USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0286 K(o=-0.029,f=-2.1) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0291) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.247 F(o=-1.1,f=-0.25) USER MOD Single : A 30 TYR OH : rot 150:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0268 USER MOD Single : A 36 ASN :FLIP amide:sc= -4.1! C(o=-6.1!,f=-4.1!) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0168) USER MOD Single : A 42 CYS SG : rot 82:sc= 0.109 USER MOD Single : A 43 MET CE :methyl -178:sc= -0.0199 (180deg=-0.0343) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -108:sc= 0.571 (180deg=-0.0929) USER MOD Single : A 46 THR OG1 : rot 17:sc= 0.252 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 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 150:sc= 1.23 USER MOD Single : A 62 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -57:sc= 1.19 USER MOD Single : A 68 SER OG : rot -48:sc= 0.844 USER MOD Single : A 70 LYS NZ :NH3+ 146:sc=-0.000842 (180deg=-0.579) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0112 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.662 K(o=0.66,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 27 N GLU A 3 -8.111 -4.861 -15.531 1.00 0.00 N ATOM 28 CA GLU A 3 -6.785 -4.339 -15.808 1.00 0.00 C ATOM 29 C GLU A 3 -6.017 -4.105 -14.501 1.00 0.00 C ATOM 30 O GLU A 3 -6.458 -4.510 -13.425 1.00 0.00 O ATOM 31 CB GLU A 3 -6.901 -3.095 -16.705 1.00 0.00 C ATOM 32 CG GLU A 3 -7.590 -3.422 -18.040 1.00 0.00 C ATOM 33 CD GLU A 3 -8.001 -2.152 -18.775 1.00 0.00 C ATOM 34 OE1 GLU A 3 -9.101 -1.649 -18.459 1.00 0.00 O ATOM 35 OE2 GLU A 3 -7.211 -1.710 -19.638 1.00 0.00 O ATOM 0 HA GLU A 3 -6.194 -5.067 -16.364 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.465 -2.321 -16.184 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.907 -2.690 -16.897 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.916 -4.006 -18.667 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.469 -4.040 -17.857 1.00 0.00 H new ATOM 42 N TRP A 4 -4.838 -3.494 -14.618 1.00 0.00 N ATOM 43 CA TRP A 4 -4.056 -3.022 -13.487 1.00 0.00 C ATOM 44 C TRP A 4 -4.064 -1.499 -13.482 1.00 0.00 C ATOM 45 O TRP A 4 -4.182 -0.876 -14.536 1.00 0.00 O ATOM 46 CB TRP A 4 -2.609 -3.523 -13.541 1.00 0.00 C ATOM 47 CG TRP A 4 -2.381 -5.002 -13.471 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.810 -5.927 -14.357 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.638 -5.740 -12.457 1.00 0.00 C ATOM 50 NE1 TRP A 4 -2.404 -7.181 -13.951 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.675 -7.126 -12.780 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.948 -5.369 -11.286 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -1.052 -8.098 -11.982 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.308 -6.331 -10.484 1.00 0.00 C ATOM 55 CH2 TRP A 4 -0.359 -7.695 -10.829 1.00 0.00 C ATOM 0 H TRP A 4 -4.396 -3.312 -15.519 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.507 -3.414 -12.576 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -2.162 -3.158 -14.466 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -2.063 -3.060 -12.719 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.384 -5.717 -15.248 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.616 -8.043 -14.454 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.910 -4.328 -10.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -1.105 -9.143 -12.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.226 -6.021 -9.598 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.133 -8.429 -10.209 1.00 0.00 H new ATOM 66 N GLU A 5 -3.917 -0.910 -12.295 1.00 0.00 N ATOM 67 CA GLU A 5 -3.867 0.521 -12.067 1.00 0.00 C ATOM 68 C GLU A 5 -2.678 0.844 -11.162 1.00 0.00 C ATOM 69 O GLU A 5 -2.098 -0.040 -10.525 1.00 0.00 O ATOM 70 CB GLU A 5 -5.171 0.997 -11.414 1.00 0.00 C ATOM 71 CG GLU A 5 -6.366 1.107 -12.377 1.00 0.00 C ATOM 72 CD GLU A 5 -6.895 -0.231 -12.894 1.00 0.00 C ATOM 73 OE1 GLU A 5 -7.062 -1.143 -12.056 1.00 0.00 O ATOM 74 OE2 GLU A 5 -7.143 -0.308 -14.115 1.00 0.00 O ATOM 0 H GLU A 5 -3.826 -1.447 -11.433 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.749 1.037 -13.020 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.431 0.309 -10.610 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.999 1.971 -10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.176 1.631 -11.870 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.073 1.720 -13.229 1.00 0.00 H new ATOM 81 N ILE A 6 -2.341 2.134 -11.115 1.00 0.00 N ATOM 82 CA ILE A 6 -1.257 2.681 -10.321 1.00 0.00 C ATOM 83 C ILE A 6 -1.684 2.841 -8.861 1.00 0.00 C ATOM 84 O ILE A 6 -2.869 2.970 -8.555 1.00 0.00 O ATOM 85 CB ILE A 6 -0.741 4.004 -10.930 1.00 0.00 C ATOM 86 CG1 ILE A 6 -1.756 5.167 -10.898 1.00 0.00 C ATOM 87 CG2 ILE A 6 -0.292 3.768 -12.380 1.00 0.00 C ATOM 88 CD1 ILE A 6 -1.664 6.020 -9.627 1.00 0.00 C ATOM 0 H ILE A 6 -2.838 2.846 -11.651 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.424 1.978 -10.337 1.00 0.00 H new ATOM 0 HB ILE A 6 0.093 4.310 -10.299 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.594 5.805 -11.767 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.764 4.762 -10.983 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.071 4.704 -12.805 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.507 3.027 -12.397 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.135 3.405 -12.968 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.405 6.819 -9.670 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.855 5.395 -8.755 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.667 6.454 -9.551 1.00 0.00 H new ATOM 100 N ILE A 7 -0.694 2.839 -7.972 1.00 0.00 N ATOM 101 CA ILE A 7 -0.808 3.010 -6.535 1.00 0.00 C ATOM 102 C ILE A 7 0.264 4.024 -6.125 1.00 0.00 C ATOM 103 O ILE A 7 1.438 3.673 -6.033 1.00 0.00 O ATOM 104 CB ILE A 7 -0.651 1.628 -5.859 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.230 1.714 -4.382 1.00 0.00 C ATOM 106 CG2 ILE A 7 0.306 0.717 -6.620 1.00 0.00 C ATOM 107 CD1 ILE A 7 -0.098 0.353 -3.705 1.00 0.00 C ATOM 0 H ILE A 7 0.275 2.708 -8.262 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.778 3.395 -6.221 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.648 1.189 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.723 2.238 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.962 2.312 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.383 -0.241 -6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.070 0.557 -7.631 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.290 1.183 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.202 0.491 -2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.056 -0.166 -3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.655 -0.240 -4.224 1.00 0.00 H new ATOM 119 N ASP A 8 -0.125 5.287 -5.908 1.00 0.00 N ATOM 120 CA ASP A 8 0.785 6.351 -5.476 1.00 0.00 C ATOM 121 C ASP A 8 0.010 7.463 -4.762 1.00 0.00 C ATOM 122 O ASP A 8 0.246 8.640 -5.016 1.00 0.00 O ATOM 123 CB ASP A 8 1.546 6.943 -6.682 1.00 0.00 C ATOM 124 CG ASP A 8 2.502 5.971 -7.365 1.00 0.00 C ATOM 125 OD1 ASP A 8 3.627 5.820 -6.839 1.00 0.00 O ATOM 126 OD2 ASP A 8 2.097 5.412 -8.407 1.00 0.00 O ATOM 0 H ASP A 8 -1.088 5.600 -6.029 1.00 0.00 H new ATOM 0 HA ASP A 8 1.505 5.916 -4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.821 7.296 -7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.110 7.814 -6.348 1.00 0.00 H new ATOM 131 N ILE A 9 -0.937 7.100 -3.889 1.00 0.00 N ATOM 132 CA ILE A 9 -1.900 8.034 -3.312 1.00 0.00 C ATOM 133 C ILE A 9 -2.111 7.751 -1.816 1.00 0.00 C ATOM 134 O ILE A 9 -1.867 6.644 -1.338 1.00 0.00 O ATOM 135 CB ILE A 9 -3.225 7.944 -4.100 1.00 0.00 C ATOM 136 CG1 ILE A 9 -3.093 8.115 -5.627 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.283 8.917 -3.582 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.746 9.544 -6.060 1.00 0.00 C ATOM 0 H ILE A 9 -1.054 6.141 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.513 9.050 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.545 6.918 -3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.323 7.437 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.030 7.819 -6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.194 8.812 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.500 8.696 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.911 9.938 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.670 9.587 -7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.527 10.226 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.794 9.837 -5.618 1.00 0.00 H new ATOM 150 N GLY A 10 -2.592 8.771 -1.102 1.00 0.00 N ATOM 151 CA GLY A 10 -2.882 8.809 0.329 1.00 0.00 C ATOM 152 C GLY A 10 -3.670 7.584 0.809 1.00 0.00 C ATOM 153 O GLY A 10 -3.077 6.624 1.309 1.00 0.00 O ATOM 0 H GLY A 10 -2.805 9.663 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.946 8.873 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.449 9.712 0.556 1.00 0.00 H new ATOM 157 N PRO A 11 -5.006 7.578 0.657 1.00 0.00 N ATOM 158 CA PRO A 11 -5.849 6.447 1.022 1.00 0.00 C ATOM 159 C PRO A 11 -5.683 5.285 0.025 1.00 0.00 C ATOM 160 O PRO A 11 -6.666 4.782 -0.512 1.00 0.00 O ATOM 161 CB PRO A 11 -7.276 7.011 1.049 1.00 0.00 C ATOM 162 CG PRO A 11 -7.220 8.124 0.005 1.00 0.00 C ATOM 163 CD PRO A 11 -5.825 8.703 0.234 1.00 0.00 C ATOM 0 HA PRO A 11 -5.582 6.020 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.016 6.253 0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.541 7.394 2.035 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.341 7.740 -1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.001 8.868 0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.432 9.154 -0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.843 9.484 0.994 1.00 0.00 H new ATOM 171 N PHE A 12 -4.443 4.870 -0.257 1.00 0.00 N ATOM 172 CA PHE A 12 -4.120 3.875 -1.257 1.00 0.00 C ATOM 173 C PHE A 12 -2.713 3.340 -0.939 1.00 0.00 C ATOM 174 O PHE A 12 -2.582 2.399 -0.159 1.00 0.00 O ATOM 175 CB PHE A 12 -4.280 4.525 -2.643 1.00 0.00 C ATOM 176 CG PHE A 12 -4.770 3.644 -3.772 1.00 0.00 C ATOM 177 CD1 PHE A 12 -4.013 2.539 -4.199 1.00 0.00 C ATOM 178 CD2 PHE A 12 -5.904 4.036 -4.511 1.00 0.00 C ATOM 179 CE1 PHE A 12 -4.331 1.901 -5.410 1.00 0.00 C ATOM 180 CE2 PHE A 12 -6.229 3.386 -5.713 1.00 0.00 C ATOM 181 CZ PHE A 12 -5.419 2.341 -6.181 1.00 0.00 C ATOM 0 H PHE A 12 -3.621 5.234 0.224 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.785 3.012 -1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.971 5.362 -2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.315 4.940 -2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.190 2.182 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.527 4.841 -4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.735 1.067 -5.750 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.100 3.690 -6.275 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.632 1.876 -7.132 1.00 0.00 H new ATOM 191 N THR A 13 -1.649 3.971 -1.454 1.00 0.00 N ATOM 192 CA THR A 13 -0.286 3.563 -1.153 1.00 0.00 C ATOM 193 C THR A 13 0.023 3.881 0.302 1.00 0.00 C ATOM 194 O THR A 13 0.541 3.016 1.001 1.00 0.00 