USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 802 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 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= -0.0497 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00511) USER MOD Single : A 1 MET N :NH3+ 160:sc= 1.09 (180deg=0.717) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 18 LYS NZ :NH3+ 168:sc=-0.00768 (180deg=-0.159) USER MOD Single : A 25 ASN : amide:sc= 0.973 K(o=0.97,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0227) USER MOD Single : A 29 GLN : amide:sc= -1.25 X(o=-1.3,f=-0.83) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.85! C(o=-2.9!,f=-5.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.331 USER MOD Single : A 43 MET CE :methyl -174:sc= 0 (180deg=-0.0163) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 0.832 (180deg=0.81) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.301 K(o=-0.3,f=-3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 158:sc= 1.18 USER MOD Single : A 62 GLN :FLIP amide:sc= 0.64 F(o=-0.82,f=0.64) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -136:sc= 0.114 USER MOD Single : A 68 SER OG : rot -42:sc= 0.895 USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= -0.0163 (180deg=-0.246) USER MOD Single : A 77 SER OG : rot 180:sc= -0.245 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.310 -6.214 -17.538 1.00 0.00 N ATOM 2 CA MET A 1 -11.363 -7.346 -16.597 1.00 0.00 C ATOM 3 C MET A 1 -9.948 -7.853 -16.298 1.00 0.00 C ATOM 4 O MET A 1 -9.422 -7.630 -15.213 1.00 0.00 O ATOM 5 CB MET A 1 -12.292 -8.462 -17.107 1.00 0.00 C ATOM 6 CG MET A 1 -13.780 -8.064 -17.064 1.00 0.00 C ATOM 7 SD MET A 1 -14.367 -6.815 -18.243 1.00 0.00 S ATOM 8 CE MET A 1 -14.285 -7.737 -19.794 1.00 0.00 C ATOM 0 H1 MET A 1 -12.238 -6.096 -17.992 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.064 -5.345 -17.022 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.590 -6.400 -18.265 1.00 0.00 H new ATOM 0 HA MET A 1 -11.794 -6.998 -15.658 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.018 -8.717 -18.131 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.142 -9.358 -16.504 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.371 -8.968 -17.214 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.999 -7.703 -16.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.650 -7.112 -20.609 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.253 -8.025 -19.992 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.903 -8.632 -19.719 1.00 0.00 H new ATOM 20 N GLY A 2 -9.304 -8.508 -17.262 1.00 0.00 N ATOM 21 CA GLY A 2 -8.021 -9.159 -17.029 1.00 0.00 C ATOM 22 C GLY A 2 -6.839 -8.236 -17.312 1.00 0.00 C ATOM 23 O GLY A 2 -6.056 -8.517 -18.214 1.00 0.00 O ATOM 0 H GLY A 2 -9.654 -8.601 -18.216 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.972 -9.500 -15.995 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.946 -10.044 -17.660 1.00 0.00 H new ATOM 27 N GLU A 3 -6.681 -7.164 -16.529 1.00 0.00 N ATOM 28 CA GLU A 3 -5.497 -6.309 -16.568 1.00 0.00 C ATOM 29 C GLU A 3 -5.181 -5.774 -15.170 1.00 0.00 C ATOM 30 O GLU A 3 -5.998 -5.870 -14.255 1.00 0.00 O ATOM 31 CB GLU A 3 -5.677 -5.147 -17.564 1.00 0.00 C ATOM 32 CG GLU A 3 -5.375 -5.524 -19.027 1.00 0.00 C ATOM 33 CD GLU A 3 -6.614 -5.811 -19.872 1.00 0.00 C ATOM 34 OE1 GLU A 3 -7.592 -5.046 -19.726 1.00 0.00 O ATOM 35 OE2 GLU A 3 -6.548 -6.764 -20.679 1.00 0.00 O ATOM 0 H GLU A 3 -7.378 -6.866 -15.847 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.657 -6.913 -16.911 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.701 -4.781 -17.498 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.025 -4.325 -17.269 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.814 -4.712 -19.490 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.731 -6.403 -19.038 1.00 0.00 H new ATOM 42 N TRP A 4 -3.977 -5.212 -15.034 1.00 0.00 N ATOM 43 CA TRP A 4 -3.501 -4.493 -13.861 1.00 0.00 C ATOM 44 C TRP A 4 -3.691 -2.991 -14.080 1.00 0.00 C ATOM 45 O TRP A 4 -4.011 -2.571 -15.191 1.00 0.00 O ATOM 46 CB TRP A 4 -2.020 -4.821 -13.655 1.00 0.00 C ATOM 47 CG TRP A 4 -1.720 -6.203 -13.166 1.00 0.00 C ATOM 48 CD1 TRP A 4 -1.980 -7.370 -13.798 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.089 -6.566 -11.910 1.00 0.00 C ATOM 50 NE1 TRP A 4 -1.568 -8.425 -13.007 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.010 -7.985 -11.824 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.568 -5.824 -10.836 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.447 -8.637 -10.715 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.006 -6.463 -9.721 1.00 0.00 C ATOM 55 CH2 TRP A 4 0.057 -7.866 -9.655 1.00 0.00 C ATOM 0 H TRP A 4 -3.279 -5.251 -15.777 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.062 -4.791 -12.975 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.499 -4.670 -14.600 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.605 -4.107 -12.944 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -2.439 -7.463 -14.771 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.664 -9.407 -13.265 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.601 -4.745 -10.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.402 -9.715 -10.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.382 -5.871 -8.905 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.491 -8.349 -8.792 1.00 0.00 H new ATOM 66 N GLU A 5 -3.477 -2.183 -13.035 1.00 0.00 N ATOM 67 CA GLU A 5 -3.576 -0.732 -13.103 1.00 0.00 C ATOM 68 C GLU A 5 -2.499 -0.051 -12.266 1.00 0.00 C ATOM 69 O GLU A 5 -1.849 -0.670 -11.426 1.00 0.00 O ATOM 70 CB GLU A 5 -4.962 -0.272 -12.629 1.00 0.00 C ATOM 71 CG GLU A 5 -5.944 -0.068 -13.790 1.00 0.00 C ATOM 72 CD GLU A 5 -5.644 1.197 -14.596 1.00 0.00 C ATOM 73 OE1 GLU A 5 -4.572 1.798 -14.355 1.00 0.00 O ATOM 74 OE2 GLU A 5 -6.504 1.548 -15.431 1.00 0.00 O ATOM 0 H GLU A 5 -3.227 -2.530 -12.109 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.428 -0.444 -14.144 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.370 -1.010 -11.939 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.861 0.661 -12.075 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.905 -0.934 -14.451 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.959 -0.012 -13.397 1.00 0.00 H new ATOM 81 N ILE A 6 -2.351 1.251 -12.503 1.00 0.00 N ATOM 82 CA ILE A 6 -1.350 2.094 -11.870 1.00 0.00 C ATOM 83 C ILE A 6 -1.773 2.482 -10.454 1.00 0.00 C ATOM 84 O ILE A 6 -2.936 2.791 -10.198 1.00 0.00 O ATOM 85 CB ILE A 6 -1.038 3.343 -12.725 1.00 0.00 C ATOM 86 CG1 ILE A 6 -2.281 4.215 -12.994 1.00 0.00 C ATOM 87 CG2 ILE A 6 -0.359 2.923 -14.034 1.00 0.00 C ATOM 88 CD1 ILE A 6 -1.961 5.516 -13.735 1.00 0.00 C ATOM 0 H ILE A 6 -2.943 1.759 -13.160 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.431 1.513 -11.795 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.354 3.968 -12.150 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.000 3.640 -13.578 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.760 4.454 -12.045 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.142 3.808 -14.632 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.570 2.400 -13.810 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.022 2.262 -14.592 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.880 6.081 -13.892 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.266 6.111 -13.142 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.509 5.284 -14.699 1.00 0.00 H new ATOM 100 N ILE A 7 -0.812 2.521 -9.532 1.00 0.00 N ATOM 101 CA ILE A 7 -1.037 2.893 -8.141 1.00 0.00 C ATOM 102 C ILE A 7 -1.010 4.419 -7.973 1.00 0.00 C ATOM 103 O ILE A 7 -0.411 4.937 -7.031 1.00 0.00 O ATOM 104 CB ILE A 7 0.005 2.161 -7.276 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.369 2.152 -5.782 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.428 2.696 -7.496 1.00 0.00 C ATOM 107 CD1 ILE A 7 -0.627 0.722 -5.300 1.00 0.00 C ATOM 0 H ILE A 7 0.160 2.291 -9.737 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.029 2.586 -7.810 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.003 1.124 -7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.435 2.599 -5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.258 2.762 -5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.125 2.147 -6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.708 2.566 -8.541 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.462 3.755 -7.240 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.890 0.736 -4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.447 0.288 -5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.272 0.122 -5.442 1.00 0.00 H new ATOM 119 N ASP A 8 -1.661 5.160 -8.875 1.00 0.00 N ATOM 120 CA ASP A 8 -1.663 6.621 -8.836 1.00 0.00 C ATOM 121 C ASP A 8 -2.592 7.086 -7.711 1.00 0.00 C ATOM 122 O ASP A 8 -3.707 7.539 -7.959 1.00 0.00 O ATOM 123 CB ASP A 8 -2.063 7.180 -10.209 1.00 0.00 C ATOM 124 CG ASP A 8 -1.791 8.679 -10.341 1.00 0.00 C ATOM 125 OD1 ASP A 8 -1.725 9.366 -9.298 1.00 0.00 O ATOM 126 OD2 ASP A 8 -1.631 9.114 -11.501 1.00 0.00 O ATOM 0 H ASP A 8 -2.198 4.765 -9.647 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.665 7.004 -8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.516 6.646 -10.987 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.123 6.992 -10.378 1.00 0.00 H new ATOM 131 N ILE A 9 -2.140 6.900 -6.470 1.00 0.00 N ATOM 132 CA ILE A 9 -2.919 7.034 -5.257 1.00 0.00 C ATOM 133 C ILE A 9 -2.055 7.742 -4.206 1.00 0.00 C ATOM 134 O ILE A 9 -0.848 7.898 -4.389 1.00 0.00 O ATOM 135 CB ILE A 9 -3.356 5.627 -4.793 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.057 4.779 -5.872 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.301 5.701 -3.596 1.00 0.00 C ATOM 138 CD1 ILE A 9 -5.446 5.308 -6.241 1.00 0.00 C ATOM 0 H ILE A 9 -1.172 6.639 -6.284 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.818 7.629 -5.419 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.415 5.140 -4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.435 4.753 -6.767 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.148 3.752 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.588 4.693 -3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.798 6.197 -2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.192 6.266 -3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.888 4.668 -7.005 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.082 5.308 -5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.358 6.324 -6.625 1.00 0.00 H new ATOM 150 N GLY A 10 -2.679 8.153 -3.102 1.00 0.00 N ATOM 151 CA GLY A 10 -2.060 8.866 -1.996 1.00 0.00 C ATOM 152 C GLY A 10 -2.560 8.270 -0.683 1.00 0.00 C ATOM 153 O GLY A 10 -1.875 7.429 -0.102 1.00 0.00 O ATOM 0 H GLY A 10 -3.674 7.988 -2.952 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.975 8.787 -2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.306 9.927 -2.046 1.00 0.00 H new ATOM 157 N PRO A 11 -3.768 8.644 -0.226 1.00 0.00 N ATOM 158 CA PRO A 11 -4.289 8.202 1.055 1.00 0.00 C ATOM 159 C PRO A 11 -4.346 6.679 1.145 1.00 0.00 C ATOM 160 O PRO A 11 -3.888 6.127 2.134 1.00 0.00 O ATOM 161 CB PRO A 11 -5.663 8.861 1.216 1.00 0.00 C ATOM 162 CG PRO A 11 -6.070 9.217 -0.214 1.00 0.00 C ATOM 163 CD PRO A 11 -4.729 9.513 -0.888 1.00 0.00 C ATOM 0 HA PRO A 11 -3.634 8.502 1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.380 8.182 1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.609 9.747 1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.594 8.395 -0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.735 10.080 -0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.773 9.309 -1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.455 10.562 -0.775 1.00 0.00 H new ATOM 171 N PHE A 12 -4.878 5.991 0.129 1.00 0.00 N ATOM 172 CA PHE A 12 -5.034 4.539 0.176 1.00 0.00 C ATOM 173 C PHE A 12 -3.673 3.846 0.319 1.00 0.00 C ATOM 174 O PHE A 12 -3.490 2.987 1.179 1.00 0.00 O ATOM 175 CB PHE A 12 -5.786 4.033 -1.063 1.00 0.00 C ATOM 176 CG PHE A 12 -6.836 2.968 -0.814 1.00 0.00 C ATOM 177 CD1 PHE A 12 -6.480 1.749 -0.207 1.00 0.00 C ATOM 178 CD2 PHE A 12 -8.156 3.163 -1.264 1.00 0.00 C ATOM 179 CE1 PHE A 12 -7.451 0.754 0.000 1.00 0.00 C ATOM 180 CE2 PHE A 12 -9.125 2.166 -1.061 1.00 0.00 C ATOM 181 CZ PHE A 12 -8.778 0.972 -0.408 1.00 0.00 C ATOM 0 H PHE A 12 -5.207 6.420 -0.736 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.628 4.289 1.055 