.855 1.00 0.00 C ATOM 906 O LYS A 56 14.646 0.743 -4.068 1.00 0.00 O ATOM 907 CB LYS A 56 14.730 0.280 -7.332 1.00 0.00 C ATOM 908 CG LYS A 56 14.461 1.777 -7.135 1.00 0.00 C ATOM 909 CD LYS A 56 14.221 2.442 -8.496 1.00 0.00 C ATOM 910 CE LYS A 56 13.853 3.924 -8.358 1.00 0.00 C ATOM 911 NZ LYS A 56 12.536 4.107 -7.721 1.00 0.00 N ATOM 0 H LYS A 56 14.783 -2.197 -6.948 1.00 0.00 H new ATOM 0 HA LYS A 56 16.283 0.095 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.414 0.144 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.799 -0.222 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.592 1.919 -6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.308 2.246 -6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.118 2.347 -9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.421 1.918 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.615 4.434 -7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.847 4.390 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.075 4.952 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.943 3.272 -7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.660 4.226 -6.695 1.00 0.00 H new ATOM 925 N GLY A 57 13.424 -1.029 -4.695 1.00 0.00 N ATOM 926 CA GLY A 57 12.427 -0.817 -3.670 1.00 0.00 C ATOM 927 C GLY A 57 11.430 -1.959 -3.659 1.00 0.00 C ATOM 928 O GLY A 57 11.731 -3.052 -4.138 1.00 0.00 O ATOM 0 H GLY A 57 13.279 -1.863 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.909 -0.737 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.909 0.125 -3.847 1.00 0.00 H new ATOM 932 N TYR A 58 10.239 -1.698 -3.127 1.00 0.00 N ATOM 933 CA TYR A 58 9.138 -2.635 -3.087 1.00 0.00 C ATOM 934 C TYR A 58 7.852 -1.833 -3.257 1.00 0.00 C ATOM 935 O TYR A 58 7.803 -0.661 -2.879 1.00 0.00 O ATOM 936 CB TYR A 58 9.122 -3.406 -1.759 1.00 0.00 C ATOM 937 CG TYR A 58 10.485 -3.749 -1.174 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.223 -2.756 -0.501 1.00 0.00 C ATOM 939 CD2 TYR A 58 11.075 -5.003 -1.419 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.576 -2.970 -0.187 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.426 -5.221 -1.094 1.00 0.00 C ATOM 942 CZ TYR A 58 13.187 -4.191 -0.516 1.00 0.00 C ATOM 943 OH TYR A 58 14.514 -4.387 -0.274 1.00 0.00 O ATOM 0 H TYR A 58 10.014 -0.799 -2.701 1.00 0.00 H new ATOM 0 HA TYR A 58 9.239 -3.372 -3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.571 -2.817 -1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.567 -4.333 -1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.747 -1.826 -0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.490 -5.798 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.145 -2.196 0.307 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.879 -6.182 -1.289 1.00 0.00 H new ATOM 0 HH TYR A 58 14.895 -3.580 0.131 1.00 0.00 H new ATOM 953 N GLU A 59 6.831 -2.476 -3.813 1.00 0.00 N ATOM 954 CA GLU A 59 5.468 -1.980 -3.918 1.00 0.00 C ATOM 955 C GLU A 59 4.632 -2.726 -2.881 1.00 0.00 C ATOM 956 O GLU A 59 4.894 -3.905 -2.632 1.00 0.00 O ATOM 957 CB GLU A 59 4.947 -2.204 -5.344 1.00 0.00 C ATOM 958 CG GLU A 59 3.545 -1.610 -5.548 1.00 0.00 C ATOM 959 CD GLU A 59 3.096 -1.722 -7.001 1.00 0.00 C ATOM 960 OE1 GLU A 59 3.646 -0.956 -7.823 1.00 0.00 O ATOM 961 OE2 GLU A 59 2.224 -2.578 -7.267 1.00 0.00 O ATOM 0 H GLU A 59 6.940 -3.404 -4.223 1.00 0.00 H new ATOM 0 HA GLU A 59 5.413 -0.909 -3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.638 -1.754 -6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.922 -3.273 -5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.833 -2.127 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.545 -0.563 -5.246 1.00 0.00 H new ATOM 968 N TYR A 60 3.652 -2.042 -2.286 1.00 0.00 N ATOM 969 CA TYR A 60 2.733 -2.552 -1.285 1.00 0.00 C ATOM 970 C TYR A 60 1.349 -2.161 -1.776 1.00 0.00 C ATOM 971 O TYR A 60 1.194 -1.057 -2.291 1.00 0.00 O ATOM 972 CB TYR A 60 2.998 -1.882 0.068 1.00 0.00 C ATOM 973 CG TYR A 60 4.331 -2.208 0.709 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.504 -1.573 0.260 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.381 -3.060 1.828 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.723 -1.817 0.910 1.00 0.00 C ATOM 977 CE2 TYR A 60 5.598 -3.277 2.497 1.00 0.00 C ATOM 978 CZ TYR A 60 6.770 -2.656 2.034 1.00 0.00 C ATOM 979 OH TYR A 60 7.962 -2.880 2.657 1.00 0.00 O ATOM 0 H TYR A 60 3.475 -1.062 -2.508 1.00 0.00 H new ATOM 0 HA TYR A 60 2.841 -3.628 -1.151 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.932 -0.802 -0.062 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.204 -2.169 0.757 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.466 -0.899 -0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.482 -3.548 2.174 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.629 -1.357 0.544 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.632 -3.919 3.365 1.00 0.00 H new ATOM 0 HH TYR A 60 7.825 -3.482 3.418 1.00 0.00 H new ATOM 989 N GLN A 61 0.363 -3.046 -1.652 1.00 0.00 N ATOM 990 CA GLN A 61 -0.946 -2.867 -2.251 1.00 0.00 C ATOM 991 C GLN A 61 -1.973 -3.378 -1.244 1.00 0.00 C ATOM 992 O GLN A 61 -2.138 -4.589 -1.099 1.00 0.00 O ATOM 993 CB GLN A 61 -0.936 -3.612 -3.589 1.00 0.00 C ATOM 994 CG GLN A 61 -2.024 -3.117 -4.538 1.00 