O ATOM 195 CB THR A 13 0.755 4.143 -2.136 1.00 0.00 C ATOM 196 OG1 THR A 13 1.846 3.251 -2.237 1.00 0.00 O ATOM 197 CG2 THR A 13 1.330 5.516 -1.778 1.00 0.00 C ATOM 0 H THR A 13 -1.716 4.770 -2.084 1.00 0.00 H new ATOM 0 HA THR A 13 -0.211 2.485 -1.294 1.00 0.00 H new ATOM 0 HB THR A 13 0.203 4.271 -3.067 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.509 3.614 -2.861 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.049 5.819 -2.539 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.523 6.247 -1.729 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.829 5.461 -0.810 1.00 0.00 H new ATOM 205 N GLN A 14 -0.290 5.093 0.782 1.00 0.00 N ATOM 206 CA GLN A 14 0.015 5.417 2.165 1.00 0.00 C ATOM 207 C GLN A 14 -0.825 4.541 3.093 1.00 0.00 C ATOM 208 O GLN A 14 -0.297 4.022 4.068 1.00 0.00 O ATOM 209 CB GLN A 14 -0.193 6.907 2.453 1.00 0.00 C ATOM 210 CG GLN A 14 1.111 7.701 2.610 1.00 0.00 C ATOM 211 CD GLN A 14 1.732 8.112 1.278 1.00 0.00 C ATOM 212 OE1 GLN A 14 1.186 7.857 0.209 1.00 0.00 O ATOM 213 NE2 GLN A 14 2.876 8.787 1.327 1.00 0.00 N ATOM 0 H GLN A 14 -0.739 5.836 0.247 1.00 0.00 H new ATOM 0 HA GLN A 14 1.069 5.209 2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.778 7.345 1.644 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.782 7.012 3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.915 8.595 3.203 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.829 7.100 3.168 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.312 8.987 2.227 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.318 9.105 0.464 1.00 0.00 H new ATOM 222 N ASN A 15 -2.114 4.360 2.789 1.00 0.00 N ATOM 223 CA ASN A 15 -2.986 3.480 3.564 1.00 0.00 C ATOM 224 C ASN A 15 -2.355 2.104 3.746 1.00 0.00 C ATOM 225 O ASN A 15 -2.148 1.645 4.868 1.00 0.00 O ATOM 226 CB ASN A 15 -4.343 3.322 2.877 1.00 0.00 C ATOM 227 CG ASN A 15 -5.304 2.536 3.760 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.407 1.321 3.650 1.00 0.00 O ATOM 229 ND2 ASN A 15 -6.013 3.226 4.650 1.00 0.00 N ATOM 0 H ASN A 15 -2.577 4.817 2.004 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.126 3.939 4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.762 4.304 2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.216 2.810 1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.666 2.743 5.267 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.903 4.238 4.716 1.00 0.00 H new ATOM 236 N LEU A 16 -2.044 1.453 2.627 1.00 0.00 N ATOM 237 CA LEU A 16 -1.434 0.131 2.645 1.00 0.00 C ATOM 238 C LEU A 16 -0.073 0.167 3.341 1.00 0.00 C ATOM 239 O LEU A 16 0.221 -0.707 4.148 1.00 0.00 O ATOM 240 CB LEU A 16 -1.319 -0.409 1.220 1.00 0.00 C ATOM 241 CG LEU A 16 -2.689 -0.692 0.580 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.482 -0.929 -0.911 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.388 -1.903 1.202 1.00 0.00 C ATOM 0 H LEU A 16 -2.207 1.825 1.692 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.072 -0.544 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.777 0.310 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.731 -1.327 1.230 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.333 0.170 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.443 -1.132 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.035 -0.043 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.819 -1.782 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.350 -2.058 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.767 -2.789 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.545 -1.726 2.266 1.00 0.00 H new ATOM 255 N ALA A 17 0.765 1.160 3.051 1.00 0.00 N ATOM 256 CA ALA A 17 2.071 1.290 3.678 1.00 0.00 C ATOM 257 C ALA A 17 1.933 1.367 5.202 1.00 0.00 C ATOM 258 O ALA A 17 2.655 0.677 5.923 1.00 0.00 O ATOM 259 CB ALA A 17 2.775 2.525 3.120 1.00 0.00 C ATOM 0 H ALA A 17 0.555 1.894 2.375 1.00 0.00 H new ATOM 0 HA ALA A 17 2.673 0.410 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.755 2.627 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.896 2.419 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.178 3.412 3.333 1.00 0.00 H new ATOM 265 N LYS A 18 0.992 2.179 5.695 1.00 0.00 N ATOM 266 CA LYS A 18 0.659 2.211 7.107 1.00 0.00 C ATOM 267 C LYS A 18 0.248 0.819 7.550 1.00 0.00 C ATOM 268 O LYS A 18 0.878 0.277 8.450 1.00 0.00 O ATOM 269 CB LYS A 18 -0.456 3.225 7.418 1.00 0.00 C ATOM 270 CG LYS A 18 0.057 4.489 8.116 1.00 0.00 C ATOM 271 CD LYS A 18 0.679 4.189 9.491 1.00 0.00 C ATOM 272 CE LYS A 18 0.729 5.474 10.327 1.00 0.00 C ATOM 273 NZ LYS A 18 1.808 5.432 11.330 1.00 0.00 N ATOM 0 H LYS A 18 0.448 2.825 5.124 1.00 0.00 H new ATOM 0 HA LYS A 18 1.542 2.534 7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.952 3.506 6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.207 2.748 8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.799 4.974 7.483 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.766 5.193 8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.093 3.430 10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.684 3.786 9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.877 6.330 9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.228 5.619 10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.810 6.318 11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.653 4.630 11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.724 5.319 10.850 1.00 0.00 H new ATOM 287 N PHE A 19 -0.788 0.252 6.921 1.00 0.00 N ATOM 288 CA PHE A 19 -1.320 -1.074 7.223 1.00 0.00 C ATOM 289 C PHE A 19 -0.161 -2.054 7.450 1.00 0.00 C ATOM 290 O PHE A 19 -0.093 -2.692 8.495 1.00 0.00 O ATOM 291 CB PHE A 19 -2.262 -1.521 6.091 1.00 0.00 C ATOM 292 CG PHE A 19 -3.120 -2.750 6.340 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.154 -2.705 7.295 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.039 -3.852 5.465 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.051 -3.783 7.419 1.00 0.00 C ATOM 296 CE2 PHE A 19 -3.910 -4.945 5.613 1.00 0.00 C ATOM 297 CZ PHE A 19 -4.915 -4.913 6.592 1.00 0.00 C ATOM 0 H PHE A 19 -1.291 0.720 6.167 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.907 -1.050 8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.926 -0.689 5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.657 -1.706 5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.259 -1.841 7.934 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.302 -3.857 4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.845 -3.742 8.150 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.806 -5.809 4.974 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.582 -5.754 6.710 1.00 0.00 H new ATOM 307 N ALA A 20 0.797 -2.102 6.518 1.00 0.00 N ATOM 308 CA ALA A 20 1.982 -2.948 6.617 1.00 0.00 C ATOM 309 C ALA A 20 2.641 -2.884 7.992 1.00 0.00 C ATOM 310 O ALA A 20 2.962 -3.917 8.572 1.00 0.00 O ATOM 311 CB ALA A 20 3.026 -2.586 5.556 1.00 0.00 C ATOM 0 H ALA A 20 0.767 -1.545 5.664 1.00 0.00 H new ATOM 0 HA ALA A 20 1.625 -3.964 6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.893 -3.237 5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.595 -2.714 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.333 -1.548 5.687 1.00 0.00 H new ATOM 317 N VAL A 21 2.886 -1.668 8.481 1.00 0.00 N ATOM 318 CA VAL A 21 3.561 -1.455 9.747 1.00 0.00 C ATOM 319 C VAL A 21 2.529 -1.498 10.865 1.00 0.00 C ATOM 320 O VAL A 21 2.556 -2.404 11.690 1.00 0.00 O ATOM 321 CB VAL A 21 4.355 -0.137 9.714 1.00 0.00 C ATOM 322 CG1 VAL A 21 5.031 0.123 11.067 1.00 0.00 C ATOM 323 CG2 VAL A 21 5.444 -0.217 8.639 1.00 0.00 C ATOM 0 H VAL A 21 2.619 -0.807 8.005 1.00 0.00 H new ATOM 0 HA VAL A 21 4.289 -2.245 9.932 1.00 0.00 H new ATOM 0 HB VAL A 21 3.659 0.673 9.493 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.587 1.059 11.022 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.272 0.189 11.846 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.715 -0.694 11.295 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.004 0.718 8.618 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.121 -1.041 8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.983 -0.385 7.666 1.00 0.00 H new ATOM 333 N ASP A 22 1.626 -0.517 10.889 1.00 0.00 N ATOM 334 CA ASP A 22 0.609 -0.331 11.910 1.00 0.00 C ATOM 335 C ASP A 22 -0.129 -1.624 12.209 1.00 0.00 C ATOM 336 O ASP A 22 -0.240 -2.015 13.368 1.00 0.00 O ATOM 337 CB ASP A 22 -0.401 0.733 11.457 1.00 0.00 C ATOM 338 CG ASP A 22 -1.635 0.763 12.357 1.00 0.00 C ATOM 339 OD1 ASP A 22 -1.499 1.263 13.493 1.00 0.00 O ATOM 340 OD2 ASP A 22 -2.688 0.273 11.894 1.00 0.00 O ATOM 0 H ASP A 22 1.587 0.198 10.163 1.00 0.00 H new ATOM 0 HA ASP A 22 1.113 -0.005 12.820 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.076 1.713 11.462 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.705 0.532 10.430 1.00 0.00 H new ATOM 345 N GLU A 23 -0.669 -2.269 11.176 1.00 0.00 N ATOM 346 CA GLU A 23 -1.474 -3.449 11.389 1.00 0.00 C ATOM 347 C GLU A 23 -0.605 -4.539 12.000 1.00 0.00 C ATOM 348 O GLU A 23 -0.958 -5.130 13.018 1.00 0.00 O ATOM 349 CB GLU A 23 -2.088 -3.939 10.075 1.00 0.00 C ATOM 350 CG GLU A 23 -3.288 -4.812 10.423 1.00 0.00 C ATOM 351 CD GLU A 23 -3.660 -5.848 9.363 1.00 0.00 C ATOM 352 OE1 GLU A 23 -2.790 -6.173 8.526 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.815 -6.319 9.429 1.00 0.00 O ATOM 0 H GLU A 23 -0.561 -1.992 10.200 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.291 -3.203 12.068 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.395 -3.095 9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.357 -4.506 9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.082 -5.330 11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.149 -4.167 10.598 1.00 0.00 H new ATOM 360 N GLU A 24 0.545 -4.798 11.379 1.00 0.00 N ATOM 361 CA GLU A 24 1.449 -5.812 11.884 1.00 0.00 C ATOM 362 C GLU A 24 1.844 -5.494 13.330 1.00 0.00 C ATOM 363 O GLU A 24 1.983 -6.404 14.139 1.00 0.00 O ATOM 364 CB GLU A 24 2.654 -5.956 10.945 1.00 0.00 C ATOM 365 CG GLU A 24 3.472 -7.210 11.277 1.00 0.00 C ATOM 366 CD GLU A 24 2.629 -8.470 11.110 1.00 0.00 C ATOM 367 OE1 GLU A 24 2.284 -8.765 9.948 1.00 0.00 O ATOM 368 OE2 GLU A 24 2.335 -9.111 12.145 1.00 0.00 O ATOM 0 H GLU A 24 0.864 -4.322 10.535 1.00 0.00 H new ATOM 0 HA GLU A 24 0.950 -6.781 11.904 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.309 -6.007 9.912 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.288 -5.073 11.026 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.345 -7.263 10.626 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.841 -7.148 12.301 1.00 0.00 H new ATOM 375 N ASN A 25 1.983 -4.211 13.666 1.00 0.00 N ATOM 376 CA ASN A 25 2.275 -3.757 15.016 1.00 0.00 C ATOM 377 C ASN A 25 1.130 -4.101 15.965 1.00 0.00 C ATOM 378 O ASN A 25 1.348 -4.732 16.995 1.00 0.00 O ATOM 379 CB ASN A 25 2.541 -2.242 15.028 1.00 0.00 C ATOM 380 CG ASN A 25 3.626 -1.885 16.032 1.00 0.00 C ATOM 381 OD1 ASN A 25 3.345 -1.446 17.141 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.885 -2.060 15.637 1.00 0.00 N ATOM 0 H ASN A 25 1.893 -3.450 12.993 1.00 0.00 H new ATOM 0 HA ASN A 25 3.172 -4.272 15.361 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.840 -1.914 14.032 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.622 -1.710 15.276 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.654 -1.826 16.265 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.081 -2.428 14.706 1.00 0.00 H new ATOM 389 N LYS A 26 -0.091 -3.669 15.631 1.00 0.00 N ATOM 390 CA LYS A 26 -1.224 -3.776 16.543 1.00 0.00 C ATOM 391 C LYS A 26 -1.738 -5.217 16.654 1.00 0.00 C ATOM 392 O LYS A 26 -2.305 -5.586 17.679 1.00 0.00 O ATOM 393 CB LYS A 26 -2.303 -2.735 16.193 1.00 0.00 C ATOM 394 CG LYS A 26 -3.002 -2.938 14.841 1.00 0.00 C ATOM 395 CD LYS A 26 -4.470 -3.390 14.955 1.00 0.00 C ATOM 396 CE LYS A 26 -5.407 -2.500 14.129 1.00 0.00 C ATOM 397 NZ LYS A 26 -5.510 -1.144 14.698 1.00 0.00 N ATOM 0 H LYS A 26 -0.315 -3.242 14.732 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.889 -3.531 17.551 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.059 -2.743 16.978 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.845 -1.746 16.201 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.963 -2.004 14.280 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.448 -3.680 14.265 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.559 -4.423 14.618 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.777 -3.368 16.001 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.041 -2.438 13.104 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.397 -2.954 14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.285 -0.630 14.