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.267 4.884 -1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.057 3.638 -1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.459 1.578 0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.424 4.081 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.177 -0.178 0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.137 2.318 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.531 0.221 -0.219 1.00 0.00 H new ATOM 191 N THR A 13 -2.711 4.209 -0.538 1.00 0.00 N ATOM 192 CA THR A 13 -1.395 3.585 -0.529 1.00 0.00 C ATOM 193 C THR A 13 -0.694 3.889 0.796 1.00 0.00 C ATOM 194 O THR A 13 -0.097 2.996 1.398 1.00 0.00 O ATOM 195 CB THR A 13 -0.584 3.946 -1.791 1.00 0.00 C ATOM 196 OG1 THR A 13 0.622 3.210 -1.844 1.00 0.00 O ATOM 197 CG2 THR A 13 -0.268 5.433 -1.954 1.00 0.00 C ATOM 0 H THR A 13 -2.826 4.934 -1.246 1.00 0.00 H new ATOM 0 HA THR A 13 -1.496 2.501 -0.582 1.00 0.00 H new ATOM 0 HB THR A 13 -1.240 3.678 -2.619 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.119 3.454 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.304 5.585 -2.869 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.198 5.999 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.316 5.777 -1.100 1.00 0.00 H new ATOM 205 N GLN A 14 -0.796 5.127 1.289 1.00 0.00 N ATOM 206 CA GLN A 14 -0.256 5.450 2.601 1.00 0.00 C ATOM 207 C GLN A 14 -0.926 4.620 3.707 1.00 0.00 C ATOM 208 O GLN A 14 -0.246 4.048 4.557 1.00 0.00 O ATOM 209 CB GLN A 14 -0.370 6.956 2.821 1.00 0.00 C ATOM 210 CG GLN A 14 0.918 7.638 2.337 1.00 0.00 C ATOM 211 CD GLN A 14 0.723 9.113 2.013 1.00 0.00 C ATOM 212 OE1 GLN A 14 0.946 9.538 0.885 1.00 0.00 O ATOM 213 NE2 GLN A 14 0.311 9.910 2.991 1.00 0.00 N ATOM 0 H GLN A 14 -1.241 5.906 0.804 1.00 0.00 H new ATOM 0 HA GLN A 14 0.799 5.181 2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.230 7.350 2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.534 7.170 3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.686 7.538 3.104 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.285 7.122 1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.133 9.528 3.920 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.172 10.905 2.814 1.00 0.00 H new ATOM 222 N ASN A 15 -2.256 4.525 3.676 1.00 0.00 N ATOM 223 CA ASN A 15 -3.031 3.678 4.575 1.00 0.00 C ATOM 224 C ASN A 15 -2.479 2.259 4.577 1.00 0.00 C ATOM 225 O ASN A 15 -2.229 1.705 5.640 1.00 0.00 O ATOM 226 CB ASN A 15 -4.526 3.657 4.205 1.00 0.00 C ATOM 227 CG ASN A 15 -5.375 4.448 5.193 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.082 5.597 5.503 1.00 0.00 O ATOM 229 ND2 ASN A 15 -6.440 3.837 5.708 1.00 0.00 N ATOM 0 H ASN A 15 -2.832 5.044 3.013 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.942 4.104 5.574 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.657 4.070 3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.876 2.625 4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.034 4.326 6.377 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.662 2.880 5.433 1.00 0.00 H new ATOM 236 N LEU A 16 -2.294 1.663 3.399 1.00 0.00 N ATOM 237 CA LEU A 16 -1.746 0.319 3.266 1.00 0.00 C ATOM 238 C LEU A 16 -0.332 0.237 3.843 1.00 0.00 C ATOM 239 O LEU A 16 -0.023 -0.695 4.585 1.00 0.00 O ATOM 240 CB LEU A 16 -1.802 -0.123 1.797 1.00 0.00 C ATOM 241 CG LEU A 16 -3.239 -0.358 1.295 1.00 0.00 C ATOM 242 CD1 LEU A 16 -3.270 -0.455 -0.230 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.833 -1.630 1.901 1.00 0.00 C ATOM 0 H LEU A 16 -2.522 2.104 2.508 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.356 -0.372 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.325 0.636 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.226 -1.041 1.677 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.841 0.494 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.294 -0.621 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.894 0.473 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.644 -1.286 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.848 -1.771 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.221 -2.487 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.854 -1.540 2.987 1.00 0.00 H new ATOM 255 N ALA A 17 0.528 1.207 3.529 1.00 0.00 N ATOM 256 CA ALA A 17 1.865 1.268 4.104 1.00 0.00 C ATOM 257 C ALA A 17 1.801 1.191 5.636 1.00 0.00 C ATOM 258 O ALA A 17 2.443 0.335 6.245 1.00 0.00 O ATOM 259 CB ALA A 17 2.573 2.533 3.618 1.00 0.00 C ATOM 0 H ALA A 17 0.318 1.962 2.877 1.00 0.00 H new ATOM 0 HA ALA A 17 2.446 0.408 3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.573 2.578 4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.646 2.514 2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.005 3.410 3.928 1.00 0.00 H new ATOM 265 N LYS A 18 0.997 2.061 6.254 1.00 0.00 N ATOM 266 CA LYS A 18 0.742 2.026 7.686 1.00 0.00 C ATOM 267 C LYS A 18 0.201 0.661 8.122 1.00 0.00 C ATOM 268 O LYS A 18 0.723 0.076 9.067 1.00 0.00 O ATOM 269 CB LYS A 18 -0.226 3.161 8.073 1.00 0.00 C ATOM 270 CG LYS A 18 0.374 4.116 9.109 1.00 0.00 C ATOM 271 CD LYS A 18 0.615 3.396 10.444 1.00 0.00 C ATOM 272 CE LYS A 18 1.094 4.368 11.529 1.00 0.00 C ATOM 273 NZ LYS A 18 0.053 5.345 11.899 1.00 0.00 N ATOM 0 H LYS A 18 0.505 2.811 5.767 1.00 0.00 H new ATOM 0 HA LYS A 18 1.685 2.179 8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.497 3.723 7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.145 2.731 8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.314 4.521 8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.298 4.961 9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.306 2.912 10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.357 2.609 10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.392 3.805 12.413 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.978 4.898 11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.339 5.846 12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.070 6.031 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.845 4.848 12.067 1.00 0.00 H new ATOM 287 N PHE A 19 -0.835 0.166 7.436 1.00 0.00 N ATOM 288 CA PHE A 19 -1.515 -1.099 7.699 1.00 0.00 C ATOM 289 C PHE A 19 -0.478 -2.192 7.917 1.00 0.00 C ATOM 290 O PHE A 19 -0.545 -2.889 8.921 1.00 0.00 O ATOM 291 CB PHE A 19 -2.473 -1.445 6.548 1.00 0.00 C ATOM 292 CG PHE A 19 -3.464 -2.579 6.765 1.00 0.00 C ATOM 293 CD1 PHE A 19 -3.070 -3.913 6.543 1.00 0.00 C ATOM 294 CD2 PHE A 19 -4.833 -2.288 6.927 1.00 0.00 C ATOM 295 CE1 PHE A 19 -4.037 -4.915 6.341 1.00 0.00 C ATOM 296 CE2 PHE A 19 -5.798 -3.295 6.743 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.404 -4.591 6.371 1.00 0.00 C ATOM 0 H PHE A 19 -1.239 0.665 6.643 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.117 -1.011 8.603 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.040 -0.547 6.303 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.871 -1.690 5.673 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.021 -4.168 6.528 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.143 -1.288 7.193 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.728 -5.934 6.163 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.845 -3.071 6.888 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.145 -5.332 6.110 1.00 0.00 H new ATOM 307 N ALA A 20 0.505 -2.313 7.014 1.00 0.00 N ATOM 308 CA ALA A 20 1.575 -3.302 7.169 1.00 0.00 C ATOM 309 C ALA A 20 2.122 -3.326 8.599 1.00 0.00 C ATOM 310 O ALA A 20 2.108 -4.353 9.276 1.00 0.00 O ATOM 311 CB ALA A 20 2.741 -3.049 6.203 1.00 0.00 C ATOM 0 H ALA A 20 0.579 -1.740 6.173 1.00 0.00 H new ATOM 0 HA ALA A 20 1.123 -4.266 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.510 -3.807 6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.380 -3.099 5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.162 -2.062 6.392 1.00 0.00 H new ATOM 317 N VAL A 21 2.623 -2.173 9.042 1.00 0.00 N ATOM 318 CA VAL A 21 3.319 -2.046 10.306 1.00 0.00 C ATOM 319 C VAL A 21 2.307 -2.120 11.458 1.00 0.00 C ATOM 320 O VAL A 21 2.605 -2.687 12.507 1.00 0.00 O ATOM 321 CB VAL A 21 4.136 -0.738 10.315 1.00 0.00 C ATOM 322 CG1 VAL A 21 4.944 -0.646 11.616 1.00 0.00 C ATOM 323 CG2 VAL A 21 5.139 -0.660 9.152 1.00 0.00 C ATOM 0 H VAL A 21 2.552 -1.298 8.523 1.00 0.00 H new ATOM 0 HA VAL A 21 4.023 -2.868 10.440 1.00 0.00 H new ATOM 0 HB VAL A 21 3.419 0.077 10.220 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.521 0.279 11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.264 -0.654 12.468 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.622 -1.497 11.684 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.687 0.281 9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.839 -1.492 9.219 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.602 -0.713 8.205 1.00 0.00 H new ATOM 333 N ASP A 22 1.112 -1.555 11.272 1.00 0.00 N ATOM 334 CA ASP A 22 0.062 -1.518 12.280 1.00 0.00 C ATOM 335 C ASP A 22 -0.441 -2.926 12.596 1.00 0.00 C ATOM 336 O ASP A 22 -0.388 -3.355 13.745 1.00 0.00 O ATOM 337 CB ASP A 22 -1.082 -0.628 11.791 1.00 0.00 C ATOM 338 CG ASP A 22 -2.213 -0.579 12.812 1.00 0.00 C ATOM 339 OD1 ASP A 22 -2.108 0.263 13.729 1.00 0.00 O ATOM 340 OD2 ASP A 22 -3.153 -1.387 12.660 1.00 0.00 O ATOM 0 H ASP A 22 0.847 -1.103 10.397 1.00 0.00 H new ATOM 0 HA ASP A 22 0.469 -1.101 13.201 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.710 0.380 11.607 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.461 -1.006 10.842 1.00 0.00 H new ATOM 345 N GLU A 23 -0.915 -3.658 11.584 1.00 0.00 N ATOM 346 CA GLU A 23 -1.334 -5.033 11.729 1.00 0.00 C ATOM 347 C GLU A 23 -0.187 -5.844 12.320 1.00 0.00 C ATOM 348 O GLU A 23 -0.405 -6.614 13.251 1.00 0.00 O ATOM 349 CB GLU A 23 -1.767 -5.577 10.364 1.00 0.00 C ATOM 350 CG GLU A 23 -3.280 -5.478 10.130 1.00 0.00 C ATOM 351 CD GLU A 23 -3.853 -4.083 10.377 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.276 -3.116 9.838 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.868 -4.015 11.104 1.00 0.00 O ATOM 0 H GLU A 23 -1.015 -3.298 10.635 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.186 -5.105 12.405 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.247 -5.028 9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.460 -6.619 10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.500 -5.774 9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.786 -6.189 10.783 1.00 0.00 H new ATOM 360 N GLU A 24 1.037 -5.655 11.817 1.00 0.00 N ATOM 361 CA GLU A 24 2.189 -6.294 12.427 1.00 0.00 C ATOM 362 C GLU A 24 2.234 -6.012 13.929 1.00 0.00 C ATOM 363 O GLU A 24 2.269 -6.950 14.715 1.00 0.00 O ATOM 364 CB GLU A 24 3.475 -5.873 11.714 1.00 0.00 C ATOM 365 CG GLU A 24 4.686 -6.623 12.274 1.00 0.00 C ATOM 366 CD GLU A 24 5.282 -5.938 13.508 1.00 0.00 C ATOM 367 OE1 GLU A 24 5.896 -4.866 13.323 1.00 0.00 O ATOM 368 OE2 GLU A 24 5.158 -6.523 14.604 1.00 0.00 O ATOM 0 H GLU A 24 1.246 -5.075 11.004 1.00 0.00 H new ATOM 0 HA GLU A 24 2.097 -7.374 12.312 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.383 -6.070 10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.623 -4.799 11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.391 -7.640 12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.450 -6.701 11.501 1.00 0.00 H new ATOM 375 N ASN A 25 2.222 -4.743 14.334 1.00 0.00 N ATOM 376 CA ASN A 25 2.270 -4.354 15.734 1.00 0.00 C ATOM 377 C ASN A 25 1.137 -5.010 16.524 1.00 0.00 C ATOM 378 O ASN A 25 1.343 -5.460 17.647 1.00 0.00 O ATOM 379 CB ASN A 25 2.210 -2.824 15.850 1.00 0.00 C ATOM 380 CG ASN A 25 3.602 -2.202 15.855 1.00 0.00 C ATOM 381 OD1 ASN A 25 4.080 -1.735 16.881 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.275 -2.189 14.710 1.00 0.00 N ATOM 0 H ASN A 25 2.178 -3.953 13.691 1.00 0.00 H new ATOM 0 HA ASN A 25 3.210 -4.701 16.163 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.634 -2.419 15.018 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.686 -2.549 16.765 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.210 -1.784 14.673 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.856 -2.584 13.868 1.00 0.00 H new ATOM 389 N LYS A 26 -0.062 -5.057 15.940 1.00 0.00 N ATOM 390 CA LYS A 26 -1.240 -5.610 16.583 1.00 0.00 C ATOM 391 C LYS A 26 -1.128 -7.134 16.745 1.00 0.00 C ATOM 392 O LYS A 26 -1.603 -7.680 17.740 1.00 0.00 O ATOM 393 CB LYS A 26 -2.460 -5.164 15.762 1.00 0.00 C ATOM 394 CG LYS A 26 -3.821 -5.532 16.369 1.00 0.00 C ATOM 395 CD LYS A 26 -4.345 -6.865 15.817 1.00 0.00 C ATOM 396 CE LYS A 26 -5.781 -7.140 16.273 1.00 0.00 C ATOM 397 NZ LYS A 26 -5.871 -7.284 17.736 1.00 0.00 N ATOM 0 H LYS A 26 -0.237 -4.707 14.998 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.346 -5.236 17.601 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.417 -4.082 15.634 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.391 -5.606 14.768 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.731 -5.597 17.453 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.541 -4.741 16.156 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.306 -6.849 14.728 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.696 -7.676 16.147 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.428 -6.326 15.947 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.147 -8.049 15.