USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=20 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 Set 1.1: A 62 GLN : amide:sc= 0.619 K(o=1.7,f=-0.58) USER MOD Set 1.2: A 64 TYR OH : rot 129:sc= 1.13 USER MOD Single : A 13 THR OG1 : rot 90:sc= 0.453 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=-0.088) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.061) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) 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 :FLIP amide:sc= -4.82! C(o=-6.7!,f=-4.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 43:sc=-0.00497 USER MOD Single : A 43 MET CE :methyl -120:sc= -0.182 (180deg=-0.481) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -131:sc= 0.741 (180deg=-0.488) USER MOD Single : A 46 THR OG1 : rot 18:sc= 1.14 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 147:sc= 0.255 USER MOD Single : A 66 TYR OH : rot -140:sc= 0.537 USER MOD Single : A 68 SER OG : rot 21:sc= 0.969 USER MOD Single : A 70 LYS NZ :NH3+ -166:sc=-0.00111 (180deg=-0.101) 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 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.729 K(o=0.73,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 27 N GLU A 3 -7.313 -5.909 -16.041 1.00 0.00 N ATOM 28 CA GLU A 3 -5.870 -6.035 -15.968 1.00 0.00 C ATOM 29 C GLU A 3 -5.326 -5.141 -14.853 1.00 0.00 C ATOM 30 O GLU A 3 -6.037 -4.337 -14.251 1.00 0.00 O ATOM 31 CB GLU A 3 -5.258 -5.656 -17.328 1.00 0.00 C ATOM 32 CG GLU A 3 -5.581 -6.683 -18.422 1.00 0.00 C ATOM 33 CD GLU A 3 -4.683 -7.915 -18.313 1.00 0.00 C ATOM 34 OE1 GLU A 3 -5.071 -8.845 -17.572 1.00 0.00 O ATOM 35 OE2 GLU A 3 -3.614 -7.893 -18.961 1.00 0.00 O ATOM 0 HA GLU A 3 -5.599 -7.065 -15.738 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.631 -4.677 -17.631 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.177 -5.567 -17.225 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.626 -6.984 -18.343 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.454 -6.224 -19.403 1.00 0.00 H new ATOM 42 N TRP A 4 -4.030 -5.296 -14.602 1.00 0.00 N ATOM 43 CA TRP A 4 -3.321 -4.492 -13.629 1.00 0.00 C ATOM 44 C TRP A 4 -3.293 -3.033 -14.074 1.00 0.00 C ATOM 45 O TRP A 4 -3.461 -2.735 -15.257 1.00 0.00 O ATOM 46 CB TRP A 4 -1.895 -5.018 -13.434 1.00 0.00 C ATOM 47 CG TRP A 4 -1.732 -6.424 -12.938 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.084 -7.566 -13.572 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.122 -6.841 -11.684 1.00 0.00 C ATOM 50 NE1 TRP A 4 -1.714 -8.653 -12.804 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.100 -8.263 -11.632 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.593 -6.145 -10.583 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.541 -8.962 -10.550 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.050 -6.831 -9.483 1.00 0.00 C ATOM 55 CH2 TRP A 4 0.001 -8.236 -9.474 1.00 0.00 C ATOM 0 H TRP A 4 -3.445 -5.987 -15.073 1.00 0.00 H new ATOM 0 HA TRP A 4 -3.845 -4.558 -12.675 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.374 -4.937 -14.388 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.386 -4.355 -12.735 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -2.578 -7.620 -14.531 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.875 -9.624 -13.071 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.604 -5.065 -10.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.527 -10.042 -10.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.331 -6.275 -8.639 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.455 -8.756 -8.644 1.00 0.00 H new ATOM 66 N GLU A 5 -3.056 -2.127 -13.125 1.00 0.00 N ATOM 67 CA GLU A 5 -2.944 -0.705 -13.390 1.00 0.00 C ATOM 68 C GLU A 5 -1.949 -0.081 -12.426 1.00 0.00 C ATOM 69 O GLU A 5 -1.669 -0.613 -11.346 1.00 0.00 O ATOM 70 CB GLU A 5 -4.329 -0.048 -13.294 1.00 0.00 C ATOM 71 CG GLU A 5 -4.415 1.448 -13.639 1.00 0.00 C ATOM 72 CD GLU A 5 -3.972 1.738 -15.070 1.00 0.00 C ATOM 73 OE1 GLU A 5 -2.740 1.762 -15.281 1.00 0.00 O ATOM 74 OE2 GLU A 5 -4.867 1.925 -15.922 1.00 0.00 O ATOM 0 H GLU A 5 -2.936 -2.370 -12.142 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.571 -0.542 -14.401 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.007 -0.588 -13.955 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.699 -0.184 -12.278 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.440 1.792 -13.501 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.793 2.015 -12.946 1.00 0.00 H new ATOM 81 N ILE A 6 -1.424 1.063 -12.859 1.00 0.00 N ATOM 82 CA ILE A 6 -0.498 1.866 -12.082 1.00 0.00 C ATOM 83 C ILE A 6 -1.164 2.307 -10.779 1.00 0.00 C ATOM 84 O ILE A 6 -2.371 2.543 -10.722 1.00 0.00 O ATOM 85 CB ILE A 6 0.051 3.067 -12.876 1.00 0.00 C ATOM 86 CG1 ILE A 6 -1.042 4.040 -13.356 1.00 0.00 C ATOM 87 CG2 ILE A 6 0.899 2.570 -14.058 1.00 0.00 C ATOM 88 CD1 ILE A 6 -0.485 5.440 -13.634 1.00 0.00 C ATOM 0 H ILE A 6 -1.637 1.460 -13.774 1.00 0.00 H new ATOM 0 HA ILE A 6 0.366 1.246 -11.843 1.00 0.00 H new ATOM 0 HB ILE A 6 0.676 3.639 -12.190 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.504 3.648 -14.262 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.826 4.105 -12.601 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.284 3.425 -14.615 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.733 1.976 -13.683 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.283 1.957 -14.715 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.291 6.092 -13.970 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.047 5.845 -12.722 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.280 5.380 -14.408 1.00 0.00 H new ATOM 100 N ILE A 7 -0.363 2.415 -9.724 1.00 0.00 N ATOM 101 CA ILE A 7 -0.830 2.860 -8.430 1.00 0.00 C ATOM 102 C ILE A 7 -0.848 4.395 -8.431 1.00 0.00 C ATOM 103 O ILE A 7 0.181 5.039 -8.256 1.00 0.00 O ATOM 104 CB ILE A 7 0.044 2.185 -7.358 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.600 2.166 -5.967 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.488 2.695 -7.330 1.00 0.00 C ATOM 107 CD1 ILE A 7 -0.460 3.474 -5.195 1.00 0.00 C ATOM 0 H ILE A 7 0.632 2.193 -9.750 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.853 2.565 -8.198 1.00 0.00 H new ATOM 0 HB ILE A 7 0.106 1.143 -7.672 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.659 1.931 -6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.152 1.362 -5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.043 2.174 -6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.958 2.509 -8.296 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.492 3.765 -7.124 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.942 3.376 -4.222 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.597 3.702 -5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.934 4.280 -5.755 1.00 0.00 H new ATOM 119 N ASP A 8 -2.021 4.995 -8.654 1.00 0.00 N ATOM 120 CA ASP A 8 -2.198 6.447 -8.703 1.00 0.00 C ATOM 121 C ASP A 8 -2.943 6.954 -7.468 1.00 0.00 C ATOM 122 O ASP A 8 -3.798 7.830 -7.562 1.00 0.00 O ATOM 123 CB ASP A 8 -2.922 6.826 -10.005 1.00 0.00 C ATOM 124 CG ASP A 8 -4.368 6.327 -10.062 1.00 0.00 C ATOM 125 OD1 ASP A 8 -4.620 5.217 -9.539 1.00 0.00 O ATOM 126 OD2 ASP A 8 -5.197 7.059 -10.644 1.00 0.00 O ATOM 0 H ASP A 8 -2.886 4.477 -8.808 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.221 6.930 -8.696 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.915 7.911 -10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.370 6.417 -10.851 1.00 0.00 H new ATOM 131 N ILE A 9 -2.602 6.393 -6.307 1.00 0.00 N ATOM 132 CA ILE A 9 -3.215 6.709 -5.020 1.00 0.00 C ATOM 133 C ILE A 9 -2.260 7.560 -4.173 1.00 0.00 C ATOM 134 O ILE A 9 -1.213 7.993 -4.648 1.00 0.00 O ATOM 135 CB ILE A 9 -3.659 5.400 -4.324 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.293 4.385 -5.290 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.675 5.665 -3.204 1.00 0.00 C ATOM 138 CD1 ILE A 9 -5.549 4.980 -5.950 1.00 0.00 C ATOM 0 H ILE A 9 -1.870 5.686 -6.236 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.112 7.312 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.739 4.981 -3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.571 4.104 -6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.555 3.475 -4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.961 4.720 -2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.227 6.316 -2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.559 6.147 -3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.984 4.248 -6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.277 5.238 -5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.277 5.876 -6.507 1.00 0.00 H new ATOM 150 N GLY A 10 -2.628 7.807 -2.911 1.00 0.00 N ATOM 151 CA GLY A 10 -1.902 8.674 -1.994 1.00 0.00 C ATOM 152 C GLY A 10 -2.220 8.265 -0.555 1.00 0.00 C ATOM 153 O GLY A 10 -1.443 7.527 0.055 1.00 0.00 O ATOM 0 H GLY A 10 -3.463 7.395 -2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.830 8.600 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.183 9.714 -2.159 1.00 0.00 H new ATOM 157 N PRO A 11 -3.386 8.666 -0.022 1.00 0.00 N ATOM 158 CA PRO A 11 -3.792 