0.00 C ATOM 995 CD GLN A 61 -1.740 -3.642 -5.938 1.00 0.00 C ATOM 996 OE1 GLN A 61 -2.344 -4.617 -6.372 1.00 0.00 O ATOM 997 NE2 GLN A 61 -0.796 -3.023 -6.639 1.00 0.00 N ATOM 0 H GLN A 61 0.457 -3.915 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.205 -1.831 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.038 -3.490 -4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.072 -4.678 -3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.002 -3.459 -4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.051 -2.027 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.315 -2.215 -6.244 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.552 -3.356 -7.572 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.597 -2.451 -0.505 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.345 -2.731 0.713 1.00 0.00 C ATOM 1008 C LEU A 62 -4.789 -2.260 0.597 1.00 0.00 C ATOM 1009 O LEU A 62 -5.025 -1.156 0.110 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.675 -2.008 1.895 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.137 -2.073 1.945 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -0.636 -1.239 3.131 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.621 -3.507 2.093 1.00 0.00 C ATOM 0 H LEU A 62 -2.591 -1.461 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.346 -3.809 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.973 -0.960 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.067 -2.429 2.821 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.760 -1.678 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.452 -1.281 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.955 -0.204 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.049 -1.638 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.469 -3.500 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.007 -3.939 3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.957 -4.104 1.245 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.753 -3.047 1.082 1.00 0.00 N ATOM 1026 CA TYR A 63 -7.129 -2.602 1.196 1.00 0.00 C ATOM 1027 C TYR A 63 -7.316 -1.896 2.546 1.00 0.00 C ATOM 1028 O TYR A 63 -7.391 -2.527 3.603 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.066 -3.786 0.954 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.421 -3.969 -0.514 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -7.407 -4.182 -1.465 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.757 -3.856 -0.943 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -7.730 -4.323 -2.826 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -10.077 -3.966 -2.308 1.00 0.00 C ATOM 1035 CZ TYR A 63 -9.063 -4.202 -3.249 1.00 0.00 C ATOM 1036 OH TYR A 63 -9.371 -4.318 -4.572 1.00 0.00 O ATOM 0 H TYR A 63 -5.595 -4.002 1.402 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.383 -1.865 0.434 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.596 -4.697 1.325 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.981 -3.642 1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.376 -4.237 -1.148 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.541 -3.684 -0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.952 -4.525 -3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.103 -3.869 -2.632 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.337 -4.210 -4.694 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.342 -0.561 2.504 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.439 0.316 3.659 1.00 0.00 C ATOM 1048 C VAL A 64 -8.898 0.727 3.863 1.00 0.00 C ATOM 1049 O VAL A 64 -9.561 1.157 2.920 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.530 1.543 3.480 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.582 2.417 4.742 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -5.072 1.135 3.234 1.00 0.00 C ATOM 0 H VAL A 64 -7.294 -0.047 1.624 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.100 -0.214 4.549 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.893 2.095 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.936 3.285 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.606 2.749 4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.241 1.838 5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.460 2.029 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.707 0.558 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.012 0.528 2.331 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.386 0.600 5.099 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.710 1.013 5.522 1.00 0.00 C ATOM 1064 C TYR A 65 -10.590 2.379 6.200 1.00 0.00 C ATOM 1065 O TYR A 65 -9.804 2.545 7.137 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.296 -0.067 6.453 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.811 -0.104 6.561 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.582 -0.220 5.392 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -13.440 -0.223 7.815 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.976 -0.346 5.466 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -14.833 -0.402 7.892 1.00 0.00 C ATOM 1072 CZ TYR A 65 -15.606 -0.427 6.718 1.00 0.00 C ATOM 1073 OH TYR A 65 -16.961 -0.316 6.793 1.00 0.00 O ATOM 0 H TYR A 65 -8.841 0.189 5.857 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.393 1.116 4.679 