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.702 -1.209 15.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.616 -0.635 14.546 1.00 0.00 H new ATOM 411 N ILE A 27 -1.534 -6.033 15.613 1.00 0.00 N ATOM 412 CA ILE A 27 -1.898 -7.445 15.607 1.00 0.00 C ATOM 413 C ILE A 27 -0.753 -8.316 16.141 1.00 0.00 C ATOM 414 O ILE A 27 -0.987 -9.195 16.966 1.00 0.00 O ATOM 415 CB ILE A 27 -2.324 -7.866 14.186 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.546 -7.085 13.668 1.00 0.00 C ATOM 417 CG2 ILE A 27 -2.603 -9.370 14.117 1.00 0.00 C ATOM 418 CD1 ILE A 27 -4.810 -7.219 14.526 1.00 0.00 C ATOM 0 H ILE A 27 -1.105 -5.722 14.742 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.745 -7.595 16.277 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.483 -7.623 13.537 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.282 -6.030 13.599 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.773 -7.423 12.657 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.901 -9.639 13.104 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.702 -9.920 14.388 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.405 -9.623 14.810 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.615 -6.634 14.081 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.107 -8.267 14.576 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.608 -6.851 15.532 1.00 0.00 H new ATOM 430 N GLY A 28 0.473 -8.117 15.649 1.00 0.00 N ATOM 431 CA GLY A 28 1.625 -8.927 16.025 1.00 0.00 C ATOM 432 C GLY A 28 1.443 -10.391 15.626 1.00 0.00 C ATOM 433 O GLY A 28 1.579 -11.284 16.459 1.00 0.00 O ATOM 0 H GLY A 28 0.691 -7.383 14.975 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.521 -8.529 15.548 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.781 -8.860 17.102 1.00 0.00 H new ATOM 437 N GLN A 29 1.135 -10.648 14.349 1.00 0.00 N ATOM 438 CA GLN A 29 0.987 -12.006 13.828 1.00 0.00 C ATOM 439 C GLN A 29 2.326 -12.550 13.327 1.00 0.00 C ATOM 440 O GLN A 29 2.737 -13.642 13.710 1.00 0.00 O ATOM 441 CB GLN A 29 -0.101 -12.052 12.737 1.00 0.00 C ATOM 442 CG GLN A 29 -1.182 -13.105 13.032 1.00 0.00 C ATOM 443 CD GLN A 29 -2.252 -12.629 14.017 1.00 0.00 C ATOM 444 OE1 GLN A 29 -1.902 -12.383 15.278 1.00 0.00 O flip ATOM 445 NE2 GLN A 29 -3.409 -12.477 13.642 1.00 0.00 N flip ATOM 0 H GLN A 29 0.982 -9.920 13.651 1.00 0.00 H new ATOM 0 HA GLN A 29 0.663 -12.656 14.641 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.567 -11.071 12.651 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.362 -12.270 11.775 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.663 -13.391 12.097 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.705 -14.000 13.432 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.660 -12.670 12.672 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.120 -12.158 14.299 1.00 0.00 H new ATOM 454 N TYR A 30 2.977 -11.797 12.439 1.00 0.00 N ATOM 455 CA TYR A 30 4.244 -12.159 11.818 1.00 0.00 C ATOM 456 C TYR A 30 5.377 -11.522 12.624 1.00 0.00 C ATOM 457 O TYR A 30 6.014 -12.198 13.426 1.00 0.00 O ATOM 458 CB TYR A 30 4.202 -11.768 10.326 1.00 0.00 C ATOM 459 CG TYR A 30 5.511 -11.360 9.673 1.00 0.00 C ATOM 460 CD1 TYR A 30 6.616 -12.231 9.696 1.00 0.00 C ATOM 461 CD2 TYR A 30 5.637 -10.084 9.086 1.00 0.00 C ATOM 462 CE1 TYR A 30 7.835 -11.834 9.120 1.00 0.00 C ATOM 463 CE2 TYR A 30 6.851 -9.698 8.493 1.00 0.00 C ATOM 464 CZ TYR A 30 7.949 -10.574 8.510 1.00 0.00 C ATOM 465 OH TYR A 30 9.113 -10.229 7.888 1.00 0.00 O ATOM 0 H TYR A 30 2.624 -10.893 12.126 1.00 0.00 H new ATOM 0 HA TYR A 30 4.427 -13.233 11.834 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.796 -12.612 9.768 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.498 -10.943 10.214 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.527 -13.204 10.156 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.799 -9.402 9.092 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.686 -12.499 9.146 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.940 -8.729 8.025 1.00 0.00 H new ATOM 0 HH TYR A 30 8.920 -9.614 7.150 1.00 0.00 H new ATOM 475 N GLY A 31 5.629 -10.228 12.416 1.00 0.00 N ATOM 476 CA GLY A 31 6.745 -9.535 13.044 1.00 0.00 C ATOM 477 C GLY A 31 7.380 -8.596 12.031 1.00 0.00 C ATOM 478 O GLY A 31 8.220 -8.996 11.230 1.00 0.00 O ATOM 0 H GLY A 31 5.064 -9.636 11.808 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.399 -8.974 13.912 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.481 -10.255 13.403 1.00 0.00 H new ATOM 482 N ARG A 32 6.939 -7.342 12.050 1.00 0.00 N ATOM 483 CA ARG A 32 7.439 -6.322 11.151 1.00 0.00 C ATOM 484 C ARG A 32 8.894 -5.993 11.484 1.00 0.00 C ATOM 485 O ARG A 32 9.326 -6.104 12.629 1.00 0.00 O ATOM 486 CB ARG A 32 6.565 -5.065 11.247 1.00 0.00 C ATOM 487 CG ARG A 32 6.824 -4.046 10.129 1.00 0.00 C ATOM 488 CD ARG A 32 6.345 -4.519 8.747 1.00 0.00 C ATOM 489 NE ARG A 32 6.357 -3.430 7.754 1.00 0.00 N ATOM 490 CZ ARG A 32 7.449 -2.845 7.239 1.00 0.00 C ATOM 491 NH1 ARG A 32 8.665 -3.332 7.488 1.00 0.00 N ATOM 492 NH2 ARG A 32 7.314 -1.767 6.464 1.00 0.00 N ATOM 0 H ARG A 32 6.222 -7.009 12.694 1.00 0.00 H new ATOM 0 HA ARG A 32 7.397 -6.697 10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.516 -5.360 11.222 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.738 -4.586 12.211 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.324 -3.110 10.378 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.892 -3.834 10.082 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.984 -5.332 8.401 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.335 -4.921 8.832 1.00 0.00 H new ATOM 0 HE ARG A 32 5.452 -3.090 7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.773 -4.158 8.076 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.487 -2.878 7.090 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.385 -1.394 6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.139 -1.316 6.069 1.00 0.00 H new ATOM 506 N LEU A 33 9.624 -5.554 10.462 1.00 0.00 N ATOM 507 CA LEU A 33 10.950 -4.982 10.580 1.00 0.00 C ATOM 508 C LEU A 33 10.814 -3.509 11.007 1.00 0.00 C ATOM 509 O LEU A 33 9.833 -3.146 11.653 1.00 0.00 O ATOM 510 CB LEU A 33 11.675 -5.146 9.235 1.00 0.00 C ATOM 511 CG LEU A 33 11.638 -6.559 8.610 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.138 -7.627 9.589 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.293 -7.004 8.011 1.00 0.00 C ATOM 0 H LEU A 33 9.292 -5.591 9.498 1.00 0.00 H new ATOM 0 HA LEU A 33 11.544 -5.491 11.339 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.240 -4.445 8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.718 -4.858 9.370 1.00 0.00 H new ATOM 0 HG LEU A 33 12.317 -6.466 7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.096 -8.606 9.112 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.166 -7.406 9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.507 -7.630 10.478 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.391 -8.010 7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.529 -7.000 8.789 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.004 -6.317 7.216 1.00 0.00 H new ATOM 525 N THR A 34 11.762 -2.644 10.631 1.00 0.00 N ATOM 526 CA THR A 34 11.723 -1.223 10.984 1.00 0.00 C ATOM 527 C THR A 34 11.223 -0.403 9.787 1.00 0.00 C ATOM 528 O THR A 34 10.965 -0.966 8.726 1.00 0.00 O ATOM 529 CB THR A 34 13.120 -0.794 11.481 1.00 0.00 C ATOM 530 OG1 THR A 34 13.081 0.524 11.989 1.00 0.00 O ATOM 531 CG2 THR A 34 14.219 -0.898 10.416 1.00 0.00 C ATOM 0 H THR A 34 12.575 -2.909 10.075 1.00 0.00 H new ATOM 0 HA THR A 34 11.019 -1.040 11.796 1.00 0.00 H new ATOM 0 HB THR A 34 13.380 -1.499 12.270 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.974 0.781 12.302 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.170 -0.579 10.842 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.301 -1.931 10.077 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.968 -0.258 9.570 1.00 0.00 H new ATOM 539 N PHE A 35 11.086 0.922 9.928 1.00 0.00 N ATOM 540 CA PHE A 35 10.903 1.839 8.814 1.00 0.00 C ATOM 541 C PHE A 35 12.151 1.892 7.932 1.00 0.00 C ATOM 542 O PHE A 35 12.965 2.802 8.062 1.00 0.00 O ATOM 543 CB PHE A 35 10.566 3.242 9.334 1.00 0.00 C ATOM 544 CG PHE A 35 9.160 3.375 9.870 1.00 0.00 C ATOM 545 CD1 PHE A 35 8.083 3.152 8.998 1.00 0.00 C ATOM 546 CD2 PHE A 35 8.915 3.755 11.204 1.00 0.00 C ATOM 547 CE1 PHE A 35 6.769 3.254 9.469 1.00 0.00 C ATOM 548 CE2 PHE A 35 7.592 3.905 11.659 1.00 0.00 C ATOM 549 CZ PHE A 35 6.517 3.653 10.791 1.00 0.00 C ATOM 0 H PHE A 35 11.101 1.386 10.836 1.00 0.00 H new ATOM 0 HA PHE A 35 10.074 1.473 8.208 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.271 3.506 10.122 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.706 3.961 8.527 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.268 2.902 7.964 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.741 3.931 11.877 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.944 3.024 8.811 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.403 4.214 12.676 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.501 3.766 11.139 1.00 0.00 H new ATOM 559 N ASN A 36 12.287 0.919 7.031 1.00 0.00 N ATOM 560 CA ASN A 36 13.301 0.879 5.986 1.00 0.00 C ATOM 561 C ASN A 36 12.801 1.691 4.781 1.00 0.00 C ATOM 562 O ASN A 36 12.958 2.909 4.786 1.00 0.00 O ATOM 563 CB ASN A 36 13.740 -0.571 5.676 1.00 0.00 C ATOM 564 CG ASN A 36 13.072 -1.623 6.563 1.00 0.00 C ATOM 565 OD1 ASN A 36 11.762 -1.816 6.411 1.00 0.00 O flip ATOM 566 ND2 ASN A 36 13.710 -2.265 7.396 1.00 0.00 N flip ATOM 0 H ASN A 36 11.669 0.108 7.011 1.00 0.00 H new ATOM 0 HA ASN A 36 14.222 1.356 6.320 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.515 -0.793 4.633 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.821 -0.646 5.792 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.712 -2.108 7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.237 -2.954 7.980 1.00 0.00 H new ATOM 573 N LYS A 37 12.174 1.079 3.763 1.00 0.00 N ATOM 574 CA LYS A 37 11.595 1.830 2.650 1.00 0.00 C ATOM 575 C LYS A 37 10.608 0.952 1.871 1.00 0.00 C ATOM 576 O LYS A 37 10.371 -0.199 2.228 1.00 0.00 O ATOM 577 CB LYS A 37 12.708 2.400 1.740 1.00 0.00 C ATOM 578 CG LYS A 37 12.606 3.928 1.609 1.00 0.00 C ATOM 579 CD LYS A 37 13.684 4.458 0.651 1.00 0.00 C ATOM 580 CE LYS A 37 13.582 5.975 0.439 1.00 0.00 C ATOM 581 NZ LYS A 37 13.858 6.731 1.674 1.00 0.00 N ATOM 0 H LYS A 37 12.058 0.068 3.693 1.00 0.00 H new ATOM 0 HA LYS A 37 11.037 2.678 3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.683 2.134 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.640 1.944 0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.617 4.202 1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.722 4.392 2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.670 4.214 1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.593 3.952 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.285 6.280 -0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.584 6.223 0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.828 7.751 1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.141 6.499 2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.801 6.478 2.033 1.00 0.00 H new ATOM 595 N VAL A 38 10.028 1.496 0.803 1.00 0.00 N ATOM 596 CA VAL A 38 9.135 0.813 -0.117 1.00 0.00 C ATOM 597 C VAL A 38 9.519 1.236 -1.533 1.00 0.00 C ATOM 598 O VAL A 38 9.811 2.413 -1.748 1.00 0.00 O ATOM 599 CB VAL A 38 7.684 1.158 0.266 1.00 0.00 C ATOM 600 CG1 VAL A 38 7.358 2.657 0.178 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.646 0.377 -0.549 1.00 0.00 C ATOM 0 H VAL A 38 10.178 2.472 0.548 1.00 0.00 H new ATOM 0 HA VAL A 38 9.220 -0.272 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 38 7.618 0.856 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.319 2.821 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.010 3.211 0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.513 3.004 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.643 0.665 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.771 0.602 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.785 -0.692 -0.387 1.00 0.00 H new ATOM 611 N ILE A 39 9.574 0.292 -2.479 1.00 0.00 N ATOM 612 CA ILE A 39 9.818 0.656 -3.873 1.00 0.00 C ATOM 613 C ILE A 39 8.564 1.335 -4.423 1.00 0.00 C ATOM 614 O ILE A 39 7.487 1.202 -3.845 1.00 0.00 O ATOM 615 CB ILE A 39 10.272 -0.554 -4.710 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.160 -1.587 -4.945 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.480 -1.229 -4.042 1.00 0.00 C ATOM 618 CD1 ILE A 39 8.432 -1.402 -6.280 1.00 0.00 C ATOM 0 H ILE A 39 9.456 -0.707 -2.308 1.00 0.00 H new ATOM 0 HA ILE A 39 10.646 1.362 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 39 10.549 -0.167 -5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.590 -2.588 -4.910 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.436 -1.522 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.796 -2.084 -4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.301 -0.515 -3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.202 -1.567 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.660 -2.164 -6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.973 -0.414 -6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.145 -1.496 -7.099 1.00 0.00 H new ATOM 630 N ARG A 40 8.690 2.082 -5.521 1.00 0.00 N ATOM 631 CA ARG A 40 7.601 2.866 -6.075 1.00 0.00 C ATOM 632 C ARG A 40 7.983 3.291 -7.497 1.00 0.00 C ATOM 633 O ARG A 40 9.179 3.399 -7.769 1.00 0.00 O ATOM 634 CB ARG A 40 7.318 4.070 -5.162 1.00 0.00 C ATOM 635 CG ARG A 40 8.537 4.986 -4.965 1.00 0.00 C ATOM 636 CD ARG A 40 8.470 5.687 -3.606 1.00 0.00 C ATOM 637 NE ARG A 40 7.193 6.389 -3.422 1.00 0.00 N ATOM 638 CZ ARG A 40 6.795 6.947 -2.271 1.00 0.00 C ATOM 639 NH1 ARG A 40 7.613 6.965 -1.214 1.00 0.00 N ATOM 640 NH2 ARG A 40 5.574 7.484 -2.190 1.00 0.00 N ATOM 0 H ARG A 40 9.559 2.156 -6.050 1.00 0.00 H new ATOM 0 HA ARG A 40 6.683 2.280 -6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.499 4.653 -5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.983 3.709 -4.190 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.454 4.400 -5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.573 5.729 -5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.600 4.953 -2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.292 6.398 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 40 6.567 6.456 -4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.544 6.553 -1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.307 7.391 -0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.954 7.467 -3.000 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.262 7.911 -1.318 1.00 0.00 H new ATOM 654 N PRO A 41 7.019 3.535 -8.401 1.00 0.00 N ATOM 655 CA PRO A 41 5.589 3.323 -8.217 1.00 0.00 C ATOM 656 C PRO A 41 5.283 1.824 -8.152 1.00 0.00 C ATOM 657 O PRO A 41 6.060 1.012 -8.655 1.00 0.00 O ATOM 658 CB PRO A 41 4.932 3.974 -9.436 1.00 0.00 C ATOM 659 CG PRO A 41 5.985 3.790 -10.530 1.00 0.00 C ATOM 660 CD PRO A 41 7.300 3.953 -9.765 1.00 0.00 C ATOM 0 HA PRO A 41 5.217 3.754 -7.287 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.991 3.489 -9.695 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.710 5.027 -9.261 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.911 2.811 -11.002 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.882 4.534 -11.320 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.088 3.343 -10.207 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.644 4.987 -9.794 1.00 0.00 H new ATOM 668 N CYS A 42 4.179 1.458 -7.497 1.00 0.00 N ATOM 669 CA CYS A 42 3.767 0.059 -7.356 1.00 0.00 C ATOM 670 C CYS A 42 2.589 -0.192 -8.299 1.00 0.00 C ATOM 671 O CYS A 42 2.261 0.686 -9.102 1.00 0.00 O ATOM 672 CB CYS A 42 3.485 -0.233 -5.873 1.00 0.00 C ATOM 673 SG CYS A 42 5.071 -0.566 -5.062 1.00 0.00 S ATOM 0 H CYS A 42 3.546 2.121 -7.050 1.00 0.00 H new ATOM 0 HA CYS A 42 4.550 -0.641 -7.649 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.987 0.616 -5.405 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.818 -1.089 -5.772 1.00 0.00 H new ATOM 0 HG CYS A 42 5.647 0.559 -4.756 1.00 0.00 H new ATOM 679 N MET A 43 1.923 -1.352 -8.215 1.00 0.00 N ATOM 680 CA MET A 43 0.829 -1.668 -9.128 1.00 0.00 C ATOM 681 C MET A 43 -0.269 -2.475 -8.419 1.00 0.00 C ATOM 682 O MET A 43 0.011 -3.239 -7.495 1.00 0.00 O ATOM 683 CB MET A 43 1.425 -2.393 -10.349 1.00 0.00 C ATOM 684 CG MET A 43 0.934 -1.803 -11.678 1.00 0.00 C ATOM 685 SD MET A 43 1.965 -2.183 -13.121 1.00 0.00 S ATOM 686 CE MET A 43 1.953 -3.988 -13.110 1.00 0.00 C ATOM 0 H MET A 43 2.125 -2.078 -7.528 1.00 0.00 H new ATOM 0 HA MET A 43 0.337 -0.758 -9.471 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.513 -2.333 -10.308 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.162 -3.450 -10.305 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.076 -2.167 -11.867 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.868 -0.720 -11.574 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.577 -4.361 -13.922 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.343 -4.349 -12.158 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.932 -4.346 -13.243 1.00 0.00 H new ATOM 696 N LYS A 44 -1.529 -2.285 -8.825 1.00 0.00 N ATOM 697 CA LYS A 44 -2.683 -2.955 -8.231 1.00 0.00 C ATOM 698 C LYS A 44 -3.583 -3.495 -9.340 1.00 0.00 C ATOM 699 O LYS A 44 -3.479 -3.018 -10.468 1.00 0.00 O ATOM 700 CB LYS A 44 -3.405 -1.971 -7.292 1.00 0.00 C ATOM 701 CG LYS A 44 -4.542 -1.157 -7.929 1.00 0.00 C ATOM 702 CD LYS A 44 -5.899 -1.835 -7.661 1.00 0.00 C ATOM 703 CE LYS A 44 -6.915 -1.585 -8.776 1.00 0.00 C ATOM 704 NZ LYS A 44 -7.652 -0.326 -8.580 1.00 0.00 N ATOM 0 H LYS A 44 -1.776 -1.652 -9.586 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.375 -3.810 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.811 -2.532 -6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.669 -1.277 -6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.546 -0.146 -7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.378 -1.068 -9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.748 -2.908 -7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.304 -1.468 -6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.400 -1.557 -9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.620 -2.415 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.330 -0.196 -9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.165 -0.361 -7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.983 0.470 -8.567 1.00 0.00 H new ATOM 718 N LYS A 45 -4.474 -4.441 -9.029 1.00 0.00 N ATOM 719 CA LYS A 45 -5.500 -4.924 -9.948 1.00 0.00 C ATOM 720 C LYS A 45 -6.716 -5.419 -9.166 1.00 0.00 C ATOM 721 O LYS A 45 -6.784 -5.261 -7.950 1.00 0.00 O ATOM 722 CB LYS A 45 -4.936 -6.022 -10.867 1.00 0.00 C ATOM 723 CG LYS A 45 -4.734 -7.413 -10.240 1.00 0.00 C ATOM 724 CD LYS A 45 -3.688 -7.423 -9.123 1.00 0.00 C ATOM 725 CE LYS A 45 -3.298 -8.871 -8.799 1.00 0.00 C ATOM 726 NZ LYS A 45 -2.265 -8.940 -7.751 1.00 0.00 N ATOM 0 H LYS A 45 -4.500 -4.897 -8.117 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.820 -4.098 -10.584 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.605 -6.128 -11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.976 -5.681 -11.255 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.685 -7.767 -9.842 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.433 -8.115 -11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.808 -6.858 -9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.086 -6.935 -8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.181 -9.421 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.932 -9.359 -9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.359 -9.226 -8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.160 -8.006 -7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.546 -9.637 -7.032 1.00 0.00 H new ATOM 740 N THR A 46 -7.665 -6.046 -9.862 1.00 0.00 N ATOM 741 CA THR A 46 -8.729 -6.822 -9.257 1.00 0.00 C ATOM 742 C THR A 46 -8.518 -8.276 -9.646 1.00 0.00 C ATOM 743 O THR A 46 -8.160 -8.550 -10.791 1.00 0.00 O ATOM 744 CB THR A 46 -10.094 -6.279 -9.701 1.00 0.00 C ATOM 745 OG1 THR A 46 -11.150 -6.864 -8.963 1.00 0.00 O ATOM 746 CG2 THR A 46 -10.353 -6.452 -11.200 1.00 0.00 C ATOM 0 H THR A 46 -7.710 -6.023 -10.881 1.00 0.00 H new ATOM 0 HA THR A 46 -8.710 -6.746 -8.170 1.00 0.00 H new ATOM 0 HB THR A 46 -10.062 -5.209 -9.497 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.790 -7.284 -8.154 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.334 -6.048 -11.449 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.588 -5.920 -11.765 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.322 -7.511 -11.455 1.00 0.00 H new ATOM 754 N ILE A 47 -8.729 -9.202 -8.709 