8.279 1.316 1.00 0.00 C ATOM 159 C PRO A 11 -3.806 6.757 1.437 1.00 0.00 C ATOM 160 O PRO A 11 -3.167 6.214 2.327 1.00 0.00 O ATOM 161 CB PRO A 11 -5.168 8.913 1.550 1.00 0.00 C ATOM 162 CG PRO A 11 -5.699 9.187 0.142 1.00 0.00 C ATOM 163 CD PRO A 11 -4.429 9.447 -0.671 1.00 0.00 C ATOM 0 HA PRO A 11 -3.098 8.629 2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.827 8.242 2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.090 9.831 2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.259 8.338 -0.249 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.370 10.046 0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.559 9.143 -1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.178 10.508 -0.679 1.00 0.00 H new ATOM 171 N PHE A 12 -4.493 6.061 0.526 1.00 0.00 N ATOM 172 CA PHE A 12 -4.627 4.609 0.590 1.00 0.00 C ATOM 173 C PHE A 12 -3.254 3.917 0.591 1.00 0.00 C ATOM 174 O PHE A 12 -3.042 3.002 1.377 1.00 0.00 O ATOM 175 CB PHE A 12 -5.525 4.100 -0.547 1.00 0.00 C ATOM 176 CG PHE A 12 -6.471 2.965 -0.209 1.00 0.00 C ATOM 177 CD1 PHE A 12 -5.952 1.688 0.066 1.00 0.00 C ATOM 178 CD2 PHE A 12 -7.863 3.130 -0.357 1.00 0.00 C ATOM 179 CE1 PHE A 12 -6.809 0.585 0.205 1.00 0.00 C ATOM 180 CE2 PHE A 12 -8.722 2.024 -0.228 1.00 0.00 C ATOM 181 CZ PHE A 12 -8.196 0.754 0.058 1.00 0.00 C ATOM 0 H PHE A 12 -4.967 6.488 -0.270 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.109 4.352 1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.117 4.938 -0.915 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.885 3.777 -1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.885 1.554 0.171 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.271 4.107 -0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.403 -0.391 0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.788 2.152 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.858 -0.093 0.165 1.00 0.00 H new ATOM 191 N THR A 13 -2.313 4.332 -0.271 1.00 0.00 N ATOM 192 CA THR A 13 -0.987 3.706 -0.322 1.00 0.00 C ATOM 193 C THR A 13 -0.227 3.944 0.981 1.00 0.00 C ATOM 194 O THR A 13 0.402 3.019 1.498 1.00 0.00 O ATOM 195 CB THR A 13 -0.180 4.091 -1.579 1.00 0.00 C ATOM 196 OG1 THR A 13 1.115 3.506 -1.621 1.00 0.00 O ATOM 197 CG2 THR A 13 -0.029 5.593 -1.812 1.00 0.00 C ATOM 0 H THR A 13 -2.446 5.093 -0.937 1.00 0.00 H new ATOM 0 HA THR A 13 -1.138 2.631 -0.417 1.00 0.00 H new ATOM 0 HB THR A 13 -0.796 3.683 -2.380 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.068 2.639 -2.075 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.553 5.764 -2.718 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.015 6.045 -1.923 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.483 6.043 -0.962 1.00 0.00 H new ATOM 205 N GLN A 14 -0.275 5.163 1.524 1.00 0.00 N ATOM 206 CA GLN A 14 0.348 5.410 2.812 1.00 0.00 C ATOM 207 C GLN A 14 -0.310 4.548 3.893 1.00 0.00 C ATOM 208 O GLN A 14 0.368 3.864 4.656 1.00 0.00 O ATOM 209 CB GLN A 14 0.260 6.904 3.132 1.00 0.00 C ATOM 210 CG GLN A 14 1.495 7.698 2.675 1.00 0.00 C ATOM 211 CD GLN A 14 1.150 8.763 1.637 1.00 0.00 C ATOM 212 OE1 GLN A 14 0.457 9.729 1.939 1.00 0.00 O ATOM 213 NE2 GLN A 14 1.645 8.614 0.412 1.00 0.00 N ATOM 0 H GLN A 14 -0.729 5.972 1.099 1.00 0.00 H new ATOM 0 HA GLN A 14 1.401 5.131 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.627 7.319 2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.132 7.031 4.207 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.958 8.174 3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.231 7.011 2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.218 7.800 0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.451 9.313 -0.305 1.00 0.00 H new ATOM 222 N ASN A 15 -1.640 4.561 3.943 1.00 0.00 N ATOM 223 CA ASN A 15 -2.418 3.817 4.922 1.00 0.00 C ATOM 224 C ASN A 15 -2.171 2.318 4.795 1.00 0.00 C ATOM 225 O ASN A 15 -2.182 1.606 5.789 1.00 0.00 O ATOM 226 CB ASN A 15 -3.909 4.129 4.764 1.00 0.00 C ATOM 227 CG ASN A 15 -4.632 4.040 6.105 1.00 0.00 C ATOM 228 OD1 ASN A 15 -4.314 4.775 7.033 1.00 0.00 O ATOM 229 ND2 ASN A 15 -5.622 3.162 6.229 1.00 0.00 N ATOM 0 H ASN A 15 -2.213 5.098 3.293 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.098 4.127 5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.033 5.128 4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.358 3.430 4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.133 3.091 7.109 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.871 2.560 5.444 1.00 0.00 H new ATOM 236 N LEU A 16 -1.943 1.841 3.572 1.00 0.00 N ATOM 237 CA LEU A 16 -1.556 0.461 3.286 1.00 0.00 C ATOM 238 C LEU A 16 -0.188 0.161 3.884 1.00 0.00 C ATOM 239 O LEU A 16 -0.034 -0.836 4.596 1.00 0.00 O ATOM 240 CB LEU A 16 -1.525 0.196 1.770 1.00 0.00 C ATOM 241 CG LEU A 16 -2.865 -0.281 1.203 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.884 -0.138 -0.322 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.095 -1.742 1.570 1.00 0.00 C ATOM 0 H LEU A 16 -2.024 2.417 2.734 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.301 -0.194 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.227 1.110 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.762 -0.553 1.556 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.656 0.335 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.844 -0.482 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.738 0.908 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.083 -0.739 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.050 -2.073 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.293 -2.352 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.107 -1.847 2.655 1.00 0.00 H new ATOM 255 N ALA A 17 0.808 1.000 3.582 1.00 0.00 N ATOM 256 CA ALA A 17 2.135 0.841 4.162 1.00 0.00 C ATOM 257 C ALA A 17 2.014 0.767 5.685 1.00 0.00 C ATOM 258 O ALA A 17 2.559 -0.140 6.316 1.00 0.00 O ATOM 259 CB ALA A 17 3.042 1.986 3.709 1.00 0.00 C ATOM 0 H ALA A 17 0.717 1.790 2.943 1.00 0.00 H new ATOM 0 HA ALA A 17 2.590 -0.087 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.032 1.861 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.122 1.979 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.619 2.936 4.035 1.00 0.00 H new ATOM 265 N LYS A 18 1.246 1.694 6.265 1.00 0.00 N ATOM 266 CA LYS A 18 0.970 1.678 7.688 1.00 0.00 C ATOM 267 C LYS A 18 0.284 0.378 8.116 1.00 0.00 C ATOM 268 O LYS A 18 0.723 -0.219 9.090 1.00 0.00 O ATOM 269 CB LYS A 18 0.171 2.917 8.123 1.00 0.00 C ATOM 270 CG LYS A 18 0.972 3.816 9.075 1.00 0.00 C ATOM 271 CD LYS A 18 1.364 3.077 10.369 1.00 0.00 C ATOM 272 CE LYS A 18 1.851 4.047 11.452 1.00 0.00 C ATOM 273 NZ LYS A 18 0.739 4.814 12.040 1.00 0.00 N ATOM 0 H LYS A 18 0.807 2.464 5.761 1.00 0.00 H new ATOM 0 HA LYS A 18 1.929 1.718 8.205 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.118 3.490 7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.750 2.600 8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.872 4.168 8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.381 4.697 9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.507 2.516 10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.148 2.352 10.151 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.362 3.489 12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.580 4.735 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.078 5.330 12.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.375 5.491 11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.022 4.163 12.320 1.00 0.00 H new ATOM 287 N PHE A 19 -0.769 -0.061 7.413 1.00 0.00 N ATOM 288 CA PHE A 19 -1.508 -1.283 7.725 1.00 0.00 C ATOM 289 C PHE A 19 -0.520 -2.441 7.880 1.00 0.00 C ATOM 290 O PHE A 19 -0.567 -3.139 8.894 1.00 0.00 O ATOM 291 CB PHE A 19 -2.567 -1.612 6.655 1.00 0.00 C ATOM 292 CG PHE A 19 -3.522 -2.764 6.984 1.00 0.00 C ATOM 293 CD1 PHE A 19 -3.059 -4.097 7.021 1.00 0.00 C ATOM 294 CD2 PHE A 19 -4.899 -2.518 7.159 1.00 0.00 C ATOM 295 CE1 PHE A 19 -3.953 -5.159 7.257 1.00 0.00 C ATOM 296 CE2 PHE A 19 -5.798 -3.588 7.351 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.333 -4.916 7.374 1.00 0.00 C ATOM 0 H PHE A 19 -1.134 0.434 6.599 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.046 -1.127 8.660 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.160 -0.716 6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.052 -1.848 5.724 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.010 -4.304 6.867 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.268 -1.503 7.146 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.576 -6.167 7.349 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.851 -3.387 7.481 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.026 -5.737 7.480 1.00 0.00 H new ATOM 307 N ALA A 20 0.357 -2.639 6.885 1.00 0.00 N ATOM 308 CA ALA A 20 1.334 -3.718 6.964 1.00 0.00 C ATOM 309 C ALA A 20 2.074 -3.689 8.293 1.00 0.00 C ATOM 310 O ALA A 20 2.143 -4.705 8.973 1.00 0.00 O ATOM 311 CB ALA A 20 2.381 -3.669 5.829 1.00 0.00 C ATOM 0 H ALA A 20 0.405 -2.076 6.036 1.00 0.00 H new ATOM 0 HA ALA A 20 0.759 -4.639 6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.080 -4.498 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.877 -3.749 4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.925 -2.726 5.877 1.00 0.00 H new ATOM 317 N VAL A 21 2.630 -2.534 8.669 1.00 0.00 N ATOM 318 CA VAL A 21 3.366 -2.443 9.916 1.00 0.00 C ATOM 319 C VAL A 21 2.394 -2.651 11.078 1.00 0.00 C ATOM 320 O VAL A 21 2.510 -3.632 11.804 1.00 0.00 O ATOM 321 CB VAL A 21 4.144 -1.119 9.979 1.00 0.00 C ATOM 322 CG1 VAL A 21 5.040 -1.116 11.227 1.00 0.00 C ATOM 323 CG2 VAL A 21 4.995 -0.892 8.717 1.00 0.00 C ATOM 0 H VAL A 21 2.582 -1.667 8.133 1.00 0.00 H new ATOM 0 HA VAL A 21 4.120 -3.227 9.985 1.00 0.00 H new ATOM 0 HB VAL A 21 3.423 -0.304 10.035 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.594 -0.178 11.275 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.422 -1.219 12.119 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.741 -1.949 11.174 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.528 0.055 8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.714 -1.705 8.612 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.347 -0.865 7.841 1.00 0.00 H new ATOM 333 N ASP A 22 1.442 -1.732 11.236 1.00 0.00 N ATOM 334 CA ASP A 22 0.485 -1.653 12.328 1.00 0.00 C ATOM 335 C ASP A 22 -0.171 -2.997 12.639 1.00 0.00 C ATOM 336 O ASP A 22 -0.091 -3.469 13.769 1.00 0.00 O ATOM 337 CB ASP A 22 -0.582 -0.606 11.989 1.00 0.00 C ATOM 338 CG ASP A 22 -1.645 -0.528 13.080 1.00 0.00 C ATOM 339 OD1 ASP A 22 -1.318 0.032 14.149 1.00 0.00 O ATOM 340 OD2 ASP A 22 -2.759 -1.034 12.825 1.00 0.00 O ATOM 0 H ASP A 22 1.315 -0.978 10.561 1.00 0.00 H new ATOM 0 HA ASP A 22 1.031 -1.360 13.225 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.112 0.370 11.866 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.051 -0.856 11.038 1.00 0.00 H new ATOM 345 N GLU A 23 -0.848 -3.601 11.661 1.00 0.00 N ATOM 346 CA GLU A 23 -1.652 -4.782 11.901 1.00 0.00 C ATOM 347 C GLU A 23 -0.729 -5.940 12.276 1.00 0.00 C ATOM 348 O GLU A 23 -0.957 -6.635 13.265 1.00 0.00 O ATOM 349 CB GLU A 23 -2.507 -5.060 10.654 1.00 0.00 C ATOM 350 CG GLU A 23 -3.973 -5.344 10.987 1.00 0.00 C ATOM 351 CD GLU A 23 -4.196 -6.731 11.575 1.00 0.00 C ATOM 352 OE1 GLU A 23 -4.094 -6.846 12.814 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.479 -7.647 10.773 1.00 0.00 O ATOM 0 H GLU A 23 -0.850 -3.283 10.692 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.340 -4.641 12.735 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.452 -4.202 9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.090 -5.912 10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.330 -4.595 11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.571 -5.239 10.082 1.00 0.00 H new ATOM 360 N GLU A 24 0.360 -6.112 11.521 1.00 0.00 N ATOM 361 CA GLU A 24 1.338 -7.138 11.833 1.00 0.00 C ATOM 362 C GLU A 24 1.921 -6.913 13.238 1.00 0.00 C ATOM 363 O GLU A 24 2.183 -7.875 13.959 1.00 0.00 O ATOM 364 CB GLU A 24 2.409 -7.176 10.736 1.00 0.00 C ATOM 365 CG GLU A 24 3.096 -8.540 10.670 1.00 0.00 C ATOM 366 CD GLU A 24 2.194 -9.570 9.994 1.00 0.00 C ATOM 367 OE1 GLU A 24 2.045 -9.463 8.757 1.00 0.00 O ATOM 368 OE2 GLU A 24 1.672 -10.437 10.726 1.00 0.00 O ATOM 0 H GLU A 24 0.579 -5.554 10.696 1.00 0.00 H new ATOM 0 HA GLU A 24 0.861 -8.118 11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.952 -6.951 9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.153 -6.402 10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.033 -8.454 10.120 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.347 -8.875 11.677 1.00 0.00 H new ATOM 375 N ASN A 25 2.099 -5.647 13.633 1.00 0.00 N ATOM 376 CA ASN A 25 2.547 -5.268 14.968 1.00 0.00 C ATOM 377 C ASN A 25 1.530 -5.686 16.024 1.00 0.00 C ATOM 378 O ASN A 25 1.899 -6.314 17.010 1.00 0.00 O ATOM 379 CB ASN A 25 2.814 -3.755 15.074 1.00 0.00 C ATOM 380 CG ASN A 25 4.123 -3.478 15.798 1.00 0.00 C ATOM 381 OD1 ASN A 25 4.139 -3.096 16.962 1.00 0.00 O ATOM 382 ND2 ASN A 25 5.239 -3.660 15.096 1.00 0.00 N ATOM 0 H ASN A 25 1.932 -4.848 13.021 1.00 0.00 H new ATOM 0 HA ASN A 25 3.485 -5.793 15.148 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.848 -3.318 14.076 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.993 -3.274 15.605 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.147 -3.480 15.525 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.187 -3.979 14.129 1.00 0.00 H new ATOM 389 N LYS A 26 0.253 -5.330 15.833 1.00 0.00 N ATOM 390 CA LYS A 26 -0.779 -5.609 16.826 1.00 0.00 C ATOM 391 C LYS A 26 -0.991 -7.117 16.966 1.00 0.00 C ATOM 392 O LYS A 26 -1.228 -7.607 18.066 1.00 0.00 O ATOM 393 CB LYS A 26 -2.057 -4.784 16.574 1.00 0.00 C ATOM 394 CG LYS A 26 -3.148 -5.406 15.688 1.00 0.00 C ATOM 395 CD LYS A 26 -3.937 -6.525 16.391 1.00 0.00 C ATOM 396 CE LYS A 26 -5.423 -6.483 16.017 1.00 0.00 C ATOM 397 NZ LYS A 26 -6.158 -7.601 16.636 1.00 0.00 N ATOM 0 H LYS A 26 -0.085 -4.849 14.999 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.440 -5.271 17.805 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.503 -4.553 17.541 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.761 -3.836 16.125 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.840 -4.625 15.373 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.688 -5.807 14.785 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.519 -7.494 16.118 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.829 -6.425 17.471 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.856 -5.536 16.340 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.530 -6.529 14.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.161 -7.549 16.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.758 -8.503 16.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.074 -7.541 17.671 1.00 0.00 H new ATOM 411 N ILE A 27 -0.884 -7.859 15.858 1.00 0.00 N ATOM 412 CA ILE A 27 -0.840 -9.317 15.908 1.00 0.00 C ATOM 413 C ILE A 27 0.420 -9.746 16.668 1.00 0.00 C ATOM 414 O ILE A 27 0.372 -10.642 17.510 1.00 0.00 O ATOM 415 CB ILE A 27 -0.873 -9.911 14.487 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.197 -9.597 13.773 1.00 0.00 C ATOM 417 CG2 ILE A 27 -0.703 -11.436 14.559 1.00 0.00 C ATOM 418 CD1 ILE A 27 -2.063 -9.715 12.242 1.00 0.00 C ATOM 0 H ILE A 27 -0.827 -7.469 14.917 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.717 -9.697 16.432 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.057 -9.460 13.922 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.970 -10.280 14.124 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.520 -8.589 14.033 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.727 -11.853 13.552 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.252 -11.674 15.028 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.513 -11.865 15.148 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.020 -9.485 11.774 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.308 -9.013 11.888 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.765 -10.730 11.980 1.00 0.00 H new ATOM 430 N GLY A 28 1.558 -9.135 16.335 1.00 0.00 N ATOM 431 CA GLY A 28 2.854 -9.467 16.898 1.00 0.00 C ATOM 432 C GLY A 28 3.370 -10.776 16.306 1.00 0.00 C ATOM 433 O GLY A 28 4.013 -11.562 16.997 1.00 0.00 O ATOM 0 H GLY A 28 1.598 -8.380 15.651 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.563 -8.664 16.695 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.775 -9.556 17.981 1.00 0.00 H new ATOM 437 N GLN A 29 3.088 -11.015 15.021 1.00 0.00 N ATOM 438 CA GLN A 29 3.496 -12.243 14.351 1.00 0.00 C ATOM 439 C GLN A 29 4.965 -12.162 13.945 1.00 0.00 C ATOM 440 O GLN A 29 5.736 -13.085 14.190 1.00 0.00 O ATOM 441 CB GLN A 29 2.589 -12.514 13.136 1.00 0.00 C ATOM 442 CG GLN A 29 2.180 -13.990 13.023 1.00 0.00 C ATOM 443 CD GLN A 29 0.946 -14.331 13.860 1.00 0.00 C ATOM 444 OE1 GLN A 29 1.036 -14.271 15.186 1.00 0.00 O flip ATOM 445 NE2 GLN A 29 -0.105 -14.646 13.314 1.00 0.00 N flip ATOM 0 H GLN A 29 2.575 -10.366 14.425 1.00 0.00 H new ATOM 0 HA GLN A 29 3.387 -13.079 15.042 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.693 -11.897 13.211 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.108 -12.214 12.226 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.981 -14.228 11.978 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.013 -14.618 13.340 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.159 -14.688 12.296 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.926 -14.867 13.877 1.00 0.00 H new ATOM 454 N TYR A 30 5.328 -11.060 13.286 1.00 0.00 N ATOM 455 CA TYR A 30 6.675 -10.784 12.814 1.00 0.00 C ATOM 456 C TYR A 30 6.888 -9.279 12.946 1.00 0.00 C ATOM 457 O TYR A 30 7.813 -8.819 13.608 1.00 0.00 O ATOM 458 CB TYR A 30 6.902 -11.299 11.376 1.00 0.00 C ATOM 459 CG TYR A 30 5.772 -12.082 10.721 1.00 0.00 C ATOM 460 CD1 TYR A 30 5.594 -13.447 11.020 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.947 -11.471 9.758 1.00 0.00 C ATOM 462 CE1 TYR A 30 4.538 -14.166 10.433 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.924 -12.206 9.134 1.00 0.00 C ATOM 464 CZ TYR A 30 3.691 -13.540 9.505 1.00 0.00 C ATOM 465 OH TYR A 30 2.634 -14.225 8.986 1.00 0.00 