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.953 -1.042 6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.884 0.080 7.451 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.096 -0.212 4.428 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.852 -0.177 8.720 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.565 -0.381 4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.309 -0.520 8.854 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.254 0.466 6.280 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.341 3.370 5.712 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.316 4.734 6.214 1.00 0.00 C ATOM 1085 C ALA A 66 -12.713 5.336 6.080 1.00 0.00 C ATOM 1086 O ALA A 66 -13.367 5.144 5.059 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.284 5.553 5.434 1.00 0.00 C ATOM 0 H ALA A 66 -11.995 3.237 4.941 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.028 4.744 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.268 6.575 5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.297 5.106 5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.550 5.562 4.377 1.00 0.00 H new ATOM 1093 N SER A 67 -13.197 6.019 7.121 1.00 0.00 N ATOM 1094 CA SER A 67 -14.568 6.515 7.211 1.00 0.00 C ATOM 1095 C SER A 67 -15.582 5.394 6.950 1.00 0.00 C ATOM 1096 O SER A 67 -16.646 5.644 6.387 1.00 0.00 O ATOM 1097 CB SER A 67 -14.768 7.694 6.245 1.00 0.00 C ATOM 1098 OG SER A 67 -16.037 8.281 6.444 1.00 0.00 O ATOM 0 H SER A 67 -12.633 6.246 7.940 1.00 0.00 H new ATOM 0 HA SER A 67 -14.742 6.873 8.226 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.987 8.438 6.402 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.677 7.349 5.215 1.00 0.00 H new ATOM 0 HG SER A 67 -16.720 7.579 6.480 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.237 4.164 7.342 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.011 2.959 7.089 1.00 0.00 C ATOM 1106 C ASP A 68 -16.227 2.673 5.593 1.00 0.00 C ATOM 1107 O ASP A 68 -17.146 1.929 5.244 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.328 2.968 7.882 1.00 0.00 C ATOM 1109 CG ASP A 68 -17.092 3.061 9.384 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -16.972 4.207 9.872 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -17.040 1.985 10.018 1.00 0.00 O ATOM 0 H ASP A 68 -14.379 3.980 7.862 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.412 2.124 7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.940 3.810 7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -17.891 2.062 7.659 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.361 3.197 4.718 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.344 2.933 3.284 1.00 0.00 C ATOM 1118 C LYS A 69 -14.021 2.245 2.953 1.00 0.00 C ATOM 1119 O LYS A 69 -13.002 2.560 3.566 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.459 4.247 2.501 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.635 5.104 2.977 1.00 0.00 C ATOM 1122 CD LYS A 69 -16.859 6.297 2.040 1.00 0.00 C ATOM 1123 CE LYS A 69 -17.739 7.365 2.704 1.00 0.00 C ATOM 1124 NZ LYS A 69 -19.014 6.808 3.191 1.00 0.00 N ATOM 0 H LYS A 69 -14.625 3.842 5.006 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.186 2.299 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.533 4.813 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.579 4.026 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.539 4.496 3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.443 5.462 3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.898 6.733 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.330 5.956 1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -17.198 7.813 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -17.942 8.163 1.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.664 7.584 3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.439 6.215 2.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.840 6.231 4.038 1.00 0.00 H new ATOM 1138 N LEU A 70 -14.032 1.296 2.012 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.882 0.460 1.701 1.00 0.00 C ATOM 1140 C LEU A 70 -12.226 0.939 0.405 1.00 0.00 C ATOM 1141 O LEU A 70 -12.920 1.141 -0.590 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.370 -0.994 1.627 1.00 0.00 C ATOM 1143 CG LEU A 70 -12.247 -2.034 1.520 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.365 -2.050 2.772 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.882 -3.421 1.358 1.00 0.00 C ATOM 0 H LEU A 70 -14.852 1.089 1.442 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.114 0.527 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.966 -1.210 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.030 -1.100 0.766 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.623 -1.775 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.582 -2.800 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.910 -1.069 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.974 -2.293 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.097 -4.174 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.508 -3.638 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.492 -3.439 0.455 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.906 1.155 0.426 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.125 1.697 -0.680 1.00 0.00 