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.848 -7.520 18.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.234 -8.044 18.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.594 -6.390 18.190 1.00 0.00 H new ATOM 411 N ILE A 27 -0.547 -7.823 15.759 1.00 0.00 N ATOM 412 CA ILE A 27 -0.568 -9.281 15.648 1.00 0.00 C ATOM 413 C ILE A 27 0.721 -9.912 16.192 1.00 0.00 C ATOM 414 O ILE A 27 0.670 -10.840 16.998 1.00 0.00 O ATOM 415 CB ILE A 27 -0.832 -9.653 14.174 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.232 -9.162 13.754 1.00 0.00 C ATOM 417 CG2 ILE A 27 -0.729 -11.166 13.969 1.00 0.00 C ATOM 418 CD1 ILE A 27 -2.463 -9.231 12.242 1.00 0.00 C ATOM 0 H ILE A 27 -0.038 -7.371 15.000 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.370 -9.686 16.265 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.077 -9.169 13.555 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.988 -9.763 14.259 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.366 -8.134 14.090 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.919 -11.405 12.923 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.271 -11.503 14.243 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.466 -11.669 14.596 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.466 -8.872 12.010 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.728 -8.608 11.733 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.360 -10.262 11.905 1.00 0.00 H new ATOM 430 N GLY A 28 1.874 -9.442 15.715 1.00 0.00 N ATOM 431 CA GLY A 28 3.199 -9.825 16.184 1.00 0.00 C ATOM 432 C GLY A 28 3.588 -11.262 15.837 1.00 0.00 C ATOM 433 O GLY A 28 4.283 -11.914 16.611 1.00 0.00 O ATOM 0 H GLY A 28 1.908 -8.756 14.961 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.936 -9.146 15.755 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.241 -9.699 17.266 1.00 0.00 H new ATOM 437 N GLN A 29 3.174 -11.772 14.670 1.00 0.00 N ATOM 438 CA GLN A 29 3.572 -13.106 14.212 1.00 0.00 C ATOM 439 C GLN A 29 4.926 -13.076 13.496 1.00 0.00 C ATOM 440 O GLN A 29 5.652 -14.065 13.535 1.00 0.00 O ATOM 441 CB GLN A 29 2.481 -13.732 13.321 1.00 0.00 C ATOM 442 CG GLN A 29 1.574 -14.729 14.066 1.00 0.00 C ATOM 443 CD GLN A 29 0.587 -14.061 15.019 1.00 0.00 C ATOM 444 OE1 GLN A 29 -0.618 -14.119 14.803 1.00 0.00 O ATOM 445 NE2 GLN A 29 1.086 -13.406 16.062 1.00 0.00 N ATOM 0 H GLN A 29 2.560 -11.276 14.024 1.00 0.00 H new ATOM 0 HA GLN A 29 3.687 -13.736 15.094 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.865 -12.936 12.902 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.956 -14.242 12.483 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.019 -15.319 13.336 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.197 -15.424 14.629 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.095 -13.378 16.212 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.460 -12.931 16.713 1.00 0.00 H new ATOM 454 N TYR A 30 5.241 -11.973 12.808 1.00 0.00 N ATOM 455 CA TYR A 30 6.386 -11.872 11.904 1.00 0.00 C ATOM 456 C TYR A 30 7.347 -10.755 12.327 1.00 0.00 C ATOM 457 O TYR A 30 8.532 -11.014 12.516 1.00 0.00 O ATOM 458 CB TYR A 30 5.897 -11.736 10.453 1.00 0.00 C ATOM 459 CG TYR A 30 4.666 -10.869 10.252 1.00 0.00 C ATOM 460 CD1 TYR A 30 3.383 -11.413 10.445 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.800 -9.528 9.857 1.00 0.00 C ATOM 462 CE1 TYR A 30 2.244 -10.600 10.324 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.655 -8.748 9.625 1.00 0.00 C ATOM 464 CZ TYR A 30 2.381 -9.268 9.900 1.00 0.00 C ATOM 465 OH TYR A 30 1.286 -8.464 9.797 1.00 0.00 O ATOM 0 H TYR A 30 4.697 -11.112 12.867 1.00 0.00 H new ATOM 0 HA TYR A 30 6.969 -12.791 11.965 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.709 -11.327 9.852 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.684 -12.732 10.066 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.273 -12.460 10.687 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.782 -9.097 9.732 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.267 -10.997 10.556 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.755 -7.746 9.234 1.00 0.00 H new ATOM 0 HH TYR A 30 1.561 -7.574 9.491 1.00 0.00 H new ATOM 475 N GLY A 31 6.849 -9.523 12.487 1.00 0.00 N ATOM 476 CA GLY A 31 7.676 -8.377 12.859 1.00 0.00 C ATOM 477 C GLY A 31 8.062 -7.573 11.619 1.00 0.00 C ATOM 478 O GLY A 31 8.475 -8.167 10.629 1.00 0.00 O ATOM 0 H GLY A 31 5.862 -9.296 12.362 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.133 -7.741 13.558 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.575 -8.720 13.372 1.00 0.00 H new ATOM 482 N ARG A 32 7.935 -6.236 11.646 1.00 0.00 N ATOM 483 CA ARG A 32 8.233 -5.372 10.507 1.00 0.00 C ATOM 484 C ARG A 32 9.639 -4.791 10.616 1.00 0.00 C ATOM 485 O ARG A 32 9.875 -3.629 10.287 1.00 0.00 O ATOM 486 CB ARG A 32 7.153 -4.284 10.337 1.00 0.00 C ATOM 487 CG ARG A 32 6.617 -4.162 8.906 1.00 0.00 C ATOM 488 CD ARG A 32 7.629 -3.731 7.832 1.00 0.00 C ATOM 489 NE ARG A 32 7.934 -4.823 6.894 1.00 0.00 N ATOM 490 CZ ARG A 32 7.168 -5.185 5.853 1.00 0.00 C ATOM 491 NH1 ARG A 32 5.980 -4.603 5.657 1.00 0.00 N ATOM 492 NH2 ARG A 32 7.590 -6.136 5.013 1.00 0.00 N ATOM 0 H ARG A 32 7.619 -5.726 12.471 1.00 0.00 H new ATOM 0 HA ARG A 32 8.212 -5.977 9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.323 -4.502 11.009 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.567 -3.323 10.643 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.199 -5.125 8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.796 -3.446 8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.232 -2.879 7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.549 -3.398 8.313 1.00 0.00 H new ATOM 0 HE ARG A 32 8.796 -5.346 7.047 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.653 -3.881 6.300 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.401 -4.881 4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.493 -6.585 5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.009 -6.412 4.222 1.00 0.00 H new ATOM 506 N LEU A 33 10.590 -5.644 10.999 1.00 0.00 N ATOM 507 CA LEU A 33 11.999 -5.298 10.995 1.00 0.00 C ATOM 508 C LEU A 33 12.205 -3.948 11.713 1.00 0.00 C ATOM 509 O LEU A 33 11.759 -3.798 12.849 1.00 0.00 O ATOM 510 CB LEU A 33 12.505 -5.349 9.544 1.00 0.00 C ATOM 511 CG LEU A 33 12.332 -6.683 8.782 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.990 -7.861 9.508 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.893 -7.061 8.411 1.00 0.00 C ATOM 0 H LEU A 33 10.398 -6.593 11.320 1.00 0.00 H new ATOM 0 HA LEU A 33 12.601 -6.012 11.558 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.993 -4.569 8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.565 -5.097 9.547 1.00 0.00 H new ATOM 0 HG LEU A 33 12.847 -6.485 7.842 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.840 -8.774 8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.058 -7.672 9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.541 -7.977 10.494 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.892 -8.013 7.881 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.295 -7.150 9.318 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.468 -6.289 7.770 1.00 0.00 H new ATOM 525 N THR A 34 12.865 -2.974 11.080 1.00 0.00 N ATOM 526 CA THR A 34 13.007 -1.622 11.618 1.00 0.00 C ATOM 527 C THR A 34 12.706 -0.602 10.519 1.00 0.00 C ATOM 528 O THR A 34 13.481 -0.532 9.575 1.00 0.00 O ATOM 529 CB THR A 34 14.428 -1.452 12.168 1.00 0.00 C ATOM 530 OG1 THR A 34 14.656 -2.396 13.195 1.00 0.00 O ATOM 531 CG2 THR A 34 14.689 -0.043 12.710 1.00 0.00 C ATOM 0 H THR A 34 13.318 -3.104 10.175 1.00 0.00 H new ATOM 0 HA THR A 34 12.300 -1.458 12.431 1.00 0.00 H new ATOM 0 HB THR A 34 15.114 -1.614 11.336 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.565 -2.287 13.544 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.710 0.019 13.086 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.552 0.685 11.911 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.991 0.171 13.519 1.00 0.00 H new ATOM 539 N PHE A 35 11.610 0.167 10.656 1.00 0.00 N ATOM 540 CA PHE A 35 11.130 1.216 9.744 1.00 0.00 C ATOM 541 C PHE A 35 12.078 1.525 8.581 1.00 0.00 C ATOM 542 O PHE A 35 12.950 2.381 8.709 1.00 0.00 O ATOM 543 CB PHE A 35 10.841 2.506 10.521 1.00 0.00 C ATOM 544 CG PHE A 35 9.591 2.496 11.380 1.00 0.00 C ATOM 545 CD1 PHE A 35 8.327 2.424 10.761 1.00 0.00 C ATOM 546 CD2 PHE A 35 9.673 2.782 12.756 1.00 0.00 C ATOM 547 CE1 PHE A 35 7.157 2.619 11.513 1.00 0.00 C ATOM 548 CE2 PHE A 35 8.502 2.977 13.509 1.00 0.00 C ATOM 549 CZ PHE A 35 7.243 2.894 12.888 1.00 0.00 C ATOM 0 H PHE A 35 10.996 0.063 11.463 1.00 0.00 H new ATOM 0 HA PHE A 35 10.217 0.818 9.300 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.697 2.721 11.161 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.762 3.327 9.808 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.258 2.218 9.703 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.639 2.852 13.235 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.191 2.558 11.034 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.569 3.191 14.565 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.344 3.041 13.467 1.00 0.00 H new ATOM 559 N ASN A 36 11.893 0.822 7.461 1.00 0.00 N ATOM 560 CA ASN A 36 12.791 0.844 6.325 1.00 0.00 C ATOM 561 C ASN A 36 12.158 1.793 5.302 1.00 0.00 C ATOM 562 O ASN A 36 12.056 2.986 5.577 1.00 0.00 O ATOM 563 CB ASN A 36 13.053 -0.600 5.836 1.00 0.00 C ATOM 564 CG ASN A 36 12.909 -1.665 6.922 1.00 0.00 C ATOM 565 OD1 ASN A 36 13.872 -2.273 7.379 1.00 0.00 O ATOM 566 ND2 ASN A 36 11.655 -2.002 7.237 1.00 0.00 N ATOM 0 H ASN A 36 11.090 0.208 7.325 1.00 0.00 H new ATOM 0 HA ASN A 36 13.787 1.224 6.555 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.361 -0.828 5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.059 -0.654 5.421 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.480 -2.781 7.871 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.872 -1.480 6.843 1.00 0.00 H new ATOM 573 N LYS A 37 11.659 1.290 4.168 1.00 0.00 N ATOM 574 CA LYS A 37 10.903 2.051 3.191 1.00 0.00 C ATOM 575 C LYS A 37 10.246 1.038 2.246 1.00 0.00 C ATOM 576 O LYS A 37 10.462 -0.165 2.392 1.00 0.00 O ATOM 577 CB LYS A 37 11.842 3.029 2.462 1.00 0.00 C ATOM 578 CG LYS A 37 11.105 4.221 1.840 1.00 0.00 C ATOM 579 CD LYS A 37 12.058 5.417 1.733 1.00 0.00 C ATOM 580 CE LYS A 37 11.404 6.589 0.994 1.00 0.00 C ATOM 581 NZ LYS A 37 12.296 7.761 0.963 1.00 0.00 N ATOM 0 H LYS A 37 11.778 0.312 3.905 1.00 0.00 H new ATOM 0 HA LYS A 37 10.125 2.660 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.589 3.398 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.378 2.493 1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.729 3.954 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.241 4.485 2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.357 5.736 2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.965 5.116 1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.158 6.289 -0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.467 6.854 1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.828 8.540 0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.511 8.060 1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.180 7.512 0.475 1.00 0.00 H new ATOM 595 N VAL A 38 9.450 1.517 1.292 1.00 0.00 N ATOM 596 CA VAL A 38 8.908 0.748 0.180 1.00 0.00 C ATOM 597 C VAL A 38 9.746 1.095 -1.051 1.00 0.00 C ATOM 598 O VAL A 38 10.168 2.244 -1.173 1.00 0.00 O ATOM 599 CB VAL A 38 7.405 1.072 0.044 1.00 0.00 C ATOM 600 CG1 VAL A 38 7.123 2.583 -0.004 