O ATOM 0 H TYR A 30 4.668 -10.315 13.062 1.00 0.00 H new ATOM 0 HA TYR A 30 7.413 -11.318 13.413 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.127 -10.440 10.743 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.790 -11.932 11.382 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.270 -13.942 11.701 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.100 -10.434 9.498 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.378 -15.201 10.696 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.317 -11.744 8.369 1.00 0.00 H new ATOM 0 HH TYR A 30 2.147 -13.650 8.360 1.00 0.00 H new ATOM 475 N GLY A 31 5.974 -8.522 12.335 1.00 0.00 N ATOM 476 CA GLY A 31 6.009 -7.070 12.337 1.00 0.00 C ATOM 477 C GLY A 31 6.893 -6.609 11.188 1.00 0.00 C ATOM 478 O GLY A 31 7.689 -7.392 10.671 1.00 0.00 O ATOM 0 H GLY A 31 5.183 -8.911 11.821 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.003 -6.666 12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.398 -6.701 13.286 1.00 0.00 H new ATOM 482 N ARG A 32 6.781 -5.346 10.761 1.00 0.00 N ATOM 483 CA ARG A 32 7.534 -4.871 9.612 1.00 0.00 C ATOM 484 C ARG A 32 8.957 -4.487 10.010 1.00 0.00 C ATOM 485 O ARG A 32 9.452 -3.425 9.648 1.00 0.00 O ATOM 486 CB ARG A 32 6.768 -3.760 8.887 1.00 0.00 C ATOM 487 CG ARG A 32 7.257 -3.548 7.447 1.00 0.00 C ATOM 488 CD ARG A 32 8.089 -2.270 7.227 1.00 0.00 C ATOM 489 NE ARG A 32 7.336 -1.221 6.529 1.00 0.00 N ATOM 490 CZ ARG A 32 7.871 -0.066 6.106 1.00 0.00 C ATOM 491 NH1 ARG A 32 9.142 0.236 6.400 1.00 0.00 N ATOM 492 NH2 ARG A 32 7.127 0.781 5.388 1.00 0.00 N ATOM 0 H ARG A 32 6.180 -4.645 11.195 1.00 0.00 H new ATOM 0 HA ARG A 32 7.641 -5.682 8.891 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.706 -4.005 8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.873 -2.829 9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.856 -4.409 7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.391 -3.519 6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.426 -1.890 8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.981 -2.516 6.651 1.00 0.00 H new ATOM 0 HE ARG A 32 6.344 -1.380 6.355 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.707 -0.413 6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.545 1.115 6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.159 0.547 5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.527 1.661 5.063 1.00 0.00 H new ATOM 506 N LEU A 33 9.633 -5.404 10.705 1.00 0.00 N ATOM 507 CA LEU A 33 11.046 -5.341 10.988 1.00 0.00 C ATOM 508 C LEU A 33 11.350 -3.966 11.583 1.00 0.00 C ATOM 509 O LEU A 33 10.748 -3.611 12.598 1.00 0.00 O ATOM 510 CB LEU A 33 11.791 -5.734 9.707 1.00 0.00 C ATOM 511 CG LEU A 33 11.376 -7.141 9.208 1.00 0.00 C ATOM 512 CD1 LEU A 33 11.171 -7.133 7.698 1.00 0.00 C ATOM 513 CD2 LEU A 33 12.419 -8.206 9.538 1.00 0.00 C ATOM 0 H LEU A 33 9.186 -6.234 11.094 1.00 0.00 H new ATOM 0 HA LEU A 33 11.393 -6.046 11.744 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.589 -4.998 8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.865 -5.716 9.891 1.00 0.00 H new ATOM 0 HG LEU A 33 10.447 -7.386 9.723 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.880 -8.129 7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.387 -6.421 7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.100 -6.843 7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.081 -9.174 9.167 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.366 -7.947 9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.556 -8.259 10.618 1.00 0.00 H new ATOM 525 N THR A 34 12.258 -3.200 10.984 1.00 0.00 N ATOM 526 CA THR A 34 12.451 -1.799 11.355 1.00 0.00 C ATOM 527 C THR A 34 11.881 -0.914 10.237 1.00 0.00 C ATOM 528 O THR A 34 11.819 -1.354 9.094 1.00 0.00 O ATOM 529 CB THR A 34 13.931 -1.565 11.683 1.00 0.00 C ATOM 530 OG1 THR A 34 14.122 -0.281 12.231 1.00 0.00 O ATOM 531 CG2 THR A 34 14.853 -1.733 10.465 1.00 0.00 C ATOM 0 H THR A 34 12.873 -3.526 10.238 1.00 0.00 H new ATOM 0 HA THR A 34 11.907 -1.529 12.260 1.00 0.00 H new ATOM 0 HB THR A 34 14.201 -2.330 12.411 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.072 -0.151 12.435 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.886 -1.554 10.763 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.758 -2.746 10.074 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.570 -1.018 9.693 1.00 0.00 H new ATOM 539 N PHE A 35 11.444 0.316 10.536 1.00 0.00 N ATOM 540 CA PHE A 35 11.102 1.315 9.529 1.00 0.00 C ATOM 541 C PHE A 35 12.263 1.636 8.579 1.00 0.00 C ATOM 542 O PHE A 35 12.960 2.634 8.739 1.00 0.00 O ATOM 543 CB PHE A 35 10.588 2.597 10.191 1.00 0.00 C ATOM 544 CG PHE A 35 9.197 2.480 10.777 1.00 0.00 C ATOM 545 CD1 PHE A 35 8.120 2.163 9.931 1.00 0.00 C ATOM 546 CD2 PHE A 35 8.958 2.773 12.134 1.00 0.00 C ATOM 547 CE1 PHE A 35 6.819 2.099 10.444 1.00 0.00 C ATOM 548 CE2 PHE A 35 7.646 2.734 12.641 1.00 0.00 C ATOM 549 CZ PHE A 35 6.575 2.397 11.795 1.00 0.00 C ATOM 0 H PHE A 35 11.319 0.644 11.494 1.00 0.00 H new ATOM 0 HA PHE A 35 10.310 0.878 8.921 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.280 2.886 10.982 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.593 3.400 9.454 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.297 1.968 8.883 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.781 3.027 12.785 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.000 1.819 9.798 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.462 2.963 13.680 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.567 2.367 12.183 1.00 0.00 H new ATOM 559 N ASN A 36 12.407 0.795 7.559 1.00 0.00 N ATOM 560 CA ASN A 36 13.246 0.950 6.385 1.00 0.00 C ATOM 561 C ASN A 36 12.424 1.729 5.356 1.00 0.00 C ATOM 562 O ASN A 36 12.217 2.921 5.568 1.00 0.00 O ATOM 563 CB ASN A 36 13.773 -0.417 5.900 1.00 0.00 C ATOM 564 CG ASN A 36 13.073 -1.611 6.546 1.00 0.00 C ATOM 565 OD1 ASN A 36 11.753 -1.735 6.366 1.00 0.00 O flip ATOM 566 ND2 ASN A 36 13.710 -2.431 7.209 1.00 0.00 N flip ATOM 0 H ASN A 36 11.894 -0.086 7.535 1.00 0.00 H new ATOM 0 HA ASN A 36 14.153 1.517 6.593 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.654 -0.479 4.818 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.841 -0.478 6.107 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.716 -2.316 7.333 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.231 -3.225 7.634 1.00 0.00 H new ATOM 573 N LYS A 37 11.918 1.118 4.272 1.00 0.00 N ATOM 574 CA LYS A 37 11.235 1.892 3.240 1.00 0.00 C ATOM 575 C LYS A 37 10.427 0.985 2.314 1.00 0.00 C ATOM 576 O LYS A 37 10.284 -0.207 2.565 1.00 0.00 O ATOM 577 CB LYS A 37 12.236 2.809 2.499 1.00 0.00 C ATOM 578 CG LYS A 37 13.464 2.098 1.902 1.00 0.00 C ATOM 579 CD LYS A 37 14.752 2.815 2.347 1.00 0.00 C ATOM 580 CE LYS A 37 15.982 2.333 1.566 1.00 0.00 C ATOM 581 NZ LYS A 37 17.201 3.035 2.006 1.00 0.00 N ATOM 0 H LYS A 37 11.970 0.115 4.095 1.00 0.00 H new ATOM 0 HA LYS A 37 10.506 2.552 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.707 3.321 1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.582 3.576 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.486 1.058 2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.398 2.092 0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.634 3.890 2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.911 2.646 3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.107 1.259 1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.828 2.500 0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.017 2.689 1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.089 4.057 1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.359 2.855 3.018 1.00 0.00 H new ATOM 595 N VAL A 38 9.866 1.561 1.251 1.00 0.00 N ATOM 596 CA VAL A 38 9.092 0.883 0.218 1.00 0.00 C ATOM 597 C VAL A 38 9.699 1.280 -1.131 1.00 0.00 C ATOM 598 O VAL A 38 10.134 2.423 -1.272 1.00 0.00 O ATOM 599 CB VAL A 38 7.613 1.237 0.409 1.00 0.00 C ATOM 600 CG1 VAL A 38 7.344 2.741 0.344 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.692 0.510 -0.567 1.00 0.00 C ATOM 0 H VAL A 38 9.945 2.564 1.081 1.00 0.00 H new ATOM 0 HA VAL A 38 9.135 -0.205 0.272 1.00 0.00 H new ATOM 0 HB VAL A 38 7.381 0.892 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.279 2.927 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.908 3.246 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.652 3.124 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.659 0.804 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.965 0.773 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.794 -0.567 -0.430 1.00 0.00 H new ATOM 611 N ILE A 39 9.755 0.361 -2.102 1.00 0.00 N ATOM 612 CA ILE A 39 10.193 0.725 -3.445 1.00 0.00 C ATOM 613 C ILE A 39 8.990 1.270 -4.220 1.00 0.00 C ATOM 614 O ILE A 39 7.841 1.055 -3.833 1.00 0.00 O ATOM 615 CB ILE A 39 10.890 -0.445 -4.158 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.936 -1.607 -4.468 1.00 0.00 C ATOM 617 CG2 ILE A 39 12.090 -0.953 -3.350 1.00 0.00 C ATOM 618 CD1 ILE A 39 9.767 -1.795 -5.976 1.00 0.00 C ATOM 0 H ILE A 39 9.507 -0.621 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 39 10.949 