C ATOM 1159 C PHE A 71 -8.849 0.878 -0.866 1.00 0.00 C ATOM 1160 O PHE A 71 -8.289 0.382 0.106 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.746 3.148 -0.372 1.00 0.00 C ATOM 1162 CG PHE A 71 -10.841 4.156 -0.661 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.844 4.421 0.289 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -10.769 4.928 -1.834 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.775 5.448 0.057 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.698 5.951 -2.062 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.703 6.214 -1.118 1.00 0.00 C ATOM 0 H PHE A 71 -10.336 0.948 1.246 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.721 1.653 -1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.468 3.223 0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -8.863 3.412 -0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.899 3.836 1.195 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -9.995 4.732 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -13.548 5.649 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.641 6.539 -2.966 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.419 7.003 -1.295 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.376 0.768 -2.107 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.135 0.099 -2.464 1.00 0.00 C ATOM 1179 C ARG A 72 -6.016 1.140 -2.522 1.00 0.00 C ATOM 1180 O ARG A 72 -5.999 1.984 -3.420 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.323 -0.606 -3.809 1.00 0.00 C ATOM 1182 CG ARG A 72 -6.129 -1.497 -4.166 1.00 0.00 C ATOM 1183 CD ARG A 72 -6.420 -2.207 -5.491 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.561 -3.382 -5.670 1.00 0.00 N ATOM 1185 CZ ARG A 72 -5.723 -4.295 -6.639 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -6.700 -4.157 -7.541 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -4.898 -5.342 -6.714 1.00 0.00 N ATOM 0 H ARG A 72 -8.865 1.156 -2.914 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.865 -0.652 -1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.229 -1.211 -3.777 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.465 0.139 -4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.223 -0.897 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.955 -2.228 -3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.466 -2.512 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.267 -1.514 -6.318 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.790 -3.513 -5.015 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.327 -3.354 -7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.818 -4.855 -8.276 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.145 -5.447 -6.034 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.021 -6.036 -7.451 1.00 0.00 H new ATOM 1201 N ALA A 73 -5.086 1.077 -1.570 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.955 1.978 -1.455 1.00 0.00 C ATOM 1203 C ALA A 73 -2.727 1.260 -2.000 1.00 0.00 C ATOM 1204 O ALA A 73 -2.384 0.190 -1.499 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.759 2.349 0.015 1.00 0.00 C ATOM 0 H ALA A 73 -5.106 0.370 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.122 2.895 -2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.910 3.026 0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.658 2.839 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.569 1.446 0.596 1.00 0.00 H new ATOM 1211 N ASP A 74 -2.074 1.831 -3.014 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.818 1.314 -3.542 1.00 0.00 C ATOM 1213 C ASP A 74 0.294 2.272 -3.135 1.00 0.00 C ATOM 1214 O ASP A 74 0.224 3.464 -3.431 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.925 1.129 -5.054 1.00 0.00 C ATOM 1216 CG ASP A 74 0.281 0.385 -5.615 1.00 0.00 C ATOM 1217 OD1 ASP A 74 0.367 -0.834 -5.352 1.00 0.00 O ATOM 1218 OD2 ASP A 74 1.081 1.035 -6.318 1.00 0.00 O ATOM 0 H ASP A 74 -2.406 2.669 -3.492 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.588 0.331 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.835 0.578 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.008 2.103 -5.535 1.00 0.00 H new ATOM 1223 N ILE A 75 1.283 1.747 -2.414 1.00 0.00 N ATOM 1224 CA ILE A 75 2.399 2.468 -1.825 1.00 0.00 C ATOM 1225 C ILE A 75 3.683 1.864 -2.381 1.00 0.00 C ATOM 1226 O ILE A 75 3.701 0.695 -2.766 1.00 0.00 O ATOM 1227 CB ILE A 75 2.353 2.402 -0.283 1.00 0.00 C ATOM 1228 CG1 ILE A 75 0.997 2.878 0.266 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.461 3.249 0.362 1.00 0.00 C ATOM 1230 CD1 ILE A 75 0.049 1.702 0.510 1.00 0.00 C ATOM 0 H ILE A 75 1.325 0.747 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 75 2.348 3.526 -2.083 1.00 0.00 H new ATOM 0 HB ILE A 75 2.504 1.354 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.151 3.422 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.542 3.574 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.391 3.174 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.435 2.885 0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.344 4.290 0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.900 2.074 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.124 1.174 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.494 1.020 1.234 1.00 0.00 H new ATOM 1242 N SER A 76 4.751 