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.732 0.376 -1.146 1.00 0.00 C ATOM 0 H VAL A 38 9.154 2.493 1.275 1.00 0.00 H new ATOM 0 HA VAL A 38 8.968 -0.331 0.325 1.00 0.00 H new ATOM 0 HB VAL A 38 6.960 0.668 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.050 2.750 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.482 3.049 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.637 3.022 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.677 0.650 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.217 0.687 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.823 -0.704 -1.035 1.00 0.00 H new ATOM 611 N ILE A 39 10.037 0.125 -1.932 1.00 0.00 N ATOM 612 CA ILE A 39 10.890 0.415 -3.088 1.00 0.00 C ATOM 613 C ILE A 39 10.271 1.508 -3.964 1.00 0.00 C ATOM 614 O ILE A 39 10.931 2.497 -4.267 1.00 0.00 O ATOM 615 CB ILE A 39 11.249 -0.832 -3.922 1.00 0.00 C ATOM 616 CG1 ILE A 39 10.077 -1.766 -4.269 1.00 0.00 C ATOM 617 CG2 ILE A 39 12.362 -1.651 -3.256 1.00 0.00 C ATOM 618 CD1 ILE A 39 9.844 -1.857 -5.778 1.00 0.00 C ATOM 0 H ILE A 39 9.705 -0.837 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 39 11.833 0.781 -2.682 1.00 0.00 H new ATOM 0 HB ILE A 39 11.589 -0.412 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.277 -2.761 -3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.170 -1.406 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.590 -2.522 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 39 13.256 -1.035 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 39 12.032 -1.978 -2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.008 -2.527 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.617 -0.866 -6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.741 -2.243 -6.262 1.00 0.00 H new ATOM 630 N ARG A 40 9.003 1.306 -4.340 1.00 0.00 N ATOM 631 CA ARG A 40 8.208 2.149 -5.230 1.00 0.00 C ATOM 632 C ARG A 40 8.747 2.122 -6.672 1.00 0.00 C ATOM 633 O ARG A 40 9.939 1.918 -6.891 1.00 0.00 O ATOM 634 CB ARG A 40 8.088 3.595 -4.708 1.00 0.00 C ATOM 635 CG ARG A 40 7.102 3.743 -3.540 1.00 0.00 C ATOM 636 CD ARG A 40 5.665 4.038 -3.999 1.00 0.00 C ATOM 637 NE ARG A 40 4.887 4.645 -2.909 1.00 0.00 N ATOM 638 CZ ARG A 40 3.806 5.426 -3.077 1.00 0.00 C ATOM 639 NH1 ARG A 40 3.215 5.524 -4.272 1.00 0.00 N ATOM 640 NH2 ARG A 40 3.328 6.121 -2.039 1.00 0.00 N ATOM 0 H ARG A 40 8.475 0.499 -4.008 1.00 0.00 H new ATOM 0 HA ARG A 40 7.203 1.727 -5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.071 3.941 -4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.771 4.243 -5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.108 2.827 -2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.441 4.547 -2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.683 4.709 -4.858 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.185 3.115 -4.325 1.00 0.00 H new ATOM 0 HE ARG A 40 5.191 4.459 -1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.584 5.003 -5.068 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.395 6.120 -4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.783 6.056 -1.129 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.508 6.716 -2.158 1.00 0.00 H new ATOM 654 N PRO A 41 7.888 2.348 -7.681 1.00 0.00 N ATOM 655 CA PRO A 41 6.437 2.407 -7.579 1.00 0.00 C ATOM 656 C PRO A 41 5.862 1.001 -7.337 1.00 0.00 C ATOM 657 O PRO A 41 6.607 0.046 -7.130 1.00 0.00 O ATOM 658 CB PRO A 41 5.978 3.030 -8.901 1.00 0.00 C ATOM 659 CG PRO A 41 7.040 2.563 -9.896 1.00 0.00 C ATOM 660 CD PRO A 41 8.317 2.532 -9.055 1.00 0.00 C ATOM 0 HA PRO A 41 6.086 3.002 -6.736 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.983 2.686 -9.184 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.934 4.117 -8.840 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.804 1.581 -10.306 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.130 3.247 -10.740 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.972 1.720 -9.371 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.880 3.458 -9.167 1.00 0.00 H new ATOM 668 N CYS A 42 4.534 0.894 -7.314 1.00 0.00 N ATOM 669 CA CYS A 42 3.781 -0.321 -7.013 1.00 0.00 C ATOM 670 C CYS A 42 2.664 -0.449 -8.046 1.00 0.00 C ATOM 671 O CYS A 42 2.641 0.336 -8.997 1.00 0.00 O ATOM 672 CB CYS A 42 3.216 -0.233 -5.588 1.00 0.00 C ATOM 673 SG CYS A 42 4.522 -0.277 -4.340 1.00 0.00 S ATOM 0 H CYS A 42 3.927 1.689 -7.514 1.00 0.00 H new ATOM 0 HA CYS A 42 4.420 -1.202 -7.063 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.643 0.688 -5.481 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.525 -1.059 -5.420 1.00 0.00 H new ATOM 0 HG CYS A 42 3.993 -0.198 -3.155 1.00 0.00 H new ATOM 679 N MET A 43 1.738 -1.409 -7.898 1.00 0.00 N ATOM 680 CA MET A 43 0.727 -1.627 -8.930 1.00 0.00 C ATOM 681 C MET A 43 -0.524 -2.312 -8.359 1.00 0.00 C ATOM 682 O MET A 43 -0.453 -3.026 -7.358 1.00 0.00 O ATOM 683 CB MET A 43 1.384 -2.407 -10.086 1.00 0.00 C ATOM 684 CG MET A 43 0.899 -1.954 -11.470 1.00 0.00 C ATOM 685 SD MET A 43 2.090 -2.141 -12.822 1.00 0.00 S ATOM 686 CE MET A 43 3.232 -0.788 -12.440 1.00 0.00 C ATOM 0 H MET A 43 1.672 -2.031 -7.092 1.00 0.00 H new ATOM 0 HA MET A 43 0.367 -0.675 -9.319 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.466 -2.286 -10.029 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.175 -3.470 -9.964 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.001 -2.517 -11.722 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.610 -0.905 -11.408 1.00 0.00 H new ATOM 0 HE1 MET A 43 3.968 -0.697 -13.239 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.675 0.145 -12.352 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.742 -0.997 -11.499 1.00 0.00 H new ATOM 696 N LYS A 44 -1.679 -2.048 -8.976 1.00 0.00 N ATOM 697 CA LYS A 44 -2.989 -2.558 -8.583 1.00 0.00 C ATOM 698 C LYS A 44 -3.395 -3.738 -9.472 1.00 0.00 C ATOM 699 O LYS A 44 -3.091 -3.754 -10.668 1.00 0.00 O ATOM 700 CB LYS A 44 -4.022 -1.425 -8.680 1.00 0.00 C ATOM 701 CG LYS A 44 -5.405 -1.880 -8.185 1.00 0.00 C ATOM 702 CD LYS A 44 -6.409 -0.732 -8.070 1.00 0.00 C ATOM 703 CE LYS A 44 -6.813 -0.152 -9.426 1.00 0.00 C ATOM 704 NZ LYS A 44 -7.854 0.877 -9.270 1.00 0.00 N ATOM 0 H LYS A 44 -1.725 -1.446 -9.798 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.944 -2.915 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.685 -0.573 -8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.097 -1.087 -9.714 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.799 -2.632 -8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.296 -2.359 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.300 -1.087 -7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.979 0.059 -7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.940 0.280 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.179 -0.950 -10.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.111 1.255 -10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.694 0.456 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.494 1.648 -8.672 1.00 0.00 H new ATOM 718 N LYS A 45 -4.129 -4.689 -8.883 1.00 0.00 N ATOM 719 CA LYS A 45 -4.690 -5.871 -9.520 1.00 0.00 C ATOM 720 C LYS A 45 -6.194 -5.923 -9.200 1.00 0.00 C ATOM 721 O LYS A 45 -6.612 -5.456 -8.144 1.00 0.00 O ATOM 722 CB LYS A 45 -3.964 -7.104 -8.942 1.00 0.00 C ATOM 723 CG LYS A 45 -4.538 -8.459 -9.403 1.00 0.00 C ATOM 724 CD LYS A 45 -4.574 -9.561 -8.344 1.00 0.00 C ATOM 725 CE LYS A 45 -3.303 -10.413 -8.251 1.00 0.00 C ATOM 726 NZ LYS A 45 -2.174 -9.667 -7.672 1.00 0.00 N ATOM 0 H LYS A 45 -4.357 -4.645 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.561 -5.849 -10.602 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.912 -7.055 -9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.006 -7.057 -7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.553 -8.297 -9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.949 -8.813 -10.249 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.759 -9.104 -7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.419 -10.217 -8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.503 -11.295 -7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.031 -10.766 -9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.316 -10.254 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.019 -8.794 -8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.388 -9.425 -6.683 1.00 0.00 H new ATOM 740 N THR A 46 -6.996 -6.515 -10.093 1.00 0.00 N ATOM 741 CA THR A 46 -8.355 -6.972 -9.818 1.00 0.00 C ATOM 742 C THR A 46 -8.288 -8.498 -9.674 1.00 0.00 C ATOM 743 O THR A 46 -7.675 -9.153 -10.517 1.00 0.00 O ATOM 744 CB THR A 46 -9.291 -6.500 -10.933 1.00 0.00 C ATOM 745 OG1 THR A 46 -10.618 -6.861 -10.619 1.00 0.00 O ATOM 746 CG2 THR A 46 -8.928 -7.023 -12.324 1.00 0.00 C ATOM 0 H THR A 46 -6.704 -6.693 -11.054 1.00 0.00 H new ATOM 0 HA THR A 46 -8.761 -6.554 -8.897 1.00 0.00 H new ATOM 0 HB THR A 46 -9.181 -5.417 -10.983 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.217 -6.557 -11.332 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.642 -6.641 -13.054 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.925 -6.689 -12.588 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.959 -8.113 -12.323 1.00 0.00 H new ATOM 754 N ILE A 47 -8.803 -9.062 -8.575 1.00 0.00 N ATOM 755 CA ILE A 47 -8.598 -10.458 -8.215 1.00 0.00 C ATOM 756 C ILE A 47 -9.853 -11.295 -8.426 1.00 0.00 C ATOM 757 O ILE A 47 -10.986 -10.874 -8.172 1.00 0.00 O ATOM 758 CB ILE A 47 -8.018 -10.605 -6.807 1.00 0.00 C ATOM 759 CG1 ILE A 47 -7.765 -12.094 -6.502 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.878 -9.939 -5.738 1.00 0.00 C ATOM 761 CD1 ILE A 47 -6.889 -12.308 -5.269 1.00 0.00 C ATOM 0 H ILE A 47 -9.380 -8.550 -7.907 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.849 -10.858 -8.899 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.066 -10.075 -6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.721 -12.597 -6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.289 -12.561 -7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.415 -10.077 -4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.964 -8.874 -5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.870 -10.390 -5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.746 -13.376 -5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.921 -11.832 -5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.374 -11.869 -4.397 1.00 0.00 H new ATOM 773 N TYR A 48 -9.604 -12.512 -8.899 1.00 0.00 N ATOM 774 CA TYR A 48 -10.613 -13.420 -9.386 1.00 0.00 C ATOM 775 C TYR A 48 -10.942 -14.463 -8.326 1.00 0.00 C ATOM 776 O TYR A 48 -10.067 -14.988 -7.641 1.00 0.00 O ATOM 777 CB TYR A 48 -10.112 -14.099 -10.661 1.00 0.00 C ATOM 778 CG TYR A 48 -10.051 -13.279 -11.940 1.00 0.00 C ATOM 779 CD1 TYR A 48 -10.432 -11.924 -11.968 1.00 0.00 C ATOM 780 CD2 TYR A 48 -9.649 -13.903 -13.135 1.00 0.00 C ATOM 781 CE1 TYR A 48 -10.376 -11.190 -13.166 1.00 0.00 C ATOM 782 CE2 TYR A 48 -9.633 -13.184 -14.342 1.00 0.00 C ATOM 783 CZ TYR A 48 -10.005 -11.829 -14.358 1.00 0.00 C ATOM 784 OH TYR A 48 -10.042 -11.144 -15.535 1.00 0.00 O ATOM 0 H TYR A 48 -8.661 -12.897 -8.952 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.522 -12.861 -9.610 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.110 -14.480 -10.463 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.750 -14.962 -10.850 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.770 -11.444 -11.061 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.351 -14.941 -13.125 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.618 -10.137 -13.168 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.335 -13.673 -15.258 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.754 -11.731 -16.265 1.00 0.00 H new ATOM 794 N GLU A 49 -12.222 -14.806 -8.249 1.00 0.00 N ATOM 795 CA GLU A 49 -12.809 -15.726 -7.301 1.00 0.00 C ATOM 796 C GLU A 49 -12.722 -17.135 -7.884 1.00 0.00 C ATOM 797 O GLU A 49 -13.722 -17.842 -7.962 1.00 0.00 O ATOM 798 CB GLU A 49 -14.267 -15.292 -7.105 1.00 0.00 C ATOM 799 CG GLU A 49 -14.792 -15.681 -5.715 1.00 0.00 C ATOM 800 CD GLU A 49 -16.201 -16.262 -5.745 1.00 0.00 C ATOM 801 OE1 GLU A 49 -17.096 -15.552 -6.251 1.00 0.00 O ATOM 802 OE2 GLU A 49 -16.359 -17.396 -5.243 1.00 0.00 O ATOM 0 H GLU A 49 -12.916 -14.421 -8.890 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.294 -15.723 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.346 -14.213 