1.508 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 39 11.243 -0.050 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.321 -2.525 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.965 -1.416 -4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.562 -1.780 -3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.811 -0.145 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.752 -1.295 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.086 -2.625 -6.165 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.359 -0.884 -6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.736 -2.011 -6.427 1.00 0.00 H new ATOM 630 N ARG A 40 9.231 1.985 -5.318 1.00 0.00 N ATOM 631 CA ARG A 40 8.184 2.582 -6.123 1.00 0.00 C ATOM 632 C ARG A 40 8.652 2.593 -7.581 1.00 0.00 C ATOM 633 O ARG A 40 9.858 2.529 -7.819 1.00 0.00 O ATOM 634 CB ARG A 40 7.888 4.011 -5.627 1.00 0.00 C ATOM 635 CG ARG A 40 6.537 4.186 -4.904 1.00 0.00 C ATOM 636 CD ARG A 40 6.609 4.128 -3.371 1.00 0.00 C ATOM 637 NE ARG A 40 5.567 4.982 -2.780 1.00 0.00 N ATOM 638 CZ ARG A 40 4.271 4.677 -2.608 1.00 0.00 C ATOM 639 NH1 ARG A 40 3.793 3.449 -2.836 1.00 0.00 N ATOM 640 NH2 ARG A 40 3.427 5.629 -2.199 1.00 0.00 N ATOM 0 H ARG A 40 10.171 2.164 -5.671 1.00 0.00 H new ATOM 0 HA ARG A 40 7.262 2.006 -6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.686 4.317 -4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.916 4.688 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.107 5.144 -5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.854 3.411 -5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.482 3.100 -3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.592 4.455 -3.033 1.00 0.00 H new ATOM 0 HE ARG A 40 5.861 5.907 -2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.419 2.708 -3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.802 3.253 -2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.770 6.573 -2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.440 5.412 -2.064 1.00 0.00 H new ATOM 654 N PRO A 41 7.729 2.710 -8.549 1.00 0.00 N ATOM 655 CA PRO A 41 6.284 2.697 -8.351 1.00 0.00 C ATOM 656 C PRO A 41 5.797 1.277 -8.019 1.00 0.00 C ATOM 657 O PRO A 41 6.393 0.295 -8.457 1.00 0.00 O ATOM 658 CB PRO A 41 5.698 3.220 -9.666 1.00 0.00 C ATOM 659 CG PRO A 41 6.729 2.785 -10.707 1.00 0.00 C ATOM 660 CD PRO A 41 8.057 2.879 -9.953 1.00 0.00 C ATOM 0 HA PRO A 41 5.969 3.316 -7.511 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.717 2.791 -9.868 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.575 4.303 -9.649 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.539 1.772 -11.061 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.716 3.436 -11.581 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.752 2.109 -10.287 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.539 3.841 -10.129 1.00 0.00 H new ATOM 668 N CYS A 42 4.741 1.178 -7.205 1.00 0.00 N ATOM 669 CA CYS A 42 4.061 -0.082 -6.905 1.00 0.00 C ATOM 670 C CYS A 42 2.952 -0.288 -7.951 1.00 0.00 C ATOM 671 O CYS A 42 2.872 0.487 -8.904 1.00 0.00 O ATOM 672 CB CYS A 42 3.539 -0.054 -5.451 1.00 0.00 C ATOM 673 SG CYS A 42 4.902 -0.125 -4.269 1.00 0.00 S ATOM 0 H CYS A 42 4.331 1.982 -6.731 1.00 0.00 H new ATOM 0 HA CYS A 42 4.739 -0.933 -6.969 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.959 0.854 -5.287 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.867 -0.896 -5.286 1.00 0.00 H new ATOM 0 HG CYS A 42 5.863 0.654 -4.668 1.00 0.00 H new ATOM 679 N MET A 43 2.095 -1.310 -7.820 1.00 0.00 N ATOM 680 CA MET A 43 1.080 -1.590 -8.838 1.00 0.00 C ATOM 681 C MET A 43 -0.142 -2.268 -8.209 1.00 0.00 C ATOM 682 O MET A 43 -0.031 -2.843 -7.127 1.00 0.00 O ATOM 683 CB MET A 43 1.724 -2.439 -9.950 1.00 0.00 C ATOM 684 CG MET A 43 0.982 -2.312 -11.297 1.00 0.00 C ATOM 685 SD MET A 43 1.896 -2.877 -12.756 1.00 0.00 S ATOM 686 CE MET A 43 2.231 -4.609 -12.374 1.00 0.00 C ATOM 0 H MET A 43 2.086 -1.950 -7.026 1.00 0.00 H new ATOM 0 HA MET A 43 0.717 -0.663 -9.281 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.762 -2.133 -10.081 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.736 -3.485 -9.643 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.052 -2.877 -11.233 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.711 -1.267 -11.444 1.00 0.00 H new ATOM 0 HE1 MET A 43 3.308 -4.776 -12.357 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.810 -4.854 -11.399 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.777 -5.244 -13.135 1.00 0.00 H new ATOM 696 N LYS A 44 -1.313 -2.192 -8.854 1.00 0.00 N ATOM 697 CA LYS A 44 -2.521 -2.848 -8.347 1.00 0.00 C ATOM 698 C LYS A 44 -3.286 -3.589 -9.445 1.00 0.00 C ATOM 699 O LYS A 44 -2.966 -3.427 -10.623 1.00 0.00 O ATOM 700 CB LYS A 44 -3.401 -1.820 -7.627 1.00 0.00 C ATOM 701 CG LYS A 44 -4.061 -0.795 -8.562 1.00 0.00 C ATOM 702 CD LYS A 44 -5.269 -0.172 -7.850 1.00 0.00 C ATOM 703 CE LYS A 44 -6.099 0.660 -8.833 1.00 0.00 C ATOM 704 NZ LYS A 44 -7.369 1.092 -8.226 1.00 0.00 N ATOM 0 H LYS A 44 -1.448 -1.683 -9.727 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.220 -3.612 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.180 -2.347 -7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.795 -1.289 -6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.345 -0.020 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.377 -1.278 -9.487 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.888 -0.957 -7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.929 0.458 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.527 1.533 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.302 0.073 -9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.910 1.653 -8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.923 0.257 -7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.172 1.672 -7.385 1.00 0.00 H new ATOM 718 N LYS A 45 -4.311 -4.365 -9.065 1.00 0.00 N ATOM 719 CA LYS A 45 -5.214 -5.048 -9.987 1.00 0.00 C ATOM 720 C LYS A 45 -6.491 -5.470 -9.259 1.00 0.00 C ATOM 721 O LYS A 45 -6.678 -5.139 -8.089 1.00 0.00 O ATOM 722 CB LYS A 45 -4.516 -6.253 -10.646 1.00 0.00 C ATOM 723 CG LYS A 45 -4.402 -7.550 -9.826 1.00 0.00 C ATOM 724 CD LYS A 45 -3.655 -7.378 -8.499 1.00 0.00 C ATOM 725 CE LYS A 45 -3.191 -8.732 -7.945 1.00 0.00 C ATOM 726 NZ LYS A 45 -4.298 -9.695 -7.802 1.00 0.00 N ATOM 0 H LYS A 45 -4.536 -4.536 -8.085 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.491 -4.357 -10.783 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.048 -6.485 -11.569 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.509 -5.945 -10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.403 -7.929 -9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.891 -8.304 -10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.793 -6.727 -8.645 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.305 -6.888 -7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.433 -9.151 -8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.718 -8.581 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.267 -10.121 -6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.205 -9.203 -7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.204 -10.442 -8.520 1.00 0.00 H new ATOM 740 N THR A 46 -7.354 -6.231 -9.933 1.00 0.00 N ATOM 741 CA THR A 46 -8.458 -6.932 -9.307 1.00 0.00 C ATOM 742 C THR A 46 -8.180 -8.430 -9.382 1.00 0.00 C ATOM 743 O THR A 46 -7.841 -8.948 -10.445 1.00 0.00 O ATOM 744 CB THR A 46 -9.788 -6.487 -9.927 1.00 0.00 C ATOM 745 OG1 THR A 46 -10.884 -7.023 -9.217 1.00 0.00 O ATOM 746 CG2 THR A 46 -9.933 -6.843 -11.406 1.00 0.00 C ATOM 0 H THR A 46 -7.299 -6.375 -10.941 1.00 0.00 H new ATOM 0 HA THR A 46 -8.549 -6.683 -8.250 1.00 0.00 H new ATOM 0 HB THR A 46 -9.783 -5.399 -9.854 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.587 -7.320 -8.332 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.899 -6.495 -11.771 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.136 -6.364 -11.975 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.867 -7.924 -11.528 1.00 0.00 H new ATOM 754 N ILE A 47 -8.248 -9.120 -8.241 1.00 0.00 N ATOM 755 CA ILE A 47 -8.123 -10.564 -8.224 1.00 0.00 C ATOM 756 C ILE A 47 -9.432 -11.198 -8.685 1.00 0.00 C ATOM 757 O ILE A 47 -10.533 -10.828 -8.268 1.00 0.00 O ATOM 758 CB ILE A 47 -7.655 -11.099 -6.866 1.00 0.00 C ATOM 759 CG1 ILE A 47 -7.638 -12.639 -6.911 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.541 -10.591 -5.733 1.00 0.00 C ATOM 761 CD1 ILE A 47 -6.827 -13.263 -5.769 1.00 0.00 C ATOM 0 H ILE A 47 -8.389 -8.696 -7.324 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.339 -10.848 -8.926 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.647 -10.734 -6.668 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.662 -13.010 -6.867 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.222 -12.965 -7.865 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.182 -10.989 -4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.508 -9.502 -5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.567 -10.919 -5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.853 -14.349 -5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.794 -12.919 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.256 -12.965 -4.813 1.00 0.00 H new ATOM 773 N TYR A 48 -9.274 -12.181 -9.561 1.00 0.00 N ATOM 774 CA TYR A 48 -10.341 -12.940 -10.157 1.00 0.00 C ATOM 775 C TYR A 48 -10.543 -14.236 -9.376 1.00 0.00 C ATOM 776 O TYR A 48 -9.926 -14.445 -8.337 1.00 0.00 O ATOM 777 CB TYR A 48 -9.945 -13.143 -11.625 1.00 0.00 C ATOM 778 CG TYR A 48 -9.724 -11.877 -12.428 1.00 0.00 C ATOM 779 CD1 TYR A 48 -10.638 -10.824 -12.296 1.00 0.00 C ATOM 780 CD2 TYR A 48 -8.771 -11.844 -13.465 1.00 0.00 C ATOM 781 CE1 TYR A 48 -10.698 -9.807 -13.259 1.00 0.00 C ATOM 782 CE2 TYR A 48 -8.788 -10.791 -14.397 1.00 0.00 C ATOM 783 CZ TYR A 48 -9.778 -9.797 -14.319 1.00 0.00 C ATOM 784 OH TYR A 48 -9.944 -8.917 -15.343 1.00 0.00 O ATOM 0 H TYR A 48 -8.353 -12.477 -9.884 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.306 -12.435 -10.122 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.031 -13.735 -11.657 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.722 -13.730 -12.114 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.302 -10.795 -11.445 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.029 -12.625 -13.544 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.449 -9.034 -13.186 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.039 -10.746 -15.174 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.223 -9.036 -15.996 1.00 0.00 H new ATOM 923 N LYS A 57 -12.943 -11.602 -7.035 1.00 0.00 N ATOM 924 CA LYS A 57 -12.872 -11.784 -5.594 1.00 0.00 C ATOM 925 C LYS A 57 -12.609 -10.468 -4.876 1.00 0.00 C ATOM 926 O LYS A 57 -13.047 -10.294 -3.739 1.00 0.00 O ATOM 927 CB LYS A 57 -11.860 -12.886 -5.285 1.00 0.00 C ATOM 928 CG LYS A 57 -11.782 -13.242 -3.795 1.00 0.00 C ATOM 929 CD LYS A 57 -10.924 -14.507 -3.686 1.00 0.00 C ATOM 930 CE LYS A 57 -10.182 -14.621 -2.348 1.00 0.00 C ATOM 931 NZ LYS A 57 -11.096 -14.866 -1.219 1.00 0.00 N ATOM 0 HA LYS A 57 -13.836 -12.113 -5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.123 -13.780 -5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.875 -12.570 -5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.340 -12.425 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.778 -13.414 -3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.560 -15.382 -3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.198 -14.517 -4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.455 -15.431 -2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.622 -13.703 -2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.548 -14.935 -0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.774 -14.081 -1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.612 -15.755 -1.377 1.00 0.00 H new ATOM 945 N GLY A 58 -11.952 -9.519 -5.539 1.00 0.00 N ATOM 946 CA GLY A 58 -11.852 -8.177 -5.005 1.00 0.00 C ATOM 947 C GLY A 58 -10.760 -7.392 -5.695 1.00 0.00 C ATOM 948 O GLY A 58 -10.152 -7.854 -6.662 1.00 0.00 O ATOM 0 H GLY A 58 -11.488 -9.659 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.805 -7.663 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.649 -8.223 -3.935 1.00 0.00 H new ATOM 952 N TYR A 59 -10.523 -6.187 -5.187 1.00 0.00 N ATOM 953 CA TYR A 59 -9.363 -5.410 -5.582 1.00 0.00 C ATOM 954 C TYR A 59 -8.172 -5.907 -4.779 1.00 0.00 C ATOM 955 O TYR A 59 -8.346 -6.278 -3.623 1.00 0.00 O ATOM 956 CB TYR A 59 -9.620 -3.915 -5.394 1.00 0.00 C ATOM 957 CG TYR A 59 -10.533 -3.343 -6.464 1.00 0.00 C ATOM 958 CD1 TYR A 59 -10.138 -3.407 -7.813 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.794 -2.816 -6.130 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.970 -2.891 -8.820 1.00 0.00 C ATOM 961 CE2 TYR A 59 -12.639 -2.323 -7.141 1.00 0.00 C ATOM 962 CZ TYR A 59 -12.222 -2.350 -8.485 1.00 0.00 C ATOM 963 OH TYR A 59 -13.024 -1.857 -9.469 1.00 0.00 O ATOM 0 H TYR A 59 -11.123 -5.730 -4.500 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.152 -5.543 -6.643 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.065 -3.747 -4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.670 -3.382 -5.409 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.191 -3.855 -8.075 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -12.113 -2.790 -5.099 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.647 -2.910 -9.851 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.609 -1.923 -6.885 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.856 -1.520 -9.075 1.00 0.00 H new ATOM 973 N GLU A 60 -6.984 -5.937 -5.383 1.00 0.00 N ATOM 974 CA GLU A 60 -5.748 -6.225 -4.692 1.00 0.00 C ATOM 975 C GLU A 60 -4.749 -5.131 -5.059 1.00 0.00 C ATOM 976 O GLU A 60 -4.643 -4.745 -6.223 1.00 0.00 O ATOM 977 CB GLU A 60 -5.200 -7.594 -5.108 1.00 0.00 C ATOM 978 CG GLU A 60 -5.322 -8.662 -4.013 1.00 0.00 C ATOM 979 CD GLU A 60 -4.345 -9.809 -4.236 1.00 0.00 C ATOM 980 OE1 GLU A 60 -4.669 -10.685 -5.064 1.00 0.00 O ATOM 981 OE2 GLU A 60 -3.276 -9.777 -3.587 1.00 0.00 O ATOM 0 H GLU A 60 -6.862 -5.758 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.919 -6.250 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.732 -7.934 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.151 -7.488 -5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.135 -8.209 -3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.341 -9.050 -3.994 1.00 0.00 H new ATOM 988 N TYR A 61 -3.987 -4.675 -4.071 1.00 0.00 N ATOM 989 CA TYR A 61 -2.895 -3.734 -4.258 1.00 0.00 C ATOM 990 C TYR A 61 -1.611 -4.509 -3.981 1.00 0.00 C ATOM 991 O TYR A 61 -1.545 -5.167 -2.943 1.00 0.00 O ATOM 992 CB TYR A 61 -3.072 -2.552 -3.294 1.00 0.00 C ATOM 993 CG TYR A 61 -4.428 -1.864 -3.357 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.690 -0.865 -4.311 1.00 0.00 C ATOM 995 CD2 TYR A 61 -5.415 -2.186 -2.410 1.00 0.00 C ATOM 996 CE1 TYR A 61 -5.949 -0.237 -4.349 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.680 -1.582 -2.462 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.950 -0.609 -3.434 1.00 0.00 C ATOM 999 OH TYR A 61 -8.175 -0.015 -3.470 1.00 0.00 O ATOM 0 H TYR A 61 -4.116 -4.956 -3.099 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.869 -3.320 -5.266 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.909 -2.906 -2.276 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.298 -1.814 -3.503 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.924 -0.579 -5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.198 -2.906 -1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.147 0.531 -5.082 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.445 -1.866 -1.754 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.860 -0.662 -3.201 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.629 -4.477 -4.897 1.00 0.00 N ATOM 1010 CA GLN A 62 0.644 -5.175 -4.759 1.00 0.00 C ATOM 1011 C GLN A 62 1.742 -4.155 -4.490 1.00 0.00 C ATOM 1012 O GLN A 62 2.197 -3.468 -5.409 1.00 0.00 O ATOM 1013 CB GLN A 62 0.946 -5.981 -6.030 1.00 0.00 C ATOM 1014 CG GLN A 62 2.276 -6.765 -5.959 1.00 0.00 C ATOM 1015 CD GLN A 62 2.960 -6.937 -7.319 1.00 0.00 C ATOM 1016 OE1 GLN A 62 3.409 -8.024 -7.682 1.00 0.00 O ATOM 1017 NE2 GLN A 62 3.108 -5.849 -8.070 1.00 0.00 N ATOM 0 H GLN A 62 -0.707 -3.953 -5.768 1.00 0.00 H new ATOM 0 HA GLN A 62 0.594 -5.873 -3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.130 -6.681 -6.210 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.978 -5.302 -6.882 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.957 -6.249 -5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.086 -7.749 -5.530 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.730 -4.956 -7.754 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.600 -5.908 -8.962 1.00 0.00 H new ATOM 1026 N LEU A 63 2.174 -4.075 -3.231 1.00 0.00 N ATOM 1027 CA LEU A 63 3.153 -3.100 -2.794 1.00 0.00 C ATOM 1028 C LEU A 63 4.406 -3.847 -2.359 1.00 0.00 C ATOM 1029 O LEU A 63 4.324 -4.879 -1.696 1.00 0.00 O ATOM 1030 CB LEU A 63 2.571 -2.210 -1.688 1.00 0.00 C ATOM 1031 CG LEU A 63 1.142 -1.749 -2.041 1.00 0.00 C ATOM 1032 CD1 LEU A 63 0.130 -2.531 -1.198 1.00 0.00 C ATOM 1033 CD2 LEU A 63 0.975 -0.241 -1.823 1.00 0.00 C ATOM 0 H LEU A 63 1.848 -4.692 -2.487 1.00 0.00 H new ATOM 0 HA LEU A 63 3.421 -2.426 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.557 -2.758 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.211 -1.340 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 63 0.962 -1.949 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.880 -2.205 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.229 -3.596 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.319 -2.348 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.042 0.053 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.169 -0.001 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.680 0.298 -2.456 1.00 0.00 H new ATOM 1045 N TYR A 64 5.565 -3.357 -2.785 1.00 0.00 N ATOM 1046 CA TYR A 64 6.840 -4.003 -2.568 1.00 0.00 C ATOM 1047 C TYR A 64 7.586 -3.240 -1.475 1.00 0.00 C ATOM 1048 O TYR A 64 8.258 -2.239 -1.742 1.00 0.00 O ATOM 1049 CB TYR A 64 7.578 -3.997 -3.907 1.00 0.00 C