1.00 0.00 N ATOM 755 CA ILE A 47 -8.786 -10.610 -9.045 1.00 0.00 C ATOM 756 C ILE A 47 -10.227 -11.048 -9.296 1.00 0.00 C ATOM 757 O ILE A 47 -11.140 -10.775 -8.517 1.00 0.00 O ATOM 758 CB ILE A 47 -8.132 -11.490 -7.972 1.00 0.00 C ATOM 759 CG1 ILE A 47 -8.282 -12.976 -8.366 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.763 -11.246 -6.607 1.00 0.00 C ATOM 761 CD1 ILE A 47 -7.431 -13.906 -7.493 1.00 0.00 C ATOM 0 H ILE A 47 -8.862 -8.996 -7.719 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.214 -10.743 -9.963 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.075 -11.233 -7.906 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.330 -13.266 -8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.996 -13.102 -9.410 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.281 -11.882 -5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.633 -10.200 -6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.827 -11.481 -6.651 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.575 -14.938 -7.813 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.379 -13.638 -7.593 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.733 -13.804 -6.451 1.00 0.00 H new ATOM 773 N TYR A 48 -10.394 -11.769 -10.395 1.00 0.00 N ATOM 774 CA TYR A 48 -11.527 -12.595 -10.732 1.00 0.00 C ATOM 775 C TYR A 48 -11.104 -14.075 -10.681 1.00 0.00 C ATOM 776 O TYR A 48 -9.933 -14.396 -10.870 1.00 0.00 O ATOM 777 CB TYR A 48 -12.029 -12.210 -12.125 1.00 0.00 C ATOM 778 CG TYR A 48 -11.718 -10.807 -12.597 1.00 0.00 C ATOM 779 CD1 TYR A 48 -12.425 -9.740 -12.033 1.00 0.00 C ATOM 780 CD2 TYR A 48 -10.926 -10.592 -13.740 1.00 0.00 C ATOM 781 CE1 TYR A 48 -12.562 -8.534 -12.739 1.00 0.00 C ATOM 782 CE2 TYR A 48 -11.012 -9.368 -14.420 1.00 0.00 C ATOM 783 CZ TYR A 48 -11.912 -8.385 -13.977 1.00 0.00 C ATOM 784 OH TYR A 48 -12.187 -7.335 -14.795 1.00 0.00 O ATOM 0 H TYR A 48 -9.682 -11.788 -11.125 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.338 -12.444 -10.019 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.607 -12.912 -12.844 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -13.111 -12.344 -12.146 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -12.866 -9.844 -11.053 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.257 -11.364 -14.091 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.160 -7.730 -12.336 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.388 -9.182 -15.282 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.640 -7.400 -15.605 1.00 0.00 H new ATOM 923 N LYS A 57 -13.315 -12.033 -6.085 1.00 0.00 N ATOM 924 CA LYS A 57 -13.008 -11.943 -4.661 1.00 0.00 C ATOM 925 C LYS A 57 -12.887 -10.480 -4.240 1.00 0.00 C ATOM 926 O LYS A 57 -13.389 -10.092 -3.184 1.00 0.00 O ATOM 927 CB LYS A 57 -11.728 -12.722 -4.334 1.00 0.00 C ATOM 928 CG LYS A 57 -11.467 -12.798 -2.821 1.00 0.00 C ATOM 929 CD LYS A 57 -11.176 -14.240 -2.389 1.00 0.00 C ATOM 930 CE LYS A 57 -10.898 -14.302 -0.882 1.00 0.00 C ATOM 931 NZ LYS A 57 -11.158 -15.648 -0.342 1.00 0.00 N ATOM 0 HA LYS A 57 -13.824 -12.394 -4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.805 -13.731 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.879 -12.245 -4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.623 -12.159 -2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.333 -12.419 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.025 -14.878 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.318 -14.625 -2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.861 -14.025 -0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.523 -13.574 -0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.961 -15.657 0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.154 -15.901 -0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.544 -16.338 -0.819 1.00 0.00 H new ATOM 945 N GLY A 58 -12.229 -9.666 -5.073 1.00 0.00 N ATOM 946 CA GLY A 58 -12.122 -8.239 -4.852 1.00 0.00 C ATOM 947 C GLY A 58 -10.833 -7.679 -5.431 1.00 0.00 C ATOM 948 O GLY A 58 -10.233 -8.252 -6.346 1.00 0.00 O ATOM 0 H GLY A 58 -11.758 -9.989 -5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.975 -7.735 -5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.162 -8.032 -3.783 1.00 0.00 H new ATOM 952 N TYR A 59 -10.430 -6.531 -4.887 1.00 0.00 N ATOM 953 CA TYR A 59 -9.243 -5.821 -5.316 1.00 0.00 C ATOM 954 C TYR A 59 -8.005 -6.476 -4.715 1.00 0.00 C ATOM 955 O TYR A 59 -8.107 -7.191 -3.717 1.00 0.00 O ATOM 956 CB TYR A 59 -9.357 -4.332 -4.958 1.00 0.00 C ATOM 957 CG TYR A 59 -10.276 -3.558 -5.882 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.855 -3.320 -7.198 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.540 -3.099 -5.466 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.673 -2.625 -8.102 1.00 0.00 C ATOM 961 CE2 TYR A 59 -12.366 -2.403 -6.369 1.00 0.00 C ATOM 962 CZ TYR A 59 -11.932 -2.169 -7.687 1.00 0.00 C ATOM 963 OH TYR A 59 -12.724 -1.498 -8.569 1.00 0.00 O ATOM 0 H TYR A 59 -10.930 -6.069 -4.127 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.147 -5.879 -6.400 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.721 -4.239 -3.935 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.364 -3.883 -4.985 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.888 -3.676 -7.520 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.876 -3.280 -4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.335 -2.443 -9.111 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.335 -2.048 -6.050 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.564 -1.249 -8.130 1.00 0.00 H new ATOM 973 N GLU A 60 -6.843 -6.226 -5.325 1.00 0.00 N ATOM 974 CA GLU A 60 -5.556 -6.638 -4.804 1.00 0.00 C ATOM 975 C GLU A 60 -4.519 -5.570 -5.154 1.00 0.00 C ATOM 976 O GLU A 60 -4.608 -4.928 -6.200 1.00 0.00 O ATOM 977 CB GLU A 60 -5.146 -7.994 -5.393 1.00 0.00 C ATOM 978 CG GLU A 60 -4.492 -8.943 -4.384 1.00 0.00 C ATOM 979 CD GLU A 60 -4.110 -10.259 -5.051 1.00 0.00 C ATOM 980 OE1 GLU A 60 -5.043 -11.026 -5.375 1.00 0.00 O ATOM 981 OE2 GLU A 60 -2.893 -10.457 -5.258 1.00 0.00 O ATOM 0 H GLU A 60 -6.780 -5.722 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.619 -6.748 -3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.029 -8.478 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.454 -7.825 -6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.605 -8.474 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.178 -9.134 -3.559 1.00 0.00 H new ATOM 988 N TYR A 61 -3.520 -5.415 -4.292 1.00 0.00 N ATOM 989 CA TYR A 61 -2.471 -4.412 -4.382 1.00 0.00 C ATOM 990 C TYR A 61 -1.126 -5.112 -4.255 1.00 0.00 C ATOM 991 O TYR A 61 -0.843 -5.657 -3.189 1.00 0.00 O ATOM 992 CB TYR A 61 -2.643 -3.385 -3.260 1.00 0.00 C ATOM 993 CG TYR A 61 -4.000 -2.712 -3.215 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.265 -1.599 -4.032 1.00 0.00 C ATOM 995 CD2 TYR A 61 -4.935 -3.080 -2.230 1.00 0.00 C ATOM 996 CE1 TYR A 61 -5.532 -0.995 -4.007 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.182 -2.435 -2.165 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.501 -1.431 -3.095 1.00 0.00 C ATOM 999 OH TYR A 61 -7.729 -0.842 -3.105 1.00 0.00 O ATOM 0 H TYR A 61 -3.417 -6.015 -3.474 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.526 -3.891 -5.338 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.467 -3.879 -2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.876 -2.618 -3.368 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.494 -1.209 -4.679 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.694 -3.860 -1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.760 -0.192 -4.693 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.894 -2.711 -1.401 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.405 -1.491 -2.818 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.323 -5.115 -5.326 1.00 0.00 N ATOM 1010 CA GLN A 62 0.974 -5.767 -5.363 1.00 0.00 C ATOM 1011 C GLN A 62 2.046 -4.699 -5.188 1.00 0.00 C ATOM 1012 O GLN A 62 2.424 -4.013 -6.139 1.00 0.00 O ATOM 1013 CB GLN A 62 1.132 -6.527 -6.688 1.00 0.00 C ATOM 1014 CG GLN A 62 2.460 -7.303 -6.760 1.00 0.00 C ATOM 1015 CD GLN A 62 3.315 -6.907 -7.964 1.00 0.00 C ATOM 1016 OE1 GLN A 62 3.683 -7.751 -8.772 1.00 0.00 O ATOM 1017 NE2 GLN A 62 3.644 -5.626 -8.096 1.00 0.00 N ATOM 0 H GLN A 62 -0.569 -4.654 -6.202 1.00 0.00 H new ATOM 0 HA GLN A 62 1.070 -6.496 -4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.301 -7.222 -6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.080 -5.822 -7.518 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.027 -7.129 -5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.249 -8.371 -6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.324 -4.944 -7.408 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.216 -5.325 -8.885 1.00 0.00 H new ATOM 1026 N LEU A 63 2.548 -4.583 -3.965 1.00 0.00 N ATOM 1027 CA LEU A 63 3.614 -3.666 -3.617 1.00 0.00 C ATOM 1028 C LEU A 63 4.767 -4.448 -3.001 1.00 0.00 C ATOM 1029 O LEU A 63 4.651 -5.640 -2.721 1.00 0.00 O ATOM 1030 CB LEU A 63 3.063 -2.524 -2.746 1.00 0.00 C ATOM 1031 CG LEU A 63 2.279 -2.978 -1.502 1.00 0.00 C ATOM 1032 CD1 LEU A 63 3.157 -2.887 -0.249 1.00 0.00 C ATOM 1033 CD2 LEU A 63 1.052 -2.080 -1.315 1.00 0.00 C ATOM 0 H LEU A 63 2.216 -5.137 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 63 4.022 -3.177 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.895 -1.898 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.413 -1.900 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 63 1.969 -4.013 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.585 -3.212 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.030 -3.528 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.481 -1.856 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.497 -2.402 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.374 -1.047 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.411 -2.152 -2.194 1.00 0.00 H new ATOM 1045 N TYR A 64 5.909 -3.785 -2.861 1.00 0.00 N ATOM 1046 CA TYR A 64 7.165 -4.394 -2.486 1.00 0.00 C ATOM 1047 C TYR A 64 7.793 -3.490 -1.432 1.00 0.00 C ATOM 1048 O TYR A 64 8.447 -2.494 -1.754 1.00 0.00 O ATOM 1049 CB TYR A 64 8.011 -4.521 -3.751 1.00 0.00 C ATOM 1050 CG TYR A 64 7.907 -5.871 -4.426 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.626 -6.959 -3.902 1.00 0.00 C ATOM 1052 CD2 TYR A 64 7.132 -6.037 -5.590 1.00 0.00 C ATOM 1053 CE1 TYR A 64 8.626 -8.190 -4.576 1.00 0.00 C ATOM 1054 CE2 TYR A 64 7.110 -7.280 -6.246 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.875 -8.350 -5.753 1.00 0.00 C ATOM 1056 OH TYR A 64 7.885 -9.537 -6.422 1.00 0.00 O ATOM 0 H TYR A 64 5.981 -2.779 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 64 7.061 -5.392 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.708 -3.748 -4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.054 -4.331 -3.499 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.178 -6.848 -2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.555 -5.210 -5.978 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.204 -9.016 -4.189 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.504 -7.413 -7.130 1.00 0.00 H new ATOM 0 HH TYR A 64 7.310 -9.472 -7.213 1.00 0.00 H new ATOM 1066 N VAL A 65 7.555 -3.826 -0.163 1.00 0.00 N ATOM 1067 CA VAL A 65 8.150 -3.100 0.940 1.00 0.00 C ATOM 1068 C VAL A 65 9.566 -3.646 1.113 1.00 0.00 C ATOM 1069 O VAL A 65 9.776 -4.860 1.178 1.00 0.00 O ATOM 1070 CB VAL A 65 7.254 -3.172 2.186 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.210 -4.549 2.853 1.00 0.00 C ATOM 1072 CG2 VAL A 65 7.665 -2.101 3.200 1.00 0.00 C ATOM 0 H VAL A 65 6.952 -4.599 0.118 1.00 0.00 H new ATOM 0 HA VAL A 65 8.229 -2.030 0.748 1.00 0.00 H new ATOM 0 HB VAL A 65 6.240 -2.983 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.555 -4.511 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.829 -5.285 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.214 -4.834 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.021 -2.164 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.701 -2.261 3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.566 -1.114 2.748 1.00 0.00 H new ATOM 1082 N TYR A 66 10.550 -2.746 1.113 1.00 0.00 N ATOM 1083 CA TYR A 66 11.935 -3.120 1.293 1.00 0.00 C ATOM 1084 C TYR A 66 12.141 -3.159 2.795 1.00 0.00 C ATOM 1085 O TYR A 66 11.987 -2.130 3.457 1.00 0.00 O ATOM 1086 CB TYR A 66 12.849 -2.107 0.587 1.00 0.00 C ATOM 1087 CG TYR A 66 14.278 -2.571 0.392 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.511 -3.802 -0.238 1.00 0.00 C ATOM 1089 CD2 TYR A 66 15.369 -1.756 0.747 1.00 0.00 C ATOM 1090 CE1 TYR A 66 15.818 -4.273 -0.427 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.682 -2.201 0.506 1.00 0.00 C ATOM 1092 CZ TYR A 66 16.906 -3.469 -0.058 1.00 0.00 C ATOM 1093 OH TYR A 66 18.169 -3.964 -0.152 1.00 0.00 O ATOM 0 H TYR A 66 10.401 -1.745 0.988 1.00 0.00 H new ATOM 0 HA TYR A 66 12.181 -4.086 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.422 -1.871 -0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.857 -1.182 1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.675 -4.393 -0.581 1.00 0.00 H new ATOM 0 HD2 TYR A 66 15.199 -0.792 1.203 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.986 -5.250 -0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.520 -1.567 0.755 1.00 0.00 H new ATOM 0 HH TYR A 66 18.240 -4.782 0.383 1.00 0.00 H new ATOM 1103 N ALA A 67 12.400 -4.344 3.353 1.00 0.00 N ATOM 1104 CA ALA A 67 12.402 -4.496 4.795 1.00 0.00 C ATOM 1105 C ALA A 67 13.497 -5.429 5.259 1.00 0.00 C ATOM 1106 O ALA A 67 13.798 -6.396 4.573 1.00 0.00 O ATOM 1107 CB ALA A 67 11.008 -4.844 5.316 1.00 0.00 C ATOM 0 H ALA A 67 12.607 -5.195 2.831 1.00 0.00 H new ATOM 0 HA ALA A 67 12.648 -3.534 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.041 -4.952 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.312 -4.048 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.676 -5.781 4.868 1.00 0.00 H new ATOM 1113 N SER A 68 14.166 -5.096 6.369 1.00 0.00 N ATOM 1114 CA SER A 68 15.406 -5.767 6.756 1.00 0.00 C ATOM 1115 C SER A 68 16.425 -5.799 5.600 1.00 0.00 C ATOM 1116 O SER A 68 17.246 -6.711 5.533 1.00 0.00 O ATOM 1117 CB SER A 68 15.132 -7.159 7.346 1.00 0.00 C ATOM 1118 OG SER A 68 16.324 -7.750 7.822 1.00 0.00 O ATOM 0 H SER A 68 13.866 -4.365 7.014 1.00 0.00 H new ATOM 0 HA SER A 68 15.866 -5.178 7.550 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.412 -7.078 8.160 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.683 -7.798 6.586 1.00 0.00 H new ATOM 0 HG SER A 68 17.023 -7.671 7.140 1.00 0.00 H new ATOM 1124 N ASP A 69 16.356 -4.821 4.687 1.00 0.00 N ATOM 1125 CA ASP A 69 17.146 -4.718 3.464 1.00 0.00 C ATOM 1126 C ASP A 69 16.885 -5.871 2.477 1.00 0.00 C ATOM 1127 O ASP A 69 17.627 -6.036 1.509 1.00 0.00 O ATOM 1128 CB ASP A 69 18.627 -4.550 3.833 1.00 0.00 C ATOM 1129 CG ASP A 69 19.484 -4.060 2.671 1.00 0.00 C ATOM 1130 OD1 ASP A 69 19.376 -2.852 2.370 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.246 -4.888 2.126 1.00 0.00 O ATOM 0 H ASP A 69 15.710 -4.039 4.793 1.00 0.00 H new ATOM 0 HA ASP A 69 16.829 -3.830 2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.711 -3.845 4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.017 -5.504 4.187 1.00 0.00 H new ATOM 1136 N LYS A 70 15.814 -6.644 2.685 1.00 0.00 N ATOM 1137 CA LYS A 70 15.352 -7.686 1.781 1.00 0.00 C ATOM 1138 C LYS A 70 14.144 -7.155 1.013 1.00 0.00 C ATOM 1139 O LYS A 70 13.442 -6.253 1.478 1.00 0.00 O ATOM 1140 CB LYS A 70 14.946 -8.974 2.525 1.00 0.00 C ATOM 1141 CG LYS A 70 15.602 -9.239 3.885 1.00 0.00 C ATOM 1142 CD LYS A 70 17.132 -9.262 3.937 1.00 0.00 C ATOM 1143 CE LYS A 70 17.784 -10.391 3.129 1.00 0.00 C ATOM 1144 NZ LYS A 70 17.950 -10.026 1.712 1.00 0.00 N ATOM 0 H LYS A 70 15.230 -6.553 3.516 1.00 0.00 H new ATOM 0 HA LYS A 70 16.173 -7.941 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.866 -8.953 2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.164 -9.821 1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.253 -8.477 4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.238 -10.198 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.509 -8.307 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.445 -9.350 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.757 -10.630 3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.173 -11.290 3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.820 -10.459 1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.133 -10.369 1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.014 -8.992 1.625 1.00 0.00 H new ATOM 1158 N LEU A 71 13.884 -7.751 -0.149 1.00 0.00 N ATOM 1159 CA LEU A 71 12.698 -7.486 -0.939 1.00 0.00 C ATOM 1160 C LEU A 71 11.594 -8.412 -0.425 1.00 0.00 C ATOM 1161 O LEU A 71 11.641 -9.621 -0.639 1.00 0.00 O ATOM 1162 CB LEU A 71 13.036 -7.695 -2.429 1.00 0.00 C ATOM 1163 CG LEU A 71 13.084 -6.368 -3.195 1.00 0.00 C ATOM 1164 CD1 LEU A 71 13.937 -6.463 -4.455 1.00 0.00 C ATOM 1165 CD2 LEU A 71 11.679 -5.901 -3.567 1.00 0.00 C ATOM 0 H LEU A 71 14.506 -8.442 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 71 12.347 -6.459 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.998 -8.199 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.291 -8.349 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 71 13.543 -5.639 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.942 -5.500 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.957 -6.735 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.523 -7.222 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.741 -4.958 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.201 -6.651 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.090 -5.760 -2.660 1.00 0.00 H new ATOM 1177 N PHE A 72 10.605 -7.858 0.278 1.00 0.00 N ATOM 1178 CA PHE A 72 9.439 -8.601 0.714 1.00 0.00 C ATOM 1179 C PHE A 72 8.287 -8.198 -0.199 1.00 0.00 C ATOM 1180 O PHE A 72 7.860 -7.042 -0.176 1.00 0.00 O ATOM 1181 CB PHE A 72 9.162 -8.266 2.181 1.00 0.00 C ATOM 1182 CG PHE A 72 10.077 -8.976 3.160 1.00 0.00 C ATOM 1183 CD1 PHE A 72 9.875 -10.334 3.471 1.00 0.00 C ATOM 1184 CD2 PHE A 72 11.123 -8.270 3.772 1.00 0.00 C ATOM 1185 CE1 PHE A 72 10.690 -10.963 4.428 1.00 0.00 C ATOM 1186 CE2 PHE A 72 11.940 -8.895 4.737 1.00 0.00 C ATOM 1187 CZ PHE A 72 11.717 -10.243 5.065 1.00 0.00 C ATOM 0 H PHE A 72 10.597 -6.877 0.558 1.00 0.00 H new ATOM 0 HA PHE A 72 9.583 -9.680 0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.261 -7.190 2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.129 -8.524 2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.095 -10.892 2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.304 -7.240 3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.527 -12.002 4.675 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.731 -8.341 5.220 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.335 -10.727 5.807 1.00 0.00 H new ATOM 1197 N ARG A 73 7.784 -9.135 -1.011 1.00 0.00 N ATOM 1198 CA ARG A 73 6.571 -8.884 -1.763 1.00 0.00 C ATOM 1199 C ARG A 73 5.448 -8.684 -0.755 1.00 0.00 C ATOM 1200 O ARG A 73 5.462 -9.295 0.310 1.00 0.00 O ATOM 1201 CB ARG A 73 6.260 -10.039 -2.728 1.00 0.00 C ATOM 1202 CG ARG A 73 5.024 -9.708 -3.580 1.00 0.00 C ATOM 1203 CD ARG A 73 4.731 -10.799 -4.614 1.00 0.00 C ATOM 1204 NE ARG A 73 3.355 -10.682 -5.117 1.00 0.00 N ATOM 1205 CZ ARG A 73 2.762 -11.566 -5.931 1.00 0.00 C ATOM 1206 NH1 ARG A 73 3.470 -12.563 -6.474 1.00 0.00 N ATOM 1207 NH2 ARG A 73 1.456 -11.455 -6.196 1.00 0.00 N ATOM 0 H ARG A 73 8.197 -10.056 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 73 6.686 -7.995 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.118 -10.221 -3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.086 -10.955 -2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.158 -9.583 -2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.179 -8.757 -4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.434 -10.720 -5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.877 -11.781 -4.165 1.00 0.00 H new ATOM 0 HE ARG A 73 2.812 -9.869 -4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.465 -12.652 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.015 -13.234 -7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.913 -10.699 -5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.002 -12.127 -6.815 1.00 0.00 H new ATOM 1221 N ALA A 74 4.472 -7.844 -1.076 1.00 0.00 N ATOM 1222 CA ALA A 74 3.271 -7.730 -0.287 1.00 0.00 C ATOM 1223 C ALA A 74 2.086 -7.577 -1.236 1.00 0.00 C ATOM 1224 O ALA A 74 2.021 -6.619 -2.004 1.00 0.00 O ATOM 1225 CB ALA A 74 3.430 -6.581 0.707 1.00 0.00 C ATOM 0 H ALA A 74 4.499 -7.229 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 74 3.086 -8.622 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.524 -6.490 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.279 -6.780 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.600 -5.651 0.164 1.00 0.00 H new ATOM 1231 N ASP A 75 1.175 -8.554 -1.200 1.00 0.00 N ATOM 1232 CA ASP A 75 0.010 -8.624 -2.062 1.00 0.00 C ATOM 1233 C ASP A 75 -1.211 -8.525 -1.159 1.00 0.00 C ATOM 1234 O ASP A 75 -1.636 -9.524 -0.602 1.00 0.00 O ATOM 1235 CB ASP A 75 0.032 -9.914 -2.903 1.00 0.00 C ATOM 1236 CG ASP A 75 0.233 -11.206 -2.107 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.355 -11.384 -1.582 1.00 0.00 O ATOM 1238 OD2 ASP A 75 -0.718 -12.016 -2.084 1.00 0.00 O ATOM 0 H ASP A 75 1.237 -9.337 -0.549 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.007 -7.808 -2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.906 -9.987 -3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.829 -9.834 -3.642 1.00 0.00 H new ATOM 1243 N ILE A 76 -1.756 -7.324 -0.972 1.00 0.00 N ATOM 1244 CA ILE A 76 -2.877 -7.108 -0.057 1.00 0.00 C ATOM 1245 C ILE A 76 -4.145 -7.312 -0.872 1.00 0.00 C ATOM 1246 O ILE A 76 -4.152 -6.906 -2.029 1.00 0.00 O ATOM 1247 CB ILE A 76 -2.824 -5.700 0.567 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -1.499 -5.448 1.307 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -3.980 -5.523 1.567 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -0.324 -5.130 0.370 1.00 0.00 C ATOM 0 H ILE A 76 -1.437 -6.479 -1.446 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.840 -7.807 0.779 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.909 -4.985 -0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.633 -4.620 2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.251 -6.327 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.934 -4.525 2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.931 -5.650 1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.895 -6.268 2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.577 -4.964 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.164 -5.967 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.551 -4.233 -0.207 1.00 0.00 H new ATOM 1262 N SER A 77 -5.191 -7.927 -0.307 1.00 0.00 N ATOM 1263 CA SER A 77 -6.439 -8.224 -1.006 1.00 0.00 C ATOM 1264 C SER A 77 -7.605 -7.564 -0.273 1.00 0.00 C ATOM 1265 O SER A 77 -7.523 -7.395 0.946 1.00 0.00 O ATOM 1266 CB SER A 77 -6.643 -9.740 -1.105 1.00 0.00 C ATOM 1267 OG SER A 77 -7.330 -10.090 -2.293 1.00 0.00 O ATOM 0 H SER A 77 -5.190 -8.236 0.665 1.00 0.00 H new ATOM 0 HA SER A 77 -6.391 -7.823 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.676 -10.242 -1.080 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.206 -10.091 -0.240 1.00 0.00 H new ATOM 0 HG SER A 77 -7.445 -11.063 -2.330 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.679 -7.216 -0.995 1.00 0.00 N ATOM 1274 CA GLU A 78 -9.880 -6.640 -0.428 1.00 0.00 C ATOM 1275 C GLU A 78 -11.098 -7.534 -0.621 1.00 0.00 C ATOM 1276 O GLU A 78 -11.104 -8.411 -1.482 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.152 -5.272 -1.062 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.028 -4.285 -0.755 1.00 0.00 C ATOM 1279 CD GLU A 78 -9.528 -2.850 -0.886 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -9.664 -2.404 -2.045 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.761 -2.222 0.169 1.00 0.00 O ATOM 0 H GLU A 78 -8.726 -7.334 -2.007 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.710 -6.534 0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.256 -5.383 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.097 -4.877 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.652 -4.455 0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.194 -4.450 -1.438 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.142 -7.259 0.166 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.447 -7.894 0.045 1.00 0.00 C ATOM 1290 C ASP A 79 -14.320 -7.104 -0.932 1.00 0.00 C ATOM 1291 O ASP A 79 -14.829 -6.043 -0.563 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.124 -7.963 1.423 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.511 -8.606 1.380 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -15.906 -9.088 0.293 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.164 -8.588 2.444 1.00 0.00 O ATOM 0 H ASP A 79 -12.097 -6.573 0.920 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.319 -8.907 -0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.489 -8.529 2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.210 -6.955 1.830 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.538 -7.658 -2.131 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.486 -7.183 -3.140 1.00 0.00 C ATOM 1302 C TYR A 80 -16.796 -6.623 -2.563 1.00 0.00 C ATOM 1303 O TYR A 80 -17.326 -5.654 -3.099 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.791 -8.340 -4.106 1.00 0.00 C ATOM 1305 CG TYR A 80 -16.726 -8.064 -5.270 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -16.628 -6.864 -6.002 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.549 -9.101 -5.749 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -17.377 -6.690 -7.178 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -18.294 -8.928 -6.927 1.00 0.00 C ATOM 1310 CZ TYR A 80 -18.206 -7.724 -7.643 1.00 0.00 C ATOM 1311 OH TYR A 80 -18.906 -7.576 -8.803 1.00 0.00 O ATOM 0 H TYR A 80 -14.032 -8.490 -2.436 1.00 0.00 H new ATOM 0 HA TYR A 80 -15.013 -6.346 -3.653 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.844 -8.694 -4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.214 -9.159 -3.524 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -15.975 -6.075 -5.658 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.608 -10.034 -5.208 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -17.315 -5.761 -7.725 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -18.935 -9.722 -7.282 1.00 0.00 H new ATOM 0 HH TYR A 80 -19.427 -8.388 -8.976 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.332 -7.238 -1.500 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.610 -6.861 -0.896 1.00 0.00 C ATOM 1323 C LYS A 81 -18.711 -5.353 -0.625 1.00 0.00 C ATOM 1324 O LYS A 81 -19.766 -4.742 -0.792 1.00 0.00 O ATOM 1325 CB LYS A 81 -18.783 -7.648 0.415 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.240 -7.750 0.875 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.046 -8.628 -0.096 1.00 0.00 C ATOM 1328 CE LYS A 81 -21.807 -9.742 0.635 1.00 0.00 C ATOM 1329 NZ LYS A 81 -22.859 -9.206 1.514 1.00 0.00 N ATOM 0 H LYS A 81 -16.880 -8.023 -1.031 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.406 -7.105 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.380 -8.652 0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.195 -7.169 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.283 -8.172 1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.682 -6.755 0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.753 -8.006 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -20.372 -9.070 -0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.254 -10.416 -0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -21.107 -10.332 1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -23.348 -9.991 1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -22.431 -8.583 2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.542 -8.664 0.947 1.00 0.00 H new ATOM 1343 N THR A 82 -17.620 -4.770 -0.137 1.00 0.00 N ATOM 1344 CA THR A 82 -17.504 -3.399 0.282 1.00 0.00 C ATOM 1345 C THR A 82 -16.080 -2.911 -0.026 1.00 0.00 C ATOM 1346 O THR A 82 -15.866 -2.279 -1.056 1.00 0.00 O ATOM 1347 CB THR A 82 -17.892 -3.368 1.766 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.254 -3.716 1.912 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.668 -1.996 2.372 1.00 0.00 C ATOM 0 H THR A 82 -16.746 -5.284 -0.021 1.00 0.00 H new ATOM 0 HA THR A 82 -18.165 -2.713 -0.248 1.00 0.00 H new ATOM 0 HB THR A 82 -17.259 -4.086 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.497 -3.697 2.861 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.954 -2.012 3.424 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.615 -1.728 2.286 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.274 -1.261 1.842 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.119 -3.204 0.859 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.704 -2.851 0.765 1.00 0.00 C ATOM 1359 C ARG A 83 -13.022 -3.190 2.094 1.00 0.00 C ATOM 1360 O ARG A 83 -12.413 -2.341 2.742 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.451 -1.385 0.359 1.00 0.00 C ATOM 1362 CG ARG A 83 -14.254 -0.355 1.168 1.00 0.00 C ATOM 1363 CD ARG A 83 -13.470 0.958 1.246 1.00 0.00 C ATOM 1364 NE ARG A 83 -14.312 2.063 1.722 1.00 0.00 N ATOM 1365 CZ ARG A 83 -13.854 3.281 2.046 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -12.539 3.524 2.077 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -14.720 4.258 2.332 1.00 0.00 N ATOM 0 H ARG A 83 -15.325 -3.726 1.711 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.270 -3.440 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -12.389 -1.168 0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.692 -1.267 -0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.223 -0.185 0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.447 -0.735 2.171 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.618 0.835 1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.070 1.202 0.262 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.314 1.892 1.812 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.878 2.780 1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.198 4.453 2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.723 4.075 2.303 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.378 5.187 2.579 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.145 -4.448 2.520 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.337 -4.958 3.617 1.00 0.00 C ATOM 1383 C GLY A 84 -10.878 -4.997 3.163 1.00 0.00 C ATOM 1384 O GLY A 84 -10.632 -4.894 1.965 1.00 0.00 O ATOM 0 H GLY A 84 -13.794 -5.126 2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.444 -4.321 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.672 -5.955 3.903 1.00 0.00 H new ATOM 1388 N ARG A 85 -9.924 -5.169 4.081 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.506 -5.305 3.765 1.00 0.00 C ATOM 1390 C ARG A 85 -7.961 -6.528 4.506 1.00 0.00 C ATOM 1391 O ARG A 85 -7.974 -6.546 5.736 1.00 0.00 O ATOM 1392 CB ARG A 85 -7.715 -4.026 4.114 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.463 -2.914 4.869 1.00 0.00 C ATOM 1394 CD ARG A 85 -8.890 -3.287 6.298 1.00 0.00 C ATOM 1395 NE ARG A 85 -10.353 -3.316 6.439 1.00 0.00 N ATOM 1396 CZ ARG A 85 -11.005 -3.557 7.586 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -10.327 -3.853 8.700 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -12.340 -3.494 7.611 1.00 0.00 N ATOM 0 H ARG A 85 -10.122 -5.218 5.080 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.386 -5.447 2.691 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.851 -4.317 4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.332 -3.603 3.185 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.826 -2.031 4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.350 -2.639 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.480 -4.263 6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.471 -2.568 7.002 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.913 -3.140 5.604 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.308 -3.896 8.681 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.829 -4.035 9.569 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.856 -3.264 6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.843 -3.676 8.479 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.509 -7.553 3.775 1.00 0.00 N ATOM 1413 CA LYS A 86 -6.966 -8.774 4.353 1.00 0.00 C ATOM 1414 C LYS A 86 -5.447 -8.800 4.228 1.00 0.00 C ATOM 1415 O LYS A 86 -4.885 -8.503 3.171 1.00 0.00 O ATOM 1416 CB LYS A 86 -7.591 -10.010 3.699 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.049 -10.255 4.110 1.00 0.00 C ATOM 1418 CD LYS A 86 -9.226 -10.685 5.579 1.00 0.00 C ATOM 1419 CE LYS A 86 -9.346 -9.514 6.572 1.00 0.00 C ATOM 1420 NZ LYS A 86 -10.417 -9.754 7.556 1.00 0.00 N ATOM 0 H LYS A 86 -7.513 -7.552 2.755 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.218 -8.791 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.542 -9.901 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.997 -10.887 3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.621 -9.343 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.473 -11.024 3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.118 -11.306 5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.378 -11.306 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.397 -9.375 7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.549 -8.592 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.474 -8.948 8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.325 -9.862 7.