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.890 -15.752 -7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.115 -16.410 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.782 -14.802 -5.071 1.00 0.00 H new ATOM 809 N ASN A 50 -11.530 -17.503 -8.354 1.00 0.00 N ATOM 810 CA ASN A 50 -11.311 -18.694 -9.172 1.00 0.00 C ATOM 811 C ASN A 50 -11.749 -19.991 -8.478 1.00 0.00 C ATOM 812 O ASN A 50 -10.937 -20.687 -7.874 1.00 0.00 O ATOM 813 CB ASN A 50 -9.849 -18.761 -9.633 1.00 0.00 C ATOM 814 CG ASN A 50 -9.633 -19.851 -10.684 1.00 0.00 C ATOM 815 OD1 ASN A 50 -10.525 -20.633 -10.994 1.00 0.00 O ATOM 816 ND2 ASN A 50 -8.449 -19.892 -11.285 1.00 0.00 N ATOM 0 H ASN A 50 -10.677 -16.973 -8.174 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.950 -18.603 -10.050 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.553 -17.796 -10.044 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.206 -18.952 -8.774 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.272 -20.581 -12.016 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.717 -19.234 -11.016 1.00 0.00 H new ATOM 823 N GLU A 51 -13.038 -20.308 -8.602 1.00 0.00 N ATOM 824 CA GLU A 51 -13.721 -21.444 -8.035 1.00 0.00 C ATOM 825 C GLU A 51 -14.922 -21.740 -8.933 1.00 0.00 C ATOM 826 O GLU A 51 -16.042 -21.306 -8.670 1.00 0.00 O ATOM 827 CB GLU A 51 -14.117 -21.134 -6.580 1.00 0.00 C ATOM 828 CG GLU A 51 -13.228 -21.886 -5.584 1.00 0.00 C ATOM 829 CD GLU A 51 -13.616 -21.567 -4.144 1.00 0.00 C ATOM 830 OE1 GLU A 51 -14.654 -22.110 -3.705 1.00 0.00 O ATOM 831 OE2 GLU A 51 -12.871 -20.788 -3.510 1.00 0.00 O ATOM 0 H GLU A 51 -13.671 -19.723 -9.147 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.087 -22.330 -7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.039 -20.062 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.159 -21.409 -6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.312 -22.959 -5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.185 -21.617 -5.750 1.00 0.00 H new ATOM 838 N GLY A 52 -14.677 -22.420 -10.054 1.00 0.00 N ATOM 839 CA GLY A 52 -15.687 -22.766 -11.040 1.00 0.00 C ATOM 840 C GLY A 52 -15.986 -21.573 -11.945 1.00 0.00 C ATOM 841 O GLY A 52 -15.927 -21.684 -13.167 1.00 0.00 O ATOM 0 H GLY A 52 -13.745 -22.751 -10.302 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.343 -23.608 -11.641 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.600 -23.085 -10.537 1.00 0.00 H new ATOM 845 N PHE A 53 -16.283 -20.430 -11.329 1.00 0.00 N ATOM 846 CA PHE A 53 -16.589 -19.173 -11.990 1.00 0.00 C ATOM 847 C PHE A 53 -15.515 -18.145 -11.644 1.00 0.00 C ATOM 848 O PHE A 53 -15.262 -17.873 -10.475 1.00 0.00 O ATOM 849 CB PHE A 53 -17.970 -18.675 -11.552 1.00 0.00 C ATOM 850 CG PHE A 53 -19.119 -19.477 -12.134 1.00 0.00 C ATOM 851 CD1 PHE A 53 -19.545 -20.663 -11.507 1.00 0.00 C ATOM 852 CD2 PHE A 53 -19.725 -19.066 -13.337 1.00 0.00 C ATOM 853 CE1 PHE A 53 -20.579 -21.428 -12.076 1.00 0.00 C ATOM 854 CE2 PHE A 53 -20.763 -19.828 -13.900 1.00 0.00 C ATOM 855 CZ PHE A 53 -21.190 -21.010 -13.270 1.00 0.00 C ATOM 0 H PHE A 53 -16.317 -20.357 -10.312 1.00 0.00 H new ATOM 0 HA PHE A 53 -16.603 -19.322 -13.070 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -18.030 -18.707 -10.464 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -18.081 -17.631 -11.847 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -19.078 -20.986 -10.588 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -19.391 -18.164 -13.828 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -20.904 -22.338 -11.594 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -21.233 -19.505 -14.817 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.987 -21.596 -13.703 1.00 0.00 H new ATOM 865 N ARG A 54 -14.925 -17.538 -12.673 1.00 0.00 N ATOM 866 CA ARG A 54 -14.020 -16.391 -12.613 1.00 0.00 C ATOM 867 C ARG A 54 -14.751 -15.114 -12.168 1.00 0.00 C ATOM 868 O ARG A 54 -14.674 -14.082 -12.832 1.00 0.00 O ATOM 869 CB ARG A 54 -13.383 -16.233 -14.013 1.00 0.00 C ATOM 870 CG ARG A 54 -14.421 -15.981 -15.135 1.00 0.00 C ATOM 871 CD ARG A 54 -13.922 -16.353 -16.540 1.00 0.00 C ATOM 872 NE ARG A 54 -13.510 -15.173 -17.311 1.00 0.00 N ATOM 873 CZ ARG A 54 -13.343 -15.167 -18.642 1.00 0.00 C ATOM 874 NH1 ARG A 54 -13.406 -16.309 -19.338 1.00 0.00 N ATOM 875 NH2 ARG A 54 -13.118 -14.013 -19.278 1.00 0.00 N ATOM 0 H ARG A 54 -15.076 -17.854 -13.631 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.244 -16.560 -11.866 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.675 -15.405 -13.991 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.814 -17.132 -14.249 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.323 -16.553 -14.917 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.702 -14.928 -15.127 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.081 -17.041 -16.455 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.711 -16.879 -17.077 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.340 -14.305 -16.803 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.582 -17.191 -18.856 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.278 -16.297 -20.350 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.074 -13.141 -18.751 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.991 -14.005 -20.290 1.00 0.00 H new ATOM 889 N GLU A 55 -15.468 -15.174 -11.044 1.00 0.00 N ATOM 890 CA GLU A 55 -16.172 -14.023 -10.495 1.00 0.00 C ATOM 891 C GLU A 55 -15.141 -13.070 -9.874 1.00 0.00 C ATOM 892 O GLU A 55 -13.948 -13.369 -9.867 1.00 0.00 O ATOM 893 CB GLU A 55 -17.248 -14.520 -9.514 1.00 0.00 C ATOM 894 CG GLU A 55 -18.550 -13.701 -9.521 1.00 0.00 C ATOM 895 CD GLU A 55 -18.689 -12.795 -8.304 1.00 0.00 C ATOM 896 OE1 GLU A 55 -18.156 -11.667 -8.389 1.00 0.00 O ATOM 897 OE2 GLU A 55 -19.329 -13.239 -7.327 1.00 0.00 O ATOM 0 H GLU A 55 -15.574 -16.025 -10.491 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.698 -13.455 -11.263 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.486 -15.557 -9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.834 -14.510 -8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -18.586 -13.094 -10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -19.401 -14.381 -9.560 1.00 0.00 H new ATOM 904 N ILE A 56 -15.575 -11.922 -9.361 1.00 0.00 N ATOM 905 CA ILE A 56 -14.689 -10.886 -8.844 1.00 0.00 C ATOM 906 C ILE A 56 -14.670 -10.985 -7.319 1.00 0.00 C ATOM 907 O ILE A 56 -15.689 -10.746 -6.677 1.00 0.00 O ATOM 908 CB ILE A 56 -15.182 -9.515 -9.337 1.00 0.00 C ATOM 909 CG1 ILE A 56 -15.108 -9.438 -10.876 1.00 0.00 C ATOM 910 CG2 ILE A 56 -14.357 -8.372 -8.730 1.00 0.00 C ATOM 911 CD1 ILE A 56 -16.421 -8.924 -11.467 1.00 0.00 C ATOM 0 H ILE A 56 -16.564 -11.683 -9.292 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.668 -11.015 -9.204 1.00 0.00 H new ATOM 0 HB ILE A 56 -16.218 -9.404 -9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -14.291 -8.780 -11.171 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -14.885 -10.425 -11.282 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -14.731 -7.417 -9.099 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -14.441 -8.399 -7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.311 -8.486 -9.016 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -16.339 -8.880 -12.553 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.232 -9.597 -11.191 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -16.629 -7.927 -11.079 1.00 0.00 H new ATOM 923 N LYS A 57 -13.520 -11.327 -6.731 1.00 0.00 N ATOM 924 CA LYS A 57 -13.396 -11.417 -5.281 1.00 0.00 C ATOM 925 C LYS A 57 -13.192 -10.002 -4.725 1.00 0.00 C ATOM 926 O LYS A 57 -13.733 -9.638 -3.679 1.00 0.00 O ATOM 927 CB LYS A 57 -12.248 -12.376 -4.918 1.00 0.00 C ATOM 928 CG LYS A 57 -12.411 -13.096 -3.568 1.00 0.00 C ATOM 929 CD LYS A 57 -12.549 -12.153 -2.367 1.00 0.00 C ATOM 930 CE LYS A 57 -12.441 -12.925 -1.047 1.00 0.00 C ATOM 931 NZ LYS A 57 -12.686 -12.042 0.106 1.00 0.00 N ATOM 0 H LYS A 57 -12.664 -11.545 -7.241 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.299 -11.828 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.157 -13.125 -5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.314 -11.814 -4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.291 -13.738 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.550 -13.746 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.773 -11.388 -2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.508 -11.637 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.161 -13.744 -1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.450 -13.371 -0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.607 -12.590 0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.984 -11.275 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.641 -11.636 0.036 1.00 0.00 H new ATOM 945 N GLY A 58 -12.424 -9.176 -5.443 1.00 0.00 N ATOM 946 CA GLY A 58 -12.169 -7.810 -5.036 1.00 0.00 C ATOM 947 C GLY A 58 -11.054 -7.201 -5.861 1.00 0.00 C ATOM 948 O GLY A 58 -10.691 -7.714 -6.919 1.00 0.00 O ATOM 0 H GLY A 58 -11.969 -9.443 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.076 -7.217 -5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.901 -7.785 -3.980 1.00 0.00 H new ATOM 952 N TYR A 59 -10.516 -6.101 -5.341 1.00 0.00 N ATOM 953 CA TYR A 59 -9.287 -5.493 -5.814 1.00 0.00 C ATOM 954 C TYR A 59 -8.142 -5.988 -4.941 1.00 0.00 C ATOM 955 O TYR A 59 -8.373 -6.524 -3.861 1.00 0.00 O ATOM 956 CB TYR A 59 -9.400 -3.965 -5.776 1.00 0.00 C ATOM 957 CG TYR A 59 -10.273 -3.391 -6.876 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.913 -3.572 -8.227 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.432 -2.660 -6.557 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.650 -2.949 -9.244 1.00 0.00 C ATOM 961 CE2 TYR A 59 -12.196 -2.074 -7.582 1.00 0.00 C ATOM 962 CZ TYR A 59 -11.793 -2.201 -8.921 1.00 0.00 C ATOM 963 OH TYR A 59 -12.514 -1.594 -9.904 1.00 0.00 O ATOM 0 H TYR A 59 -10.938 -5.599 -4.559 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.098 -5.776 -6.849 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.803 -3.663 -4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.402 -3.534 -5.854 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.066 -4.193 -8.479 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.735 -2.549 -5.526 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.339 -3.044 -10.274 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.094 -1.525 -7.339 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.274 -1.119 -9.507 1.00 0.00 H new ATOM 973 N GLU A 60 -6.915 -5.808 -5.415 1.00 0.00 N ATOM 974 CA GLU A 60 -5.692 -6.127 -4.722 1.00 0.00 C ATOM 975 C GLU A 60 -4.729 -4.983 -4.998 1.00 0.00 C ATOM 976 O GLU A 60 -4.724 -4.437 -6.103 1.00 0.00 O ATOM 977 CB GLU A 60 -5.113 -7.416 -5.314 1.00 0.00 C ATOM 978 CG GLU A 60 -5.387 -8.691 -4.504 1.00 0.00 C ATOM 979 CD GLU A 60 -4.123 -9.458 -4.119 1.00 0.00 C ATOM 980 OE1 GLU A 60 -3.272 -9.637 -5.018 1.00 0.00 O ATOM 981 OE2 GLU A 60 -4.032 -9.870 -2.942 1.00 0.00 O ATOM 0 H GLU A 60 -6.748 -5.415 -6.341 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.858 -6.262 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.517 -7.549 -6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.035 -7.296 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.930 -8.425 -3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.037 -9.347 -5.084 1.00 0.00 H new ATOM 988 N TYR A 61 -3.891 -4.657 -4.020 1.00 0.00 N ATOM 989 CA TYR A 61 -2.818 -3.693 -4.184 1.00 0.00 C ATOM 990 C TYR A 61 -1.522 -4.452 -3.942 1.00 0.00 C ATOM 991 O TYR A 61 -1.306 -4.943 -2.831 1.00 0.00 O ATOM 992 CB TYR A 61 -3.011 -2.532 -3.204 1.00 0.00 C ATOM 993 CG TYR A 61 -4.327 -1.792 -3.373 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.488 -0.836 -4.395 1.00 0.00 C ATOM 995 CD2 TYR A 61 -5.404 -2.068 -2.512 1.00 0.00 C ATOM 996 CE1 TYR A 61 -5.720 -0.174 -4.552 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.649 -1.456 -2.718 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.816 -0.523 -3.748 1.00 0.00 C ATOM 999 OH TYR A 61 -8.050 0.004 -3.992 1.00 0.00 O ATOM 0 H TYR A 61 -3.941 -5.060 -3.084 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.804 -3.251 -5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.950 -2.916 -2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.190 -1.825 -3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.666 -0.611 -5.058 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.272 -2.754 -1.689 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.822 0.605 -5.293 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.483 -1.706 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.737 -0.577 -3.603 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.704 -4.595 -4.988 1.00 0.00 N ATOM 1010 CA GLN A 62 0.561 -5.299 -4.929 1.00 0.00 C ATOM 1011 C GLN A 62 1.628 -4.272 -4.580 1.00 0.00 C ATOM 1012 O GLN A 62 1.977 -3.427 -5.408 1.00 0.00 O ATOM 1013 CB GLN A 62 0.823 -5.985 -6.268 1.00 0.00 C ATOM 1014 CG GLN A 62 2.057 -6.897 -6.241 1.00 0.00 C ATOM 1015 CD GLN A 62 3.345 -6.124 -6.492 1.00 0.00 C ATOM 1016 OE1 GLN A 62 3.602 -5.755 -7.744 1.00 0.00 O flip ATOM 1017 NE2 GLN A 62 4.102 -5.866 -5.567 1.00 0.00 N flip ATOM 0 H GLN A 62 -0.914 -4.215 -5.911 1.00 0.00 H new ATOM 0 HA GLN A 62 0.561 -6.083 -4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.051 -6.573 -6.546 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.955 -5.226 -7.039 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.117 -7.397 -5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.949 -7.676 -6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.871 -6.166 -4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.965 -5.351 -5.743 1.00 0.00 H new ATOM 1026 N LEU A 63 2.101 -4.338 -3.339 1.00 0.00 N ATOM 1027 CA LEU A 63 3.087 -3.442 -2.773 1.00 0.00 C ATOM 1028 C LEU A 63 4.367 -4.237 -2.513 1.00 0.00 C ATOM 1029 O LEU A 63 4.340 -5.464 -2.413 1.00 0.00 O ATOM 1030 CB LEU A 63 2.547 -2.842 -1.467 1.00 0.00 C ATOM 1031 CG LEU A 63 1.154 -2.196 -1.607 1.00 0.00 C ATOM 1032 CD1 LEU A 63 0.418 -2.302 -0.272 1.00 0.00 C ATOM 1033 CD2 LEU A 63 1.244 -0.728 -2.037 1.00 0.00 C ATOM 0 H LEU A 63 1.790 -5.050 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 63 3.301 -2.624 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.499 -3.626 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.250 -2.092 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 63 0.608 -2.730 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.568 -1.847 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.310 -3.352 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.987 -1.783 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.240 -0.312 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.807 -0.165 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.749 -0.661 -3.001 1.00 0.00 H new ATOM 1045 N TYR A 64 5.489 -3.528 -2.396 1.00 0.00 N ATOM 1046 CA TYR A 64 6.809 -4.122 -2.323 1.00 0.00 C ATOM 1047 C TYR A 64 7.634 -3.398 -1.252 1.00 0.00 C ATOM 1048 O TYR A 64 8.320 -2.411 -1.535 1.00 0.00 O ATOM 1049 CB TYR A 64 7.418 -4.020 -3.728 1.00 0.00 C ATOM 1050 CG TYR A 64 7.274 -5.250 -4.609 1.00 0.00 C ATOM 1051 CD1 TYR A 64 7.655 -6.510 -4.111 1.00 0.00 C ATOM 1052 CD2 TYR A 64 6.972 -5.114 -5.978 1.00 0.00 C ATOM 1053 CE1 TYR A 64 7.727 -7.623 -4.961 1.00 0.00 C ATOM 1054 CE2 TYR A 64 7.005 -6.239 -6.823 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.363 -7.496 -6.309 1.00 0.00 C ATOM 1056 OH TYR A 64 7.377 -8.588 -7.126 1.00 0.00 O ATOM 0 H TYR A 64 5.499 -2.509 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 64 6.782 -5.171 -2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.959 -3.175 -4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.479 -3.793 -3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.894 -6.621 -3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.715 -4.145 -6.380 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.062 -8.576 -4.578 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.755 -6.135 -7.868 1.00 0.00 H new ATOM 0 HH TYR A 64 7.097 -8.326 -8.028 1.00 0.00 H new ATOM 1066 N VAL A 65 7.539 -3.870 -0.005 1.00 0.00 N ATOM 1067 CA VAL A 65 8.152 -3.198 1.133 1.00 0.00 C ATOM 1068 C VAL A 65 9.599 -3.678 1.272 1.00 0.00 C ATOM 1069 O VAL A 65 9.868 -4.880 1.255 1.00 0.00 O ATOM 1070 CB VAL A 65 7.319 -3.385 2.411 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.942 -2.573 3.556 1.00 0.00 C ATOM 1072 CG2 VAL A 65 5.882 -2.886 2.196 1.00 0.00 C ATOM 0 H VAL A 65 7.037 -4.724 0.238 1.00 0.00 H new ATOM 0 HA VAL A 65 8.173 -2.121 0.963 1.00 0.00 H new ATOM 0 HB VAL A 65 7.306 -4.447 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.350 -2.707 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.961 -2.918 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.958 -1.517 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.307 -3.026 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.899 -1.827 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.418 -3.450 1.386 1.00 0.00 H new ATOM 1082 N TYR A 66 10.541 -2.740 1.386 1.00 0.00 N ATOM 1083 CA TYR A 66 11.965 -3.027 1.349 1.00 0.00 C ATOM 1084 C TYR A 66 12.486 -3.199 2.774 1.00 0.00 C ATOM 1085 O TYR A 66 13.291 -2.403 3.258 1.00 0.00 O ATOM 1086 CB TYR A 66 12.683 -1.907 0.583 1.00 0.00 C ATOM 1087 CG TYR A 66 14.036 -2.297 0.025 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.155 -3.461 -0.751 1.00 0.00 C ATOM 1089 CD2 TYR A 66 15.169 -1.495 0.251 1.00 0.00 C ATOM 1090 CE1 TYR A 66 15.412 -3.902 -1.189 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.413 -1.882 -0.277 1.00 0.00 C ATOM 1092 CZ TYR A 66 16.546 -3.108 -0.950 1.00 0.00 C ATOM 1093 OH TYR A 66 17.767 -3.509 -1.401 1.00 0.00 O ATOM 0 H TYR A 66 10.328 -1.750 1.508 1.00 0.00 H new ATOM 0 HA TYR A 66 12.161 -3.961 0.822 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.046 -1.579 -0.238 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.811 -1.053 1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.270 -4.022 -1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 66 15.084 -0.586 0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.508 -4.845 -1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.270 -1.234 -0.165 1.00 0.00 H new ATOM 0 HH TYR A 66 18.438 -3.365 -0.701 1.00 0.00 H new ATOM 1103 N ALA A 67 11.989 -4.217 3.477 1.00 0.00 N ATOM 1104 CA ALA A 67 12.216 -4.342 4.908 1.00 0.00 C ATOM 1105 C ALA A 67 13.477 -5.156 5.170 1.00 0.00 C ATOM 1106 O ALA A 67 13.764 -6.082 4.421 1.00 0.00 O ATOM 1107 CB ALA A 67 10.986 -4.876 5.640 1.00 0.00 C ATOM 0 H ALA A 67 11.426 -4.966 3.073 1.00 0.00 H new ATOM 0 HA ALA A 67 12.382 -3.348 5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.202 -4.953 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.148 -4.196 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.729 -5.861 5.250 1.00 0.00 H new ATOM 1113 N SER A 68 14.271 -4.800 6.184 1.00 0.00 N ATOM 1114 CA SER A 68 15.600 -5.369 6.394 1.00 0.00 C ATOM 1115 C SER A 68 16.443 -5.403 5.108 1.00 0.00 C ATOM 1116 O SER A 68 17.273 -6.295 4.950 1.00 0.00 O ATOM 1117 CB SER A 68 15.516 -6.744 7.075 1.00 0.00 C ATOM 1118 OG SER A 68 16.796 -7.261 7.377 1.00 0.00 O ATOM 0 H SER A 68 14.007 -4.106 6.883 1.00 0.00 H new ATOM 0 HA SER A 68 16.128 -4.701 7.074 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.933 -6.660 7.992 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.988 -7.440 6.424 1.00 0.00 H new ATOM 0 HG SER A 68 17.401 -7.098 6.623 1.00 0.00 H new ATOM 1124 N ASP A 69 16.235 -4.445 4.196 1.00 0.00 N ATOM 1125 CA ASP A 69 16.914 -4.380 2.906 1.00 0.00 C ATOM 1126 C ASP A 69 16.630 -5.621 2.035 1.00 0.00 C ATOM 1127 O ASP A 69 17.389 -5.916 1.116 1.00 0.00 O ATOM 1128 CB ASP A 69 18.414 -4.121 3.143 1.00 0.00 C ATOM 1129 CG ASP A 69 19.187 -3.772 1.876 1.00 0.00 C ATOM 1130 OD1 ASP A 69 18.925 -2.671 1.346 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.056 -4.581 1.487 1.00 0.00 O ATOM 0 H ASP A 69 15.576 -3.680 4.342 1.00 0.00 H new ATOM 0 HA ASP A 69 16.517 -3.546 2.327 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.524 -3.307 3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.859 -5.007 3.596 1.00 0.00 H new ATOM 1136 N LYS A 70 15.519 -6.327 2.285 1.00 0.00 N ATOM 1137 CA LYS A 70 15.016 -7.403 1.443 1.00 0.00 C ATOM 1138 C LYS A 70 13.733 -6.903 0.795 1.00 0.00 C ATOM 1139 O LYS A 70 12.999 -6.106 1.378 1.00 0.00 O ATOM 1140 CB LYS A 70 14.696 -8.671 2.250 1.00 0.00 C ATOM 1141 CG LYS A 70 15.896 -9.571 2.567 1.00 0.00 C ATOM 1142 CD LYS A 70 16.779 -8.995 3.677 1.00 0.00 C ATOM 1143 CE LYS A 70 17.702 -10.056 4.288 1.00 0.00 C ATOM 1144 NZ LYS A 70 16.949 -11.067 5.054 1.00 0.00 N ATOM 0 H LYS A 70 14.934 -6.155 3.103 1.00 0.00 H new ATOM 0 HA LYS A 70 15.779 -7.665 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.228 -8.375 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.961 -9.256 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.539 -10.557 2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.493 -9.707 1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.381 -8.180 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.148 -8.571 4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.265 -10.547 3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.428 -9.572 4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.597 -11.574 5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.210 -10.598 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.509 -11.743 4.398 1.00 0.00 H new ATOM 1158 N LEU A 71 13.462 -7.388 -0.414 1.00 0.00 N ATOM 1159 CA LEU A 71 12.296 -7.019 -1.187 1.00 0.00 C ATOM 1160 C LEU A 71 11.157 -7.926 -0.694 1.00 0.00 C ATOM 1161 O LEU A 71 10.974 -9.037 -1.183 1.00 0.00 O ATOM 1162 CB LEU A 71 12.691 -7.153 -2.676 1.00 0.00 C ATOM 1163 CG LEU A 71 12.130 -6.082 -3.624 1.00 0.00 C ATOM 1164 CD1 LEU A 71 13.019 -5.962 -4.866 1.00 0.00 C ATOM 1165 CD2 LEU A 71 10.717 -6.461 -4.036 1.00 0.00 C ATOM 0 H LEU A 71 14.064 -8.062 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 71 11.944 -5.994 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.779 -7.136 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.364 -8.130 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 71 12.113 -5.121 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.613 -5.200 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.028 -5.681 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.049 -6.920 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.318 -5.702 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.733 -7.425 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.086 -6.529 -3.150 1.00 0.00 H new ATOM 1177 N PHE A 72 10.418 -7.507 0.336 1.00 0.00 N ATOM 1178 CA PHE A 72 9.306 -8.287 0.857 1.00 0.00 C ATOM 1179 C PHE A 72 8.061 -7.920 0.048 1.00 0.00 C ATOM 1180 O PHE A 72 7.593 -6.780 0.120 1.00 0.00 O ATOM 1181 CB PHE A 72 9.126 -8.002 2.356 1.00 0.00 C ATOM 1182 CG PHE A 72 10.105 -8.710 3.279 1.00 0.00 C ATOM 1183 CD1 PHE A 72 9.928 -10.066 3.609 1.00 0.00 C ATOM 1184 CD2 PHE A 72 11.118 -7.976 3.912 1.00 0.00 C ATOM 1185 CE1 PHE A 72 10.774 -10.678 4.552 1.00 0.00 C ATOM 1186 CE2 PHE A 72 11.964 -8.577 4.865 1.00 0.00 C ATOM 1187 CZ PHE A 72 11.796 -9.937 5.175 1.00 0.00 C ATOM 0 H PHE A 72 10.576 -6.626 0.824 1.00 0.00 H new ATOM 0 HA PHE A 72 9.492 -9.357 0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.214 -6.928 2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.113 -8.285 2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.142 -10.638 3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.252 -6.933 3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.639 -11.721 4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.734 -7.998 5.353 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.450 -10.413 5.890 1.00 0.00 H new ATOM 1197 N ARG A 73 7.516 -8.869 -0.726 1.00 0.00 N ATOM 1198 CA ARG A 73 6.260 -8.649 -1.415 1.00 0.00 C ATOM 1199 C ARG A 73 5.179 -8.423 -0.366 1.00 0.00 C ATOM 1200 O ARG A 73 5.240 -8.990 0.725 1.00 0.00 O ATOM 1201 CB ARG A 73 5.903 -9.847 -2.307 1.00 0.00 C ATOM 1202 CG ARG A 73 5.036 -9.411 -3.497 1.00 0.00 C ATOM 1203 CD ARG A 73 4.095 -10.517 -3.975 1.00 0.00 C ATOM 1204 NE ARG A 73 3.570 -10.192 -5.308 1.00 0.00 N ATOM 1205 CZ ARG A 73 2.509 -10.768 -5.890 1.00 0.00 C ATOM 1206 NH1 ARG A 73 1.746 -11.636 -5.215 1.00 0.00 N ATOM 1207 NH2 ARG A 73 2.225 -10.473 -7.163 1.00 0.00 N ATOM 0 H ARG A 73 7.931 -9.787 -0.883 1.00 0.00 H new ATOM 0 HA ARG A 73 6.344 -7.777 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.816 -10.318 -2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.371 -10.596 -1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.449 -8.537 -3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.682 -9.108 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.626 -11.468 -4.007 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.272 -10.635 -3.270 1.00 0.00 H new ATOM 0 HE ARG A 73 4.054 -9.466 -5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.969 -11.866 -4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.941 -12.068 -5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.813 -9.817 -7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.421 -10.904 -7.619 1.00 0.00 H new ATOM 1221 N ALA A 74 4.178 -7.611 -0.681 1.00 0.00 N ATOM 1222 CA ALA A 74 3.039 -7.433 0.186 1.00 0.00 C ATOM 1223 C ALA A 74 1.819 -7.102 -0.671 1.00 0.00 C ATOM 1224 O ALA A 74 1.658 -5.972 -1.119 1.00 0.00 O ATOM 1225 CB ALA A 74 3.348 -6.371 1.232 1.00 0.00 C ATOM 0 H ALA A 74 4.140 -7.064 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 74 2.815 -8.347 0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.484 -6.241 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.207 -6.684 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.574 -5.427 0.736 1.00 0.00 H new ATOM 1231 N ASP A 75 0.973 -8.101 -0.915 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.216 -7.974 -1.738 1.00 0.00 C ATOM 1233 C ASP A 75 -1.408 -7.925 -0.796 1.00 0.00 C ATOM 1234 O ASP A 75 -1.678 -8.912 -0.125 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.302 -9.134 -2.745 1.00 0.00 C ATOM 1236 CG ASP A 75 -0.238 -10.527 -2.113 1.00 0.00 C ATOM 1237 OD1 ASP A 75 0.814 -10.829 -1.504 1.00 0.00 O ATOM 1238 OD2 ASP A 75 -1.220 -11.280 -2.286 1.00 0.00 O ATOM 0 H ASP A 75 1.103 -9.039 -0.536 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.192 -7.063 -2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.233 -9.045 -3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.512 -9.037 -3.463 1.00 0.00 H new ATOM 1243 N ILE A 76 -2.091 -6.785 -0.693 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.343 -6.727 0.059 1.00 0.00 C ATOM 1245 C ILE A 76 -4.469 -7.167 -0.866 1.00 0.00 C ATOM 1246 O ILE A 76 -4.331 -7.023 -2.080 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.585 -5.308 0.622 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -3.813 -5.342 2.138 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -4.797 -4.610 0.001 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -2.538 -5.724 2.880 1.00 0.00 C ATOM 0 H ILE A 76 -1.804 -5.902 -1.114 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.298 -7.395 0.919 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.683 -4.751 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.156 -4.365 2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.602 -6.057 2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.910 -3.619 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.651 -4.516 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.694 -5.198 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.732 -5.739 3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.211 -6.712 2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.758 -4.994 2.663 1.00 0.00 H new ATOM 1262 N SER A 77 -5.591 -7.597 -0.278 1.00 0.00 N ATOM 1263 CA SER A 77 -6.846 -7.823 -0.979 1.00 0.00 C ATOM 1264 C SER A 77 -7.938 -6.966 -0.366 1.00 0.00 C ATOM 1265 O SER A 77 -7.898 -6.680 0.830 1.00 0.00 O ATOM 1266 CB SER A 77 -7.242 -9.309 -0.916 1.00 0.00 C ATOM 1267 OG SER A 77 -7.160 -9.934 -2.180 1.00 0.00 O ATOM 0 H SER A 77 -5.646 -7.800 0.720 1.00 0.00 H new ATOM 0 HA SER A 77 -6.717 -7.546 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.591 -9.828 -0.212 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.259 -9.397 -0.534 1.00 0.00 H new ATOM 0 HG SER A 77 -7.418 -10.876 -2.097 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.911 -6.584 -1.193 1.00 0.00 N ATOM 1274 CA GLU A 78 -10.132 -5.936 -0.786 1.00 0.00 C ATOM 1275 C GLU A 78 -11.296 -6.917 -0.865 1.00 0.00 C ATOM 1276 O GLU A 78 -11.236 -7.931 -1.556 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.415 -4.711 -1.666 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.481 -3.551 -1.315 1.00 0.00 C ATOM 1279 CD GLU A 78 -10.149 -2.214 -1.621 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -10.946 -1.787 -0.758 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.865 -1.647 -2.699 1.00 0.00 O ATOM 0 H GLU A 78 -8.856 -6.729 -2.201 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.018 -5.601 0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.290 -4.977 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.451 -4.399 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.215 -3.598 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.554 -3.639 -1.882 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.371 -6.564 -0.171 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.661 -7.221 -0.232 1.00 0.00 C ATOM 1290 C ASP A 79 -14.564 -6.426 -1.171 1.00 0.00 C ATOM 1291 O ASP A 79 -15.089 -5.391 -0.754 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.257 -7.270 1.180 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.666 -7.856 1.206 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -16.051 -8.493 0.200 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.343 -7.635 2.233 1.00 0.00 O ATOM 0 H ASP A 79 -12.362 -5.776 0.477 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.564 -8.240 -0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.609 -7.865 1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.279 -6.262 1.595 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.767 -6.925 -2.398 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.679 -6.349 -3.388 1.00 0.00 C ATOM 1302 C TYR A 80 -17.022 -5.896 -2.802 1.00 0.00 C ATOM 1303 O TYR A 80 -17.609 -4.945 -3.308 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.940 -7.366 -4.513 1.00 0.00 C ATOM 1305 CG TYR A 80 -16.484 -6.805 -5.816 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -15.779 -5.794 -6.497 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.574 -7.435 -6.448 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -16.191 -5.381 -7.776 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -17.975 -7.034 -7.734 1.00 0.00 C ATOM 1310 CZ TYR A 80 -17.284 -6.006 -8.397 1.00 0.00 C ATOM 1311 OH TYR A 80 -17.645 -5.635 -9.658 1.00 0.00 O ATOM 0 H TYR A 80 -14.289 -7.761 -2.735 1.00 0.00 H new ATOM 0 HA TYR A 80 -15.183 -5.458 -3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -15.006 -7.885 -4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.642 -8.113 -4.143 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -14.918 -5.334 -6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.103 -8.229 -5.942 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -15.667 -4.583 -8.281 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -18.815 -7.516 -8.213 1.00 0.00 H new ATOM 0 HH TYR A 80 -18.419 -6.163 -9.945 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.526 -6.587 -1.769 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.825 -6.284 -1.189 1.00 0.00 C ATOM 1323 C LYS A 81 -18.900 -4.825 -0.727 1.00 0.00 C ATOM 1324 O LYS A 81 -19.868 -4.157 -1.086 1.00 0.00 O ATOM 1325 CB LYS A 81 -19.172 -7.315 -0.107 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.441 -6.993 0.695 1.00 0.00 C ATOM 1327 CD LYS A 81 -20.055 -6.353 2.034 1.00 0.00 C ATOM 1328 CE LYS A 81 -21.288 -5.998 2.869 1.00 0.00 C ATOM 1329 NZ LYS A 81 -20.894 -5.439 4.173 1.00 0.00 N ATOM 0 H LYS A 81 -17.042 -7.365 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.599 -6.374 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -19.293 -8.291 -0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.332 -7.396 0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -21.080 -6.316 0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -21.015 -7.903 0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -19.421 -7.039 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -19.468 -5.453 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -21.902 -5.277 2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -21.899 -6.888 3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -21.746 -5.206 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -20.327 -6.139 4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -20.330 -4.578 4.025 1.00 0.00 H new ATOM 1343 N THR A 82 -17.918 -4.320 0.042 1.00 0.00 N ATOM 1344 CA THR A 82 -17.891 -2.898 0.349 1.00 0.00 C ATOM 1345 C THR A 82 -16.597 -2.273 -0.175 1.00 0.00 C ATOM 1346 O THR A 82 -16.634 -1.492 -1.118 1.00 0.00 O ATOM 1347 CB THR A 82 -18.110 -2.720 1.858 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.468 -2.976 2.160 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.766 -1.308 2.308 1.00 0.00 C ATOM 0 H THR A 82 -17.158 -4.866 0.447 1.00 0.00 H new ATOM 0 HA THR A 82 -18.697 -2.365 -0.156 1.00 0.00 H new ATOM 0 HB THR A 82 -17.456 -3.418 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.615 -2.866 3.123 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.933 -1.217 3.381 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.720 -1.100 2.084 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.399 -0.594 1.781 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.491 -2.599 0.498 1.00 0.00 N ATOM 1358 CA ARG A 83 -14.123 -2.078 0.403 1.00 0.00 C ATOM 1359 C ARG A 83 -13.465 -2.328 1.768 1.00 0.00 C ATOM 1360 O ARG A 83 -12.796 -1.473 2.342 1.00 0.00 O ATOM 1361 CB ARG A 83 -14.056 -0.606 -0.049 1.00 0.00 C ATOM 1362 CG ARG A 83 -13.910 -0.492 -1.577 1.00 0.00 C ATOM 1363 CD ARG A 83 -14.439 0.837 -2.134 1.00 0.00 C ATOM 1364 NE ARG A 83 -15.134 0.630 -3.411 1.00 0.00 N ATOM 1365 CZ ARG A 83 -14.565 0.260 -4.565 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -13.235 0.175 -4.670 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -15.346 -0.033 -5.611 1.00 0.00 N ATOM 0 H ARG A 83 -15.539 -3.326 1.212 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.575 -2.598 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.958 -0.084 0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.213 -0.113 0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.859 -0.599 -1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.445 -1.316 -2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.120 1.292 -1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.611 1.532 -2.274 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.143 0.782 -3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.645 0.393 -3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.810 -0.108 -5.553 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.360 0.027 -5.523 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.927 -0.316 -6.497 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.694 -3.532 2.305 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.981 -4.025 3.467 1.00 0.00 C ATOM 1383 C GLY A 84 -11.612 -4.487 2.984 1.00 0.00 C ATOM 1384 O GLY A 84 -11.486 -4.833 1.816 1.00 0.00 O ATOM 0 H GLY A 84 -14.384 -4.187 1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.881 -3.243 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.524 -4.848 3.933 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.605 -4.491 3.853 1.00 0.00 N ATOM 1389 CA ARG A 85 -9.214 -4.783 3.523 1.00 0.00 C ATOM 1390 C ARG A 85 -8.759 -6.023 4.295 1.00 0.00 C ATOM 1391 O ARG A 85 -8.948 -6.077 5.509 1.00 0.00 O ATOM 1392 CB ARG A 85 -8.307 -3.571 3.826 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.996 -2.330 4.420 1.00 0.00 C ATOM 1394 CD ARG A 85 -9.530 -2.539 5.848 1.00 0.00 C ATOM 1395 NE ARG A 85 -10.964 -2.221 5.935 1.00 0.00 N ATOM 1396 CZ ARG A 85 -11.711 -2.344 7.041 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -11.181 -2.833 8.168 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -12.993 -1.968 7.012 1.00 0.00 N ATOM 0 H ARG A 85 -10.741 -4.283 4.842 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.135 -4.984 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.528 -3.892 4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.811 -3.276 2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.289 -1.501 4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.823 -2.040 3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.366 -3.573 6.152 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.973 -1.910 6.542 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.424 -1.882 5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.201 -3.116 8.190 