ATOM 1050 CG TYR A 64 7.216 -5.159 -4.814 1.00 0.00 C ATOM 1051 CD1 TYR A 64 7.574 -6.464 -4.432 1.00 0.00 C ATOM 1052 CD2 TYR A 64 6.548 -4.942 -6.035 1.00 0.00 C ATOM 1053 CE1 TYR A 64 7.260 -7.550 -5.262 1.00 0.00 C ATOM 1054 CE2 TYR A 64 6.220 -6.035 -6.855 1.00 0.00 C ATOM 1055 CZ TYR A 64 6.544 -7.344 -6.452 1.00 0.00 C ATOM 1056 OH TYR A 64 6.125 -8.421 -7.183 1.00 0.00 O ATOM 0 H TYR A 64 5.638 -2.480 -3.301 1.00 0.00 H new ATOM 0 HA TYR A 64 6.743 -5.035 -2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.362 -3.063 -4.426 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.652 -4.016 -3.719 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.091 -6.630 -3.499 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.289 -3.939 -6.340 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.570 -8.547 -4.985 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.718 -5.870 -7.797 1.00 0.00 H new ATOM 0 HH TYR A 64 5.170 -8.328 -7.384 1.00 0.00 H new ATOM 1066 N VAL A 65 7.445 -3.695 -0.227 1.00 0.00 N ATOM 1067 CA VAL A 65 8.088 -3.044 0.903 1.00 0.00 C ATOM 1068 C VAL A 65 9.527 -3.552 0.992 1.00 0.00 C ATOM 1069 O VAL A 65 9.779 -4.745 0.803 1.00 0.00 O ATOM 1070 CB VAL A 65 7.253 -3.216 2.185 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.311 -4.625 2.777 1.00 0.00 C ATOM 1072 CG2 VAL A 65 7.680 -2.201 3.250 1.00 0.00 C ATOM 0 H VAL A 65 6.889 -4.514 0.020 1.00 0.00 H new ATOM 0 HA VAL A 65 8.140 -1.964 0.765 1.00 0.00 H new ATOM 0 HB VAL A 65 6.220 -3.039 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.698 -4.667 3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.934 -5.342 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.342 -4.872 3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.077 -2.340 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.732 -2.349 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.535 -1.190 2.868 1.00 0.00 H new ATOM 1082 N TYR A 66 10.474 -2.644 1.234 1.00 0.00 N ATOM 1083 CA TYR A 66 11.878 -2.977 1.379 1.00 0.00 C ATOM 1084 C TYR A 66 12.156 -3.044 2.866 1.00 0.00 C ATOM 1085 O TYR A 66 12.167 -2.005 3.532 1.00 0.00 O ATOM 1086 CB TYR A 66 12.759 -1.919 0.703 1.00 0.00 C ATOM 1087 CG TYR A 66 14.175 -2.375 0.403 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.383 -3.525 -0.372 1.00 0.00 C ATOM 1089 CD2 TYR A 66 15.282 -1.620 0.830 1.00 0.00 C ATOM 1090 CE1 TYR A 66 15.681 -3.941 -0.704 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.581 -1.994 0.442 1.00 0.00 C ATOM 1092 CZ TYR A 66 16.781 -3.156 -0.324 1.00 0.00 C ATOM 1093 OH TYR A 66 18.037 -3.505 -0.716 1.00 0.00 O ATOM 0 H TYR A 66 10.278 -1.648 1.335 1.00 0.00 H new ATOM 0 HA TYR A 66 12.107 -3.929 0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.285 -1.612 -0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.803 -1.038 1.344 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.534 -4.097 -0.717 1.00 0.00 H new ATOM 0 HD2 TYR A 66 15.134 -0.753 1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.833 -4.861 -1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.426 -1.388 0.733 1.00 0.00 H new ATOM 0 HH TYR A 66 18.665 -3.346 0.019 1.00 0.00 H new ATOM 1103 N ALA A 67 12.342 -4.251 3.398 1.00 0.00 N ATOM 1104 CA ALA A 67 12.543 -4.415 4.823 1.00 0.00 C ATOM 1105 C ALA A 67 13.649 -5.411 5.099 1.00 0.00 C ATOM 1106 O ALA A 67 13.911 -6.270 4.264 1.00 0.00 O ATOM 1107 CB ALA A 67 11.219 -4.680 5.544 1.00 0.00 C ATOM 0 H ALA A 67 12.356 -5.119 2.862 1.00 0.00 H new ATOM 0 HA ALA A 67 12.899 -3.479 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.404 -4.799 6.612 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.543 -3.840 5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.766 -5.590 5.151 1.00 0.00 H new ATOM 1113 N SER A 68 14.372 -5.254 6.211 1.00 0.00 N ATOM 1114 CA SER A 68 15.619 -5.988 6.443 1.00 0.00 C ATOM 1115 C SER A 68 16.589 -5.961 5.243 1.00 0.00 C ATOM 1116 O SER A 68 17.394 -6.874 5.093 1.00 0.00 O ATOM 1117 CB SER A 68 15.355 -7.431 6.919 1.00 0.00 C ATOM 1118 OG SER A 68 14.445 -8.141 6.108 1.00 0.00 O ATOM 0 H SER A 68 14.113 -4.622 6.968 1.00 0.00 H new ATOM 0 HA SER A 68 16.124 -5.453 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.300 -7.973 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.972 -7.403 7.939 1.00 0.00 H new ATOM 0 HG SER A 68 14.396 -7.719 5.225 1.00 0.00 H new ATOM 1124 N ASP A 69 16.516 -4.933 4.386 1.00 0.00 N ATOM 1125 CA ASP A 69 17.270 -4.835 3.136 1.00 0.00 C ATOM 1126 C ASP A 69 16.960 -5.986 2.154 1.00 0.00 C ATOM 1127 O ASP A 69 17.747 -6.276 1.256 1.00 0.00 O ATOM 1128 CB ASP A 69 18.762 -4.692 3.466 1.00 0.00 C ATOM 1129 CG ASP A 69 19.605 -4.249 2.272 1.00 0.00 C ATOM 1130 OD1 ASP A 69 19.407 -3.087 1.851 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.457 -5.054 1.835 1.00 0.00 O ATOM 0 H ASP A 69 15.913 -4.127 4.551 1.00 0.00 H new ATOM 0 HA ASP A 69 16.952 -3.942 2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.881 -3.970 4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.139 -5.646 3.834 1.00 0.00 H new ATOM 1136 N LYS A 70 15.785 -6.607 2.298 1.00 0.00 N ATOM 1137 CA LYS A 70 15.189 -7.576 1.390 1.00 0.00 C ATOM 1138 C LYS A 70 13.928 -6.948 0.802 1.00 0.00 C ATOM 1139 O LYS A 70 13.357 -6.015 1.371 1.00 0.00 O ATOM 1140 CB LYS A 70 14.785 -8.863 2.129 1.00 0.00 C ATOM 1141 CG LYS A 70 15.930 -9.851 2.378 1.00 0.00 C ATOM 1142 CD LYS A 70 16.790 -9.410 3.564 1.00 0.00 C ATOM 1143 CE LYS A 70 17.728 -10.526 4.030 1.00 0.00 C ATOM 1144 NZ LYS A 70 16.990 -11.597 4.726 1.00 0.00 N ATOM 0 H LYS A 70 15.190 -6.430 3.108 1.00 0.00 H new ATOM 0 HA LYS A 70 15.916 -7.833 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.344 -8.591 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.009 -9.367 1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.523 -10.844 2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.549 -9.927 1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.377 -8.536 3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.145 -9.109 4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.253 -10.944 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.485 -10.112 4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.662 -12.210 5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.327 -11.175 5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.461 -12.162 4.031 1.00 0.00 H new ATOM 1158 N LEU A 71 13.492 -7.487 -0.336 1.00 0.00 N ATOM 1159 CA LEU A 71 12.296 -7.068 -1.037 1.00 0.00 C ATOM 1160 C LEU A 71 11.173 -8.010 -0.590 1.00 0.00 C ATOM 1161 O LEU A 71 11.262 -9.225 -0.769 1.00 0.00 O ATOM 1162 CB LEU A 71 12.603 -7.119 -2.547 1.00 0.00 C ATOM 1163 CG LEU A 71 12.104 -5.906 -3.338 1.00 0.00 C ATOM 1164 CD1 LEU A 71 12.877 -5.789 -4.656 1.00 0.00 C ATOM 1165 CD2 LEU A 71 10.617 -6.034 -3.630 1.00 0.00 C ATOM 0 H LEU A 71 13.982 -8.250 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 71 11.978 -6.049 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.681 -7.207 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.154 -8.020 -2.966 1.00 0.00 H new ATOM 0 HG LEU A 71 12.269 -5.011 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.517 -4.924 -5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.940 -5.668 -4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.725 -6.691 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.280 -5.163 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.437 -6.936 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.066 -6.095 -2.692 1.00 0.00 H new ATOM 1177 N PHE A 72 10.135 -7.472 0.048 1.00 0.00 N ATOM 1178 CA PHE A 72 9.008 -8.246 0.530 1.00 0.00 C ATOM 1179 C PHE A 72 7.785 -7.844 -0.278 1.00 0.00 C ATOM 1180 O PHE A 72 7.380 -6.679 -0.267 1.00 0.00 O ATOM 1181 CB PHE A 72 8.813 -7.961 2.015 1.00 0.00 C ATOM 1182 CG PHE A 72 9.860 -8.590 2.905 1.00 0.00 C ATOM 1183 CD1 PHE A 72 9.900 -9.986 3.088 1.00 0.00 C ATOM 1184 CD2 PHE A 72 10.760 -7.765 3.597 1.00 0.00 C ATOM 1185 CE1 PHE A 72 10.845 -10.551 3.964 1.00 0.00 C ATOM 1186 CE2 PHE A 72 11.654 -8.326 4.524 1.00 0.00 C ATOM 1187 CZ PHE A 72 11.719 -9.720 4.686 1.00 0.00 C ATOM 0 H PHE A 72 10.058 -6.474 0.244 1.00 0.00 H new ATOM 0 HA PHE A 72 9.176 -9.316 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.819 -6.882 2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.830 -8.321 2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.207 -10.621 2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.765 -6.700 3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.899 -11.623 4.082 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.293 -7.685 5.113 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.440 -10.153 5.364 1.00 0.00 H new ATOM 1197 N ARG A 73 7.195 -8.812 -0.982 1.00 0.00 N ATOM 1198 CA ARG A 73 5.953 -8.590 -1.679 1.00 0.00 C ATOM 1199 C ARG A 73 4.863 -8.516 -0.612 1.00 0.00 C ATOM 1200 O ARG A 73 4.624 -9.501 0.086 1.00 0.00 O ATOM 1201 CB ARG A 73 5.723 -9.714 -2.693 1.00 0.00 C ATOM 1202 CG ARG A 73 4.524 -9.354 -3.568 1.00 0.00 C ATOM 1203 CD ARG A 73 4.245 -10.433 -4.617 1.00 0.00 C ATOM 1204 NE ARG A 73 2.825 -10.415 -4.984 1.00 0.00 N ATOM 