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.209 -10.621 8.091 1.00 0.00 H new ATOM 1434 N LEU A 87 -4.786 -9.173 5.326 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.343 -9.270 5.385 1.00 0.00 C ATOM 1436 C LEU A 87 -2.913 -10.486 4.559 1.00 0.00 C ATOM 1437 O LEU A 87 -2.820 -11.598 5.072 1.00 0.00 O ATOM 1438 CB LEU A 87 -2.941 -9.385 6.870 1.00 0.00 C ATOM 1439 CG LEU A 87 -1.457 -9.133 7.193 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -1.263 -9.201 8.714 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -0.503 -10.149 6.553 1.00 0.00 C ATOM 0 H LEU A 87 -5.250 -9.416 6.201 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.845 -8.395 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.541 -8.679 7.443 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.203 -10.384 7.220 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.214 -8.153 6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.215 -9.024 8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.879 -8.441 9.194 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.557 -10.187 9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.524 -9.906 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.746 -11.150 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.608 -10.114 5.469 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.600 -10.240 3.287 1.00 0.00 N ATOM 1454 CA LEU A 88 -1.917 -11.174 2.394 1.00 0.00 C ATOM 1455 C LEU A 88 -0.530 -10.611 2.021 1.00 0.00 C ATOM 1456 O LEU A 88 0.224 -11.224 1.268 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.789 -11.472 1.161 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.925 -12.497 1.317 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -3.426 -13.865 1.795 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -5.069 -11.995 2.200 1.00 0.00 C ATOM 0 H LEU A 88 -2.823 -9.353 2.835 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.759 -12.126 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.229 -10.532 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.133 -11.818 0.362 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.328 -12.627 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.270 -14.548 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.713 -14.265 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.939 -13.756 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.839 -12.764 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.688 -11.771 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.497 -11.093 1.763 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.174 -9.444 2.576 1.00 0.00 N ATOM 1473 CA ARG A 89 1.159 -8.876 2.513 1.00 0.00 C ATOM 1474 C ARG A 89 2.240 -9.803 3.070 1.00 0.00 C ATOM 1475 O ARG A 89 1.953 -10.779 3.756 1.00 0.00 O ATOM 1476 CB ARG A 89 1.220 -7.518 3.228 1.00 0.00 C ATOM 1477 CG ARG A 89 0.591 -7.474 4.619 1.00 0.00 C ATOM 1478 CD ARG A 89 0.861 -6.123 5.289 1.00 0.00 C ATOM 1479 NE ARG A 89 0.373 -4.985 4.488 1.00 0.00 N ATOM 1480 CZ ARG A 89 1.084 -4.277 3.597 1.00 0.00 C ATOM 1481 NH1 ARG A 89 2.338 -4.614 3.276 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.539 -3.197 3.037 1.00 0.00 N ATOM 0 H ARG A 89 -0.832 -8.861 3.093 1.00 0.00 H new ATOM 0 HA ARG A 89 1.368 -8.738 1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.265 -7.219 3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.725 -6.776 2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.484 -7.641 4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.996 -8.278 5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.382 -6.105 6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.932 -6.012 5.456 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.599 -4.709 4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.775 -5.426 3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.857 -4.059 2.595 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.409 -2.916 3.287 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.070 -2.651 2.358 1.00 0.00 H new ATOM 1496 N PHE A 90 3.491 -9.407 2.818 1.00 0.00 N ATOM 1497 CA PHE A 90 4.709 -10.047 3.291 1.00 0.00 C ATOM 1498 C PHE A 90 4.810 -11.501 2.822 1.00 0.00 C ATOM 1499 O PHE A 90 4.441 -12.426 3.539 1.00 0.00 O ATOM 1500 CB PHE A 90 4.846 -9.897 4.806 1.00 0.00 C ATOM 1501 CG PHE A 90 5.547 -8.624 5.223 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.950 -8.539 5.148 1.00 0.00 C ATOM 1503 CD2 PHE A 90 4.793 -7.502 5.597 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.594 -7.317 5.401 1.00 0.00 C ATOM 1505 CE2 PHE A 90 5.437 -6.286 5.880 1.00 0.00 C ATOM 1506 CZ PHE A 90 6.834 -6.188 5.757 1.00 0.00 C ATOM 0 H PHE A 90 3.685 -8.585 2.246 1.00 0.00 H new ATOM 0 HA PHE A 90 5.559 -9.533 2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.854 -9.921 5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 90 5.396 -10.752 5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.531 -9.414 4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.718 -7.573 5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.669 -7.244 5.323 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.860 -5.428 6.192 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.325 -5.243 5.936 1.00 0.00 H new ATOM 1516 N ASN A 91 5.348 -11.694 1.617 1.00 0.00 N ATOM 1517 CA ASN A 91 5.430 -12.973 0.934 1.00 0.00 C ATOM 1518 C ASN A 91 6.756 -13.054 0.170 1.00 0.00 C ATOM 1519 O ASN A 91 7.443 -12.042 -0.006 1.00 0.00 O ATOM 1520 CB ASN A 91 4.216 -13.101 0.005 1.00 0.00 C ATOM 1521 CG ASN A 91 3.838 -14.542 -0.319 1.00 0.00 C ATOM 1522 OD1 ASN A 91 4.654 -15.454 -0.220 1.00 0.00 O ATOM 1523 ND2 ASN A 91 2.585 -14.761 -0.706 1.00 0.00 N ATOM 0 H ASN A 91 5.752 -10.931 1.075 1.00 0.00 H new ATOM 0 HA ASN A 91 5.411 -13.803 1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.362 -12.607 0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.425 -12.572 -0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.279 -15.708 -0.930 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.930 -13.982 -0.779 1.00 0.00 H new ATOM 1530 N GLY A 92 7.114 -14.259 -0.272 1.00 0.00 N ATOM 1531 CA GLY A 92 8.381 -14.584 -0.907 1.00 0.00 C ATOM 1532 C GLY A 92 9.250 -15.365 0.084 1.00 0.00 C ATOM 1533 O GLY A 92 8.907 -16.507 0.386 1.00 0.00 O ATOM 0 H GLY A 92 6.498 -15.068 -0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.210 -15.176 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.891 -13.672 -1.218 1.00 0.00 H new ATOM 1537 N PRO A 93 10.337 -14.793 0.627 1.00 0.00 N ATOM 1538 CA PRO A 93 10.874 -13.473 0.327 1.00 0.00 C ATOM 1539 C PRO A 93 11.482 -13.450 -1.078 1.00 0.00 C ATOM 1540 O PRO A 93 11.609 -14.491 -1.720 1.00 0.00 O ATOM 1541 CB PRO A 93 11.938 -13.228 1.401 1.00 0.00 C ATOM 1542 CG PRO A 93 12.461 -14.636 1.691 1.00 0.00 C ATOM 1543 CD PRO A 93 11.199 -15.492 1.567 1.00 0.00 C ATOM 0 HA PRO A 93 10.108 -12.698 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.729 -12.569 1.043 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.514 -12.763 2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.228 -14.939 0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.904 -14.708 2.685 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.439 -16.493 1.208 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.709 -15.609 2.534 1.00 0.00 H new ATOM 1551 N VAL A 94 11.832 -12.257 -1.561 1.00 0.00 N ATOM 1552 CA VAL A 94 12.378 -12.033 -2.891 1.00 0.00 C ATOM 1553 C VAL A 94 13.820 -11.523 -2.742 1.00 0.00 C ATOM 1554 O VAL A 94 14.069 -10.617 -1.945 1.00 0.00 O ATOM 1555 CB VAL A 94 11.447 -11.058 -3.640 1.00 0.00 C ATOM 1556 CG1 VAL A 94 12.071 -10.445 -4.900 1.00 0.00 C ATOM 1557 CG2 VAL A 94 10.145 -11.787 -3.991 1.00 0.00 C ATOM 0 H VAL A 94 11.739 -11.398 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 94 12.424 -12.947 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 94 11.256 -10.219 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.355 -9.771 -5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.968 -9.889 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.335 -11.239 -5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.479 -11.107 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.368 -12.645 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.661 -12.129 -3.076 1.00 0.00 H new ATOM 1567 N PRO A 95 14.795 -12.100 -3.463 1.00 0.00 N ATOM 1568 CA PRO A 95 16.168 -11.625 -3.426 1.00 0.00 C ATOM 1569 C PRO A 95 16.278 -10.301 -4.193 1.00 0.00 C ATOM 1570 O PRO A 95 15.451 -10.024 -5.062 1.00 0.00 O ATOM 1571 CB PRO A 95 16.991 -12.732 -4.090 1.00 0.00 C ATOM 1572 CG PRO A 95 16.012 -13.328 -5.100 1.00 0.00 C ATOM 1573 CD PRO A 95 14.666 -13.224 -4.381 1.00 0.00 C ATOM 0 HA PRO A 95 16.522 -11.428 -2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.882 -12.336 -4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.327 -13.475 -3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 95 16.012 -12.772 -6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 95 16.261 -14.361 -5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.855 -13.059 -5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.437 -14.144 -3.843 1.00 0.00 H new ATOM 1581 N PRO A 96 17.282 -9.467 -3.890 1.00 0.00 N ATOM 1582 CA PRO A 96 17.462 -8.195 -4.567 1.00 0.00 C ATOM 1583 C PRO A 96 17.901 -8.384 -6.025 1.00 0.00 C ATOM 1584 O PRO A 96 18.493 -9.410 -6.362 1.00 0.00 O ATOM 1585 CB PRO A 96 18.497 -7.433 -3.735 1.00 0.00 C ATOM 1586 CG PRO A 96 19.323 -8.556 -3.105 1.00 0.00 C ATOM 1587 CD PRO A 96 18.286 -9.651 -2.857 1.00 0.00 C ATOM 0 HA PRO A 96 16.528 -7.636 -4.633 1.00 0.00 H new ATOM 0 HB2 PRO A 96 19.111 -6.779 -4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.025 -6.806 -2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 96 20.116 -8.895 -3.771 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.800 -8.235 -2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.737 -10.641 -2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.849 -9.561 -1.863 1.00 0.00 H new ATOM 1595 N PRO A 97 17.623 -7.398 -6.896 1.00 0.00 N ATOM 1596 CA PRO A 97 18.030 -7.421 -8.293 1.00 0.00 C ATOM 1597 C PRO A 97 19.517 -7.067 -8.443 1.00 0.00 C ATOM 1598 O PRO A 97 20.217 -6.994 -7.408 1.00 0.00 O ATOM 1599 CB PRO A 97 17.124 -6.382 -8.966 1.00 0.00 C ATOM 1600 CG PRO A 97 16.955 -5.329 -7.871 1.00 0.00 C ATOM 1601 CD PRO A 97 16.869 -6.187 -6.608 1.00 0.00 C ATOM 1602 OXT PRO A 97 19.930 -6.856 -9.604 1.00 0.00 O ATOM 0 HA PRO A 97 17.925 -8.407 -8.745 1.00 0.00 H new ATOM 0 HB2 PRO A 97 17.582 -5.965 -9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 97 16.168 -6.811 -9.267 1.00 0.00 H new ATOM 0 HG2 PRO A 97 17.797 -4.638 -7.837 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.057 -4.729 -8.018 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.287 -5.661 -5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.833 -6.421 -6.365 1.00 0.00 H new