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.757 -2.923 9.005 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.395 -1.591 6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.570 -2.058 7.848 1.00 0.00 H new ATOM 1412 N LYS A 86 -8.168 -7.004 3.602 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.698 -8.262 4.170 1.00 0.00 C ATOM 1414 C LYS A 86 -6.187 -8.422 4.008 1.00 0.00 C ATOM 1415 O LYS A 86 -5.623 -8.167 2.943 1.00 0.00 O ATOM 1416 CB LYS A 86 -8.447 -9.445 3.542 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.726 -9.815 4.308 1.00 0.00 C ATOM 1418 CD LYS A 86 -9.409 -10.339 5.721 1.00 0.00 C ATOM 1419 CE LYS A 86 -9.658 -9.298 6.827 1.00 0.00 C ATOM 1420 NZ LYS A 86 -10.929 -9.559 7.528 1.00 0.00 N ATOM 0 H LYS A 86 -8.001 -6.936 2.598 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.909 -8.247 5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.704 -9.200 2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.786 -10.311 3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.373 -8.941 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.277 -10.574 3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.018 -11.221 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.367 -10.656 5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.835 -9.318 7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.678 -8.299 6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.071 -8.842 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.715 -9.516 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.898 -10.503 7.962 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.547 -8.863 5.095 1.00 0.00 N ATOM 1435 CA LEU A 87 -4.110 -9.014 5.211 1.00 0.00 C ATOM 1436 C LEU A 87 -3.665 -10.235 4.399 1.00 0.00 C ATOM 1437 O LEU A 87 -3.688 -11.356 4.899 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.795 -9.161 6.713 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.327 -8.964 7.126 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -2.253 -9.019 8.656 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -1.376 -10.029 6.565 1.00 0.00 C ATOM 0 H LEU A 87 -6.042 -9.132 5.945 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.569 -8.155 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.404 -8.442 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.109 -10.155 7.032 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.007 -8.005 6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.220 -8.882 8.975 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.872 -8.228 9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.614 -9.987 9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.360 -9.822 6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.682 -11.013 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.410 -10.010 5.476 1.00 0.00 H new ATOM 1453 N LEU A 88 -3.202 -9.992 3.171 1.00 0.00 N ATOM 1454 CA LEU A 88 -2.521 -10.973 2.325 1.00 0.00 C ATOM 1455 C LEU A 88 -1.033 -10.592 2.142 1.00 0.00 C ATOM 1456 O LEU A 88 -0.260 -11.345 1.550 1.00 0.00 O ATOM 1457 CB LEU A 88 -3.271 -11.112 0.987 1.00 0.00 C ATOM 1458 CG LEU A 88 -4.494 -12.047 0.969 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -4.114 -13.513 1.204 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -5.606 -11.631 1.939 1.00 0.00 C ATOM 0 H LEU A 88 -3.294 -9.079 2.725 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.532 -11.950 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.598 -10.120 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.563 -11.464 0.236 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.895 -11.948 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.012 -14.130 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.429 -13.841 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.630 -13.612 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.433 -12.338 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.218 -11.627 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.959 -10.633 1.681 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.631 -9.424 2.664 1.00 0.00 N ATOM 1473 CA ARG A 89 0.731 -8.920 2.670 1.00 0.00 C ATOM 1474 C ARG A 89 1.763 -9.877 3.279 1.00 0.00 C ATOM 1475 O ARG A 89 1.424 -10.831 3.971 1.00 0.00 O ATOM 1476 CB ARG A 89 0.809 -7.549 3.371 1.00 0.00 C ATOM 1477 CG ARG A 89 0.115 -7.488 4.732 1.00 0.00 C ATOM 1478 CD ARG A 89 0.414 -6.157 5.427 1.00 0.00 C ATOM 1479 NE ARG A 89 -0.051 -4.984 4.659 1.00 0.00 N ATOM 1480 CZ ARG A 89 0.670 -4.243 3.804 1.00 0.00 C ATOM 1481 NH1 ARG A 89 1.947 -4.531 3.540 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.102 -3.191 3.209 1.00 0.00 N ATOM 0 H ARG A 89 -1.285 -8.782 3.112 1.00 0.00 H new ATOM 0 HA ARG A 89 0.997 -8.818 1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.858 -7.281 3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.366 -6.797 2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.961 -7.604 4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.453 -8.315 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.060 -6.152 6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.488 -6.073 5.591 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.024 -4.708 4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.394 -5.329 3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.475 -3.953 2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.871 -2.957 3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.641 -2.621 2.557 1.00 0.00 H new ATOM 1496 N PHE A 90 3.041 -9.528 3.072 1.00 0.00 N ATOM 1497 CA PHE A 90 4.226 -10.216 3.570 1.00 0.00 C ATOM 1498 C PHE A 90 4.378 -11.571 2.867 1.00 0.00 C ATOM 1499 O PHE A 90 3.940 -12.603 3.366 1.00 0.00 O ATOM 1500 CB PHE A 90 4.217 -10.275 5.108 1.00 0.00 C ATOM 1501 CG PHE A 90 5.395 -9.605 5.806 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.619 -10.284 5.962 1.00 0.00 C ATOM 1503 CD2 PHE A 90 5.214 -8.368 6.448 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.638 -9.740 6.770 1.00 0.00 C ATOM 1505 CE2 PHE A 90 6.186 -7.890 7.354 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.417 -8.558 7.501 1.00 0.00 C ATOM 0 H PHE A 90 3.282 -8.707 2.518 1.00 0.00 H new ATOM 0 HA PHE A 90 5.126 -9.654 3.321 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.297 -9.812 5.465 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.186 -11.321 5.412 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.778 -11.227 5.460 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.329 -7.782 6.248 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.596 -10.235 6.829 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.984 -7.005 7.939 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.177 -8.170 8.163 1.00 0.00 H new ATOM 1516 N ASN A 91 4.998 -11.556 1.684 1.00 0.00 N ATOM 1517 CA ASN A 91 5.166 -12.705 0.807 1.00 0.00 C ATOM 1518 C ASN A 91 6.563 -12.683 0.186 1.00 0.00 C ATOM 1519 O ASN A 91 7.237 -11.650 0.176 1.00 0.00 O ATOM 1520 CB ASN A 91 4.077 -12.696 -0.282 1.00 0.00 C ATOM 1521 CG ASN A 91 3.154 -13.901 -0.162 1.00 0.00 C ATOM 1522 OD1 ASN A 91 3.602 -15.029 -0.334 1.00 0.00 O ATOM 1523 ND2 ASN A 91 1.871 -13.686 0.119 1.00 0.00 N ATOM 0 H ASN A 91 5.411 -10.706 1.301 1.00 0.00 H new ATOM 0 HA ASN A 91 5.063 -13.623 1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.492 -11.780 -0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.546 -12.693 -1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.227 -14.473 0.197 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.532 -12.734 0.256 1.00 0.00 H new ATOM 1530 N GLY A 92 6.989 -13.835 -0.338 1.00 0.00 N ATOM 1531 CA GLY A 92 8.331 -14.051 -0.857 1.00 0.00 C ATOM 1532 C GLY A 92 9.175 -14.748 0.216 1.00 0.00 C ATOM 1533 O GLY A 92 8.812 -15.855 0.611 1.00 0.00 O ATOM 0 H GLY A 92 6.392 -14.659 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.292 -14.660 -1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.785 -13.100 -1.134 1.00 0.00 H new ATOM 1537 N PRO A 93 10.265 -14.147 0.724 1.00 0.00 N ATOM 1538 CA PRO A 93 10.806 -12.850 0.341 1.00 0.00 C ATOM 1539 C PRO A 93 11.378 -12.904 -1.077 1.00 0.00 C ATOM 1540 O PRO A 93 11.672 -13.982 -1.590 1.00 0.00 O ATOM 1541 CB PRO A 93 11.908 -12.560 1.364 1.00 0.00 C ATOM 1542 CG PRO A 93 12.402 -13.954 1.751 1.00 0.00 C ATOM 1543 CD PRO A 93 11.119 -14.784 1.713 1.00 0.00 C ATOM 0 HA PRO A 93 10.043 -12.072 0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.706 -11.955 0.935 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.524 -12.015 2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.148 -14.329 1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.861 -13.962 2.740 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.330 -15.818 1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.637 -14.805 2.691 1.00 0.00 H new ATOM 1551 N VAL A 94 11.523 -11.739 -1.710 1.00 0.00 N ATOM 1552 CA VAL A 94 12.098 -11.598 -3.037 1.00 0.00 C ATOM 1553 C VAL A 94 13.507 -11.006 -2.865 1.00 0.00 C ATOM 1554 O VAL A 94 13.674 -10.028 -2.131 1.00 0.00 O ATOM 1555 CB VAL A 94 11.141 -10.739 -3.894 1.00 0.00 C ATOM 1556 CG1 VAL A 94 11.751 -10.252 -5.205 1.00 0.00 C ATOM 1557 CG2 VAL A 94 9.855 -11.517 -4.194 1.00 0.00 C ATOM 0 H VAL A 94 11.236 -10.850 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 94 12.209 -12.545 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 94 10.927 -9.852 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.017 -9.657 -5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.629 -9.641 -4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.043 -11.110 -5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.189 -10.901 -4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.100 -12.429 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.360 -11.776 -3.258 1.00 0.00 H new ATOM 1567 N PRO A 95 14.548 -11.592 -3.480 1.00 0.00 N ATOM 1568 CA PRO A 95 15.885 -11.026 -3.425 1.00 0.00 C ATOM 1569 C PRO A 95 15.933 -9.777 -4.314 1.00 0.00 C ATOM 1570 O PRO A 95 15.180 -9.694 -5.284 1.00 0.00 O ATOM 1571 CB PRO A 95 16.810 -12.133 -3.937 1.00 0.00 C ATOM 1572 CG PRO A 95 15.922 -12.902 -4.914 1.00 0.00 C ATOM 1573 CD PRO A 95 14.532 -12.806 -4.282 1.00 0.00 C ATOM 0 HA PRO A 95 16.184 -10.712 -2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.693 -11.725 -4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.163 -12.770 -3.126 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.942 -12.458 -5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 95 16.244 -13.938 -5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.756 -12.760 -5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.321 -13.680 -3.666 1.00 0.00 H new ATOM 1581 N PRO A 96 16.796 -8.797 -4.013 1.00 0.00 N ATOM 1582 CA PRO A 96 16.905 -7.588 -4.811 1.00 0.00 C ATOM 1583 C PRO A 96 17.492 -7.922 -6.191 1.00 0.00 C ATOM 1584 O PRO A 96 18.611 -8.431 -6.256 1.00 0.00 O ATOM 1585 CB PRO A 96 17.818 -6.658 -4.005 1.00 0.00 C ATOM 1586 CG PRO A 96 18.685 -7.618 -3.188 1.00 0.00 C ATOM 1587 CD PRO A 96 17.738 -8.785 -2.906 1.00 0.00 C ATOM 0 HA PRO A 96 15.941 -7.115 -5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 96 18.423 -6.028 -4.657 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.243 -5.992 -3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.566 -7.939 -3.744 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.041 -7.156 -2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.283 -9.727 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.224 -8.652 -1.954 1.00 0.00 H new ATOM 1595 N PRO A 97 16.780 -7.661 -7.300 1.00 0.00 N ATOM 1596 CA PRO A 97 17.293 -7.935 -8.634 1.00 0.00 C ATOM 1597 C PRO A 97 18.373 -6.920 -9.018 1.00 0.00 C ATOM 1598 O PRO A 97 18.297 -5.773 -8.522 1.00 0.00 O ATOM 1599 CB PRO A 97 16.075 -7.851 -9.557 1.00 0.00 C ATOM 1600 CG PRO A 97 15.182 -6.825 -8.859 1.00 0.00 C ATOM 1601 CD PRO A 97 15.445 -7.088 -7.374 1.00 0.00 C ATOM 1602 OXT PRO A 97 19.249 -7.305 -9.823 1.00 0.00 O ATOM 0 HA PRO A 97 17.771 -8.912 -8.702 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.351 -7.528 -10.561 1.00 0.00 H new ATOM 0 HB3 PRO A 97 15.578 -8.816 -9.658 1.00 0.00 H new ATOM 0 HG2 PRO A 97 15.444 -5.805 -9.140 1.00 0.00 H new ATOM 0 HG3 PRO A 97 14.131 -6.966 -9.113 1.00 0.00 H new ATOM 0 HD2 PRO A 97 15.384 -6.165 -6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 97 14.703 -7.772 -6.961 1.00 0.00 H new TER 1610 PRO A 97