2.656 -2.426 1.00 0.00 N ATOM 1243 CA SER A 76 6.086 2.203 -2.771 1.00 0.00 C ATOM 1244 C SER A 76 7.020 2.571 -1.629 1.00 0.00 C ATOM 1245 O SER A 76 6.805 3.610 -1.006 1.00 0.00 O ATOM 1246 CB SER A 76 6.541 2.855 -4.080 1.00 0.00 C ATOM 1247 OG SER A 76 6.290 4.249 -4.097 1.00 0.00 O ATOM 0 H SER A 76 4.706 3.654 -2.218 1.00 0.00 H new ATOM 0 HA SER A 76 6.095 1.123 -2.919 1.00 0.00 H new ATOM 0 HB2 SER A 76 7.607 2.677 -4.221 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.026 2.384 -4.917 1.00 0.00 H new ATOM 0 HG SER A 76 6.201 4.577 -3.178 1.00 0.00 H new ATOM 1253 N GLU A 77 8.030 1.734 -1.374 1.00 0.00 N ATOM 1254 CA GLU A 77 9.162 2.013 -0.503 1.00 0.00 C ATOM 1255 C GLU A 77 10.409 1.901 -1.369 1.00 0.00 C ATOM 1256 O GLU A 77 10.570 0.884 -2.043 1.00 0.00 O ATOM 1257 CB GLU A 77 9.193 1.020 0.669 1.00 0.00 C ATOM 1258 CG GLU A 77 10.251 1.366 1.736 1.00 0.00 C ATOM 1259 CD GLU A 77 11.508 0.499 1.650 1.00 0.00 C ATOM 1260 OE1 GLU A 77 12.107 0.457 0.555 1.00 0.00 O ATOM 1261 OE2 GLU A 77 11.856 -0.107 2.687 1.00 0.00 O ATOM 0 H GLU A 77 8.077 0.804 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 77 9.095 3.007 -0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.210 0.992 1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.390 0.020 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.533 2.413 1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.808 1.253 2.726 1.00 0.00 H new ATOM 1268 N ASP A 78 11.255 2.935 -1.375 1.00 0.00 N ATOM 1269 CA ASP A 78 12.523 2.929 -2.086 1.00 0.00 C ATOM 1270 C ASP A 78 13.633 2.562 -1.107 1.00 0.00 C ATOM 1271 O ASP A 78 13.872 3.277 -0.130 1.00 0.00 O ATOM 1272 CB ASP A 78 12.796 4.290 -2.726 1.00 0.00 C ATOM 1273 CG ASP A 78 13.921 4.168 -3.750 1.00 0.00 C ATOM 1274 OD1 ASP A 78 15.043 3.822 -3.322 1.00 0.00 O ATOM 1275 OD2 ASP A 78 13.631 4.396 -4.944 1.00 0.00 O ATOM 0 H ASP A 78 11.070 3.807 -0.879 1.00 0.00 H new ATOM 0 HA ASP A 78 12.484 2.192 -2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.892 4.662 -3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.069 5.014 -1.958 1.00 0.00 H new ATOM 1280 N TYR A 79 14.326 1.461 -1.382 1.00 0.00 N ATOM 1281 CA TYR A 79 15.329 0.912 -0.490 1.00 0.00 C ATOM 1282 C TYR A 79 16.501 1.879 -0.320 1.00 0.00 C ATOM 1283 O TYR A 79 17.132 1.903 0.732 1.00 0.00 O ATOM 1284 CB TYR A 79 15.782 -0.450 -1.027 1.00 0.00 C ATOM 1285 CG TYR A 79 16.683 -1.220 -0.084 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.190 -1.652 1.161 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.017 -1.496 -0.442 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.017 -2.379 2.033 1.00 0.00 C ATOM 1289 CE2 TYR A 79 18.848 -2.211 0.439 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.348 -2.650 1.676 1.00 0.00 C ATOM 1291 OH TYR A 79 19.147 -3.345 2.534 1.00 0.00 O ATOM 0 H TYR A 79 14.202 0.923 -2.240 1.00 0.00 H new ATOM 0 HA TYR A 79 14.899 0.770 0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.901 -1.054 -1.244 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.306 -0.300 -1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.174 -1.424 1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.402 -1.159 -1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 79 16.629 -2.730 2.978 1.00 0.00 H new ATOM 0 HE2 TYR A 79 19.871 -2.423 0.164 1.00 0.00 H new ATOM 0 HH TYR A 79 20.038 -3.450 2.139 1.00 0.00 H new ATOM 1301 N LYS A 80 16.775 2.702 -1.339 1.00 0.00 N ATOM 1302 CA LYS A 80 17.935 3.582 -1.372 1.00 0.00 C ATOM 1303 C LYS A 80 17.905 4.639 -0.265 1.00 0.00 C ATOM 1304 O LYS A 80 18.935 5.238 0.042 1.00 0.00 O ATOM 1305 CB LYS A 80 18.059 4.197 -2.774 1.00 0.00 C ATOM 1306 CG LYS A 80 19.420 4.862 -3.025 1.00 0.00 C ATOM 1307 CD LYS A 80 19.591 5.266 -4.497 1.00 0.00 C ATOM 1308 CE LYS A 80 19.906 4.060 -5.395 1.00 0.00 C ATOM 1309 NZ LYS A 80 20.092 4.468 -6.798 1.00 0.00 N ATOM 0 H LYS A 80 16.187 2.772 -2.170 1.00 0.00 H new ATOM 0 HA LYS A 80 18.828 2.991 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.899 3.419 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 80 17.270 4.937 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.517 5.744 -2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 80 20.218 4.176 -2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 80 18.680 5.750 -4.848 1.00 0.00 H new ATOM 0 HD3 LYS A 80 20.394 5.999 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 80 20.808 3.563 -5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.095 3.335 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.303 3.631 -7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 19.223 4.920 -7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 20.882 5.142 -6.862 1.00 0.00 H new ATOM 1323 N THR A 81 16.743 4.901 0.340 1.00 0.00 N ATOM 1324 CA THR A 81 16.676 5.751 1.528 1.00 0.00 C ATOM 1325 C THR A 81 15.613 5.259 2.519 1.00 0.00 C ATOM 1326 O THR A 81 15.321 5.945 3.493 1.00 0.00 O ATOM 1327 CB THR A 81 16.488 7.224 1.103 1.00 0.00 C ATOM 1328 OG1 THR A 81 17.280 7.495 -0.038 1.00 0.00 O ATOM 1329 CG2 THR A 81 16.916 8.225 2.182 1.00 0.00 C ATOM 0 H THR A 81 15.842 4.539 0.028 1.00 0.00 H new ATOM 0 HA THR A 81 17.619 5.688 2.070 1.00 0.00 H new ATOM 0 HB THR A 81 15.422 7.345 0.911 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.158 8.430 -0.307 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.758 9.241 1.819 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.323 8.065 3.083 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.972 8.082 2.413 1.00 0.00 H new ATOM 1337 N ARG A 82 15.028 4.074 2.288 1.00 0.00 N ATOM 1338 CA ARG A 82 13.924 3.552 3.090 1.00 0.00 C ATOM 1339 C ARG A 82 12.812 4.606 3.210 1.00 0.00 C ATOM 1340 O ARG A 82 12.220 4.794 4.270 1.00 0.00 O ATOM 1341 CB ARG A 82 14.452 3.069 4.452 1.00 0.00 C ATOM 1342 CG ARG A 82 13.488 2.092 5.140 1.00 0.00 C ATOM 1343 CD ARG A 82 14.049 1.679 6.506 1.00 0.00 C ATOM 1344 NE ARG A 82 13.188 0.696 7.181 1.00 0.00 N ATOM 1345 CZ ARG A 82 13.128 -0.609 6.876 1.00 0.00 C ATOM 1346 NH1 ARG A 82 13.837 -1.100 5.853 1.00 0.00 N ATOM 1347 NH2 ARG A 82 12.358 -1.423 7.605 1.00 0.00 N ATOM 0 H ARG A 82 15.314 3.451 1.533 1.00 0.00 H new ATOM 0 HA ARG A 82 13.479 2.687 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.418 2.584 4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.617 3.929 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.511 2.559 5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.343 1.211 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.046 1.259 6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.155 2.562 7.136 1.00 0.00 H new ATOM 0 HE ARG A 82 12.592 1.032 7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.428 -0.481 5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.786 -2.093 5.627 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.820 -1.051 8.388 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.308 -2.416 7.378 1.00 0.00 H new ATOM 1361 N GLY A 83 12.543 5.307 2.107 1.00 0.00 N ATOM 1362 CA GLY A 83 11.548 6.365 2.041 1.00 0.00 C ATOM 1363 C GLY A 83 10.396 5.863 1.190 1.00 0.00 C ATOM 1364 O GLY A 83 10.640 5.208 0.177 1.00 0.00 O ATOM 0 H GLY A 83 13.023 5.148 1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.200 6.625 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.978 7.268 1.608 1.00 0.00 H new ATOM 1368 N ARG A 84 9.158 6.131 1.609 1.00 0.00 N ATOM 1369 CA ARG A 84 7.979 5.665 0.907 1.00 0.00 C ATOM 1370 C ARG A 84 7.247 6.813 0.238 1.00 0.00 C ATOM 1371 O ARG A 84 7.427 7.975 0.599 1.00 0.00 O ATOM 1372 CB ARG A 84 7.002 4.963 1.856 1.00 0.00 C ATOM 1373 CG ARG A 84 7.581 3.803 2.670 1.00 0.00 C ATOM 1374 CD ARG A 84 8.273 4.202 3.978 1.00 0.00 C ATOM 1375 NE ARG A 84 8.716 3.003 4.704 1.00 0.00 N ATOM 1376 CZ ARG A 84 9.549 3.008 5.753 1.00 0.00 C ATOM 1377 NH1 ARG A 84 9.972 4.164 6.276 1.00 0.00 N ATOM 1378 NH2 ARG A 84 9.965 1.848 6.270 1.00 0.00 N ATOM 0 H ARG A 84 8.953 6.678 2.445 1.00 0.00 H new ATOM 0 HA ARG A 84 8.328 4.959 0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.602 5.704 2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.163 4.588 1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.776 3.106 2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.298 3.266 2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.128 4.843 3.765 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.588 4.780 4.599 1.00 0.00 H new ATOM 0 HE ARG A 84 8.363 2.101 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.660 5.049 5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.606 4.161 7.075 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.648 0.967 5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.599 1.844 7.069 1.00 0.00 H new ATOM 1392 N LYS A 85 6.363 6.449 -0.688 1.00 0.00 N ATOM 1393 CA LYS A 85 5.382 7.336 -1.282 1.00 0.00 C ATOM 1394 C LYS A 85 4.205 6.546 -1.852 1.00 0.00 C ATOM 1395 O LYS A 85 4.362 5.399 -2.276 1.00 0.00 O ATOM 1396 CB LYS A 85 6.043 8.292 -2.285 1.00 0.00 C ATOM 1397 CG LYS A 85 6.580 7.657 -3.575 1.00 0.00 C ATOM 1398 CD LYS A 85 5.475 7.465 -4.625 1.00 0.00 C ATOM 1399 CE LYS A 85 6.053 7.373 -6.041 1.00 0.00 C ATOM 1400 NZ LYS A 85 6.897 6.176 -6.199 1.00 0.00 N ATOM 0 H LYS A 85 6.313 5.498 -1.053 1.00 0.00 H new ATOM 0 HA LYS A 85 4.958 7.973 -0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.317 9.058 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.868 8.798 -1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.368 8.287 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.032 6.692 -3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.913 6.558 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.773 8.297 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.240 7.346 -6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.641 8.266 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.728 5.753 -7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.898 6.444 -6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.661 5.485 -5.459 1.00 0.00 H new ATOM 1414 N LEU A 86 3.022 7.165 -1.823 1.00 0.00 N ATOM 1415 CA LEU A 86 1.788 6.621 -2.371 1.00 0.00 C ATOM 1416 C LEU A 86 1.813 6.749 -3.894 1.00 0.00 C ATOM 1417 O LEU A 86 2.170 7.805 -4.410 1.00 0.00 O ATOM 1418 CB LEU A 86 0.598 7.396 -1.781 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.765 6.851 -2.251 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.539 6.244 -1.080 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.597 7.964 -2.896 1.00 0.00 C ATOM 0 H LEU A 86 2.898 8.086 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 86 1.689 5.567 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.646 7.352 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.680 8.446 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.577 6.073 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.498 5.866 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.963 5.425 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.709 7.008 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.556 7.560 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.766 8.759 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.062 8.366 -3.756 1.00 0.00 H new ATOM 1433 N LEU A 87 1.424 5.691 -4.610 1.00 0.00 N ATOM 1434 CA LEU A 87 1.152 5.771 -6.036 1.00 0.00 C ATOM 1435 C LEU A 87 -0.255 6.344 -6.199 1.00 0.00 C ATOM 1436 O LEU A 87 -0.421 7.446 -6.714 1.00 0.00 O ATOM 1437 CB LEU A 87 1.242 4.391 -6.713 1.00 0.00 C ATOM 1438 CG LEU A 87 2.638 3.763 -6.835 1.00 0.00 C ATOM 1439 CD1 LEU A 87 3.638 4.678 -7.548 1.00 0.00 C ATOM 1440 CD2 LEU A 87 3.197 3.307 -5.487 1.00 0.00 C ATOM 0 H LEU A 87 1.291 4.761 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 87 1.897 6.407 -6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.607 3.700 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.821 4.477 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 87 2.501 2.877 -7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.607 4.183 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.280 4.893 -8.555 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.739 5.610 -6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.185 2.871 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.273 4.163 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.532 2.562 -5.051 1.00 0.00 H new ATOM 1452 N ARG A 88 -1.271 5.580 -5.779 1.00 0.00 N ATOM 1453 CA ARG A 88 -2.674 5.947 -5.895 1.00 0.00 C ATOM 1454 C ARG A 88 -3.459 5.306 -4.748 1.00 0.00 C ATOM 1455 O ARG A 88 -3.002 4.344 -4.126 1.00 0.00 O ATOM 1456 CB ARG A 88 -3.264 5.514 -7.251 1.00 0.00 C ATOM 1457 CG ARG A 88 -2.893 6.418 -8.441 1.00 0.00 C ATOM 1458 CD ARG A 88 -1.730 5.890 -9.293 1.00 0.00 C ATOM 1459 NE ARG A 88 -2.064 4.636 -9.982 1.00 0.00 N ATOM 1460 CZ ARG A 88 -2.723 4.547 -11.147 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -3.224 5.642 -11.730 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -2.874 3.353 -11.728 1.00 0.00 N ATOM 0 H ARG A 88 -1.129 4.670 -5.340 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.752 7.033 -5.837 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.931 4.499 -7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.350 5.481 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.769 6.540 -9.078 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.633 7.407 -8.064 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.452 6.643 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.860 5.731 -8.656 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.772 3.765 -9.540 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.106 6.554 -11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.724 5.565 -12.616 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.490 2.518 -11.286 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.374 3.276 -12.614 1.00 0.00 H new ATOM 1476 N PHE A 89 -4.643 5.871 -4.487 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.612 5.438 -3.493 1.00 0.00 C ATOM 1478 C PHE A 89 -6.939 5.252 -4.227 1.00 0.00 C ATOM 1479 O PHE A 89 -7.747 6.176 -4.296 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.700 6.504 -2.393 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.555 6.119 -1.203 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -5.982 5.420 -0.126 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -7.887 6.567 -1.114 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -6.732 5.177 1.039 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -8.618 6.367 0.068 1.00 0.00 C ATOM 1486 CZ PHE A 89 -8.045 5.670 1.144 1.00 0.00 C ATOM 0 H PHE A 89 -4.963 6.693 -5.000 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.333 4.501 -3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.693 6.728 -2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.097 7.422 -2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.963 5.069 -0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.347 7.065 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.300 4.612 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.624 6.750 0.150 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.611 5.513 2.050 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.136 4.089 -4.848 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.276 3.864 -5.724 1.00 0.00 C ATOM 1498 C ASN A 90 -9.457 3.400 -4.888 1.00 0.00 C ATOM 1499 O ASN A 90 -9.280 2.653 -3.927 1.00 0.00 O ATOM 1500 CB ASN A 90 -7.971 2.788 -6.770 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.790 3.117 -7.679 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -6.391 4.267 -7.815 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -6.220 2.103 -8.324 1.00 0.00 N ATOM 0 H ASN A 90 -6.514 3.286 -4.757 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.501 4.799 -6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.770 1.846 -6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.857 2.634 -7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.432 2.274 -8.949 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.571 1.154 -8.194 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.665 3.794 -5.281 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.891 3.310 -4.673 1.00 0.00 C ATOM 1512 C GLY A 91 -12.970 4.390 -4.618 1.00 0.00 C ATOM 1513 O GLY A 91 -12.843 5.413 -5.297 1.00 0.00 O ATOM 0 H GLY A 91 -10.817 4.463 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.263 2.455 -5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.680 2.957 -3.664 1.00 0.00 H new ATOM 1517 N PRO A 92 -14.029 4.182 -3.819 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.211 3.030 -2.944 1.00 0.00 C ATOM 1519 C PRO A 92 -14.348 1.733 -3.751 1.00 0.00 C ATOM 1520 O PRO A 92 -14.846 1.754 -4.874 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.475 3.327 -2.133 1.00 0.00 C ATOM 1522 CG PRO A 92 -16.265 4.273 -3.039 1.00 0.00 C ATOM 1523 CD PRO A 92 -15.168 5.077 -3.737 1.00 0.00 C ATOM 0 HA PRO A 92 -13.349 2.879 -2.294 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -16.036 2.418 -1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.238 3.792 -1.176 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.881 3.727 -3.753 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.934 4.915 -2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.487 5.399 -4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.921 5.977 -3.174 1.00 0.00 H new ATOM 1531 N VAL A 93 -13.888 0.616 -3.184 1.00 0.00 N ATOM 1532 CA VAL A 93 -13.995 -0.721 -3.760 1.00 0.00 C ATOM 1533 C VAL A 93 -14.448 -1.682 -2.655 1.00 0.00 C ATOM 1534 O VAL A 93 -13.838 -1.694 -1.589 1.00 0.00 O ATOM 1535 CB VAL A 93 -12.661 -1.191 -4.372 1.00 0.00 C ATOM 1536 CG1 VAL A 93 -12.528 -0.725 -5.826 1.00 0.00 C ATOM 1537 CG2 VAL A 93 -11.428 -0.745 -3.572 1.00 0.00 C ATOM 0 H VAL A 93 -13.415 0.620 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.722 -0.703 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.690 -2.280 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -11.578 -1.070 -6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -13.347 -1.136 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -12.565 0.364 -5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.525 -1.111 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.399 0.344 -3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.484 -1.150 -2.562 1.00 0.00 H new ATOM 1547 N PRO A 94 -15.510 -2.477 -2.867 1.00 0.00 N ATOM 1548 CA PRO A 94 -15.993 -3.415 -1.867 1.00 0.00 C ATOM 1549 C PRO A 94 -15.039 -4.613 -1.775 1.00 0.00 C ATOM 1550 O PRO A 94 -14.239 -4.835 -2.685 1.00 0.00 O ATOM 1551 CB PRO A 94 -17.378 -3.835 -2.370 1.00 0.00 C ATOM 1552 CG PRO A 94 -17.229 -3.765 -3.890 1.00 0.00 C ATOM 1553 CD PRO A 94 -16.286 -2.580 -4.092 1.00 0.00 C ATOM 0 HA PRO A 94 -16.045 -2.986 -0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -17.641 -4.839 -2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.158 -3.165 -2.010 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -16.812 -4.686 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -18.188 -3.605 -4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -15.637 -2.739 -4.953 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -16.845 -1.663 -4.279 1.00 0.00 H new ATOM 1561 N PRO A 95 -15.113 -5.409 -0.697 1.00 0.00 N ATOM 1562 CA PRO A 95 -14.361 -6.648 -0.603 1.00 0.00 C ATOM 1563 C PRO A 95 -14.938 -7.670 -1.594 1.00 0.00 C ATOM 1564 O PRO A 95 -16.117 -7.590 -1.939 1.00 0.00 O ATOM 1565 CB PRO A 95 -14.532 -7.106 0.847 1.00 0.00 C ATOM 1566 CG PRO A 95 -15.913 -6.564 1.219 1.00 0.00 C ATOM 1567 CD PRO A 95 -15.988 -5.242 0.454 1.00 0.00 C ATOM 0 HA PRO A 95 -13.306 -6.531 -0.852 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.487 -8.192 0.935 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.752 -6.701 1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -16.708 -7.248 0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.010 -6.413 2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -17.010 -5.026 0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.662 -4.409 1.077 1.00 0.00 H new ATOM 1575 N PRO A 96 -14.135 -8.643 -2.054 1.00 0.00 N ATOM 1576 CA PRO A 96 -14.611 -9.695 -2.938 1.00 0.00 C ATOM 1577 C PRO A 96 -15.600 -10.612 -2.210 1.00 0.00 C ATOM 1578 O PRO A 96 -16.514 -11.116 -2.897 1.00 0.00 O ATOM 1579 CB PRO A 96 -13.352 -10.447 -3.381 1.00 0.00 C ATOM 1580 CG PRO A 96 -12.394 -10.249 -2.206 1.00 0.00 C ATOM 1581 CD PRO A 96 -12.735 -8.839 -1.718 1.00 0.00 C ATOM 1582 OXT PRO A 96 -15.411 -10.815 -0.990 1.00 0.00 O ATOM 0 HA PRO A 96 -15.155 -9.300 -3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -13.556 -11.503 -3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -12.944 -10.039 -4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -12.551 -10.995 -1.427 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.352 -10.328 -2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.572 -8.744 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.106 -8.092 -2.203 1.00 0.00 H new TER 1590 PRO A 96