1205 CZ ARG A 73 2.238 -11.234 -5.863 1.00 0.00 C ATOM 1206 NH1 ARG A 73 2.967 -12.070 -6.611 1.00 0.00 N ATOM 1207 NH2 ARG A 73 0.906 -11.204 -5.966 1.00 0.00 N ATOM 0 H ARG A 73 7.569 -9.756 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 73 5.956 -7.663 -2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.611 -9.853 -3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.543 -10.657 -2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.643 -9.220 -2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.709 -8.402 -4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.860 -10.262 -5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.516 -11.413 -4.225 1.00 0.00 H new ATOM 0 HE ARG A 73 2.235 -9.718 -4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.982 -12.087 -6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.508 -12.690 -7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.364 -10.567 -5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.432 -11.818 -6.628 1.00 0.00 H new ATOM 1221 N ALA A 74 4.256 -7.346 -0.428 1.00 0.00 N ATOM 1222 CA ALA A 74 3.326 -7.090 0.654 1.00 0.00 C ATOM 1223 C ALA A 74 2.024 -6.510 0.097 1.00 0.00 C ATOM 1224 O ALA A 74 1.867 -5.300 -0.064 1.00 0.00 O ATOM 1225 CB ALA A 74 4.015 -6.258 1.736 1.00 0.00 C ATOM 0 H ALA A 74 4.403 -6.542 -1.038 1.00 0.00 H new ATOM 0 HA ALA A 74 3.028 -8.013 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.315 -6.066 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.877 -6.803 2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.346 -5.310 1.311 1.00 0.00 H new ATOM 1231 N ASP A 75 1.074 -7.404 -0.199 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.150 -7.104 -0.926 1.00 0.00 C ATOM 1233 C ASP A 75 -1.306 -6.988 0.063 1.00 0.00 C ATOM 1234 O ASP A 75 -1.191 -7.447 1.197 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.468 -8.230 -1.930 1.00 0.00 C ATOM 1236 CG ASP A 75 0.585 -8.453 -3.016 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.657 -7.815 -2.940 1.00 0.00 O ATOM 1238 OD2 ASP A 75 0.300 -9.274 -3.918 1.00 0.00 O ATOM 0 H ASP A 75 1.144 -8.385 0.072 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.016 -6.167 -1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.599 -9.160 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.421 -8.007 -2.411 1.00 0.00 H new ATOM 1243 N ILE A 76 -2.416 -6.367 -0.322 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.661 -6.475 0.432 1.00 0.00 C ATOM 1245 C ILE A 76 -4.742 -6.748 -0.592 1.00 0.00 C ATOM 1246 O ILE A 76 -4.654 -6.214 -1.697 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.938 -5.217 1.290 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -4.298 -5.593 2.733 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -5.037 -4.301 0.747 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -4.115 -4.447 3.729 1.00 0.00 C ATOM 0 H ILE A 76 -2.479 -5.781 -1.155 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.615 -7.283 1.162 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.001 -4.661 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.335 -5.928 2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.681 -6.436 3.045 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.161 -3.447 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.759 -3.949 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.975 -4.854 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.388 -4.786 4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.073 -4.126 3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.753 -3.611 3.443 1.00 0.00 H new ATOM 1262 N SER A 77 -5.743 -7.539 -0.202 1.00 0.00 N ATOM 1263 CA SER A 77 -6.968 -7.749 -0.949 1.00 0.00 C ATOM 1264 C SER A 77 -8.094 -6.998 -0.257 1.00 0.00 C ATOM 1265 O SER A 77 -8.052 -6.807 0.961 1.00 0.00 O ATOM 1266 CB SER A 77 -7.290 -9.246 -1.033 1.00 0.00 C ATOM 1267 OG SER A 77 -8.417 -9.498 -1.855 1.00 0.00 O ATOM 0 H SER A 77 -5.715 -8.065 0.672 1.00 0.00 H new ATOM 0 HA SER A 77 -6.850 -7.374 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.426 -9.782 -1.427 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.477 -9.634 -0.032 1.00 0.00 H new ATOM 0 HG SER A 77 -8.591 -10.462 -1.886 1.00 0.00 H new ATOM 1273 N GLU A 78 -9.100 -6.611 -1.040 1.00 0.00 N ATOM 1274 CA GLU A 78 -10.328 -6.017 -0.573 1.00 0.00 C ATOM 1275 C GLU A 78 -11.473 -7.018 -0.640 1.00 0.00 C ATOM 1276 O GLU A 78 -11.400 -8.014 -1.358 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.661 -4.767 -1.397 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.689 -3.627 -1.084 1.00 0.00 C ATOM 1279 CD GLU A 78 -10.331 -2.282 -1.405 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -10.428 -1.967 -2.610 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -10.752 -1.612 -0.436 1.00 0.00 O ATOM 0 H GLU A 78 -9.070 -6.711 -2.055 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.193 -5.724 0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.617 -5.006 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.681 -4.448 -1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.405 -3.660 -0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.775 -3.749 -1.665 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.539 -6.713 0.102 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.802 -7.434 0.055 1.00 0.00 C ATOM 1290 C ASP A 79 -14.709 -6.780 -0.986 1.00 0.00 C ATOM 1291 O ASP A 79 -15.371 -5.793 -0.669 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.456 -7.414 1.441 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.845 -8.056 1.449 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -16.156 -8.799 0.490 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.583 -7.773 2.420 1.00 0.00 O ATOM 0 H ASP A 79 -12.543 -5.939 0.766 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.633 -8.473 -0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.814 -7.939 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.535 -6.383 1.786 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.748 -7.342 -2.199 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.575 -6.883 -3.316 1.00 0.00 C ATOM 1302 C TYR A 80 -17.003 -6.488 -2.929 1.00 0.00 C ATOM 1303 O TYR A 80 -17.525 -5.517 -3.467 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.625 -7.968 -4.399 1.00 0.00 C ATOM 1305 CG TYR A 80 -15.962 -7.472 -5.794 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -15.174 -6.473 -6.400 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -16.981 -8.096 -6.538 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -15.409 -6.095 -7.732 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -17.213 -7.719 -7.871 1.00 0.00 C ATOM 1310 CZ TYR A 80 -16.419 -6.730 -8.473 1.00 0.00 C ATOM 1311 OH TYR A 80 -16.596 -6.427 -9.789 1.00 0.00 O ATOM 0 H TYR A 80 -14.184 -8.158 -2.436 1.00 0.00 H new ATOM 0 HA TYR A 80 -15.099 -5.975 -3.685 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.658 -8.470 -4.433 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.363 -8.716 -4.108 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -14.385 -5.996 -5.837 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.586 -8.866 -6.083 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -14.814 -5.317 -8.186 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -18.004 -8.191 -8.434 1.00 0.00 H new ATOM 0 HH TYR A 80 -17.336 -6.958 -10.150 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.640 -7.239 -2.016 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.973 -6.921 -1.511 1.00 0.00 C ATOM 1323 C LYS A 81 -19.087 -5.447 -1.113 1.00 0.00 C ATOM 1324 O LYS A 81 -20.126 -4.824 -1.320 1.00 0.00 O ATOM 1325 CB LYS A 81 -19.277 -7.817 -0.298 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.690 -7.643 0.280 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.768 -8.004 -0.747 1.00 0.00 C ATOM 1328 CE LYS A 81 -23.151 -8.048 -0.089 1.00 0.00 C ATOM 1329 NZ LYS A 81 -24.197 -8.390 -1.069 1.00 0.00 N ATOM 0 H LYS A 81 -17.239 -8.084 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.697 -7.105 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -19.142 -8.859 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.549 -7.607 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.803 -8.272 1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.827 -6.611 0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.767 -7.272 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -21.542 -8.972 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -23.150 -8.782 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -23.373 -7.081 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -25.123 -8.412 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -24.212 -7.675 -1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.996 -9.324 -1.480 1.00 0.00 H new ATOM 1343 N THR A 82 -18.016 -4.929 -0.508 1.00 0.00 N ATOM 1344 CA THR A 82 -17.982 -3.623 0.115 1.00 0.00 C ATOM 1345 C THR A 82 -16.678 -2.891 -0.250 1.00 0.00 C ATOM 1346 O THR A 82 -16.628 -2.243 -1.290 1.00 0.00 O ATOM 1347 CB THR A 82 -18.217 -3.831 1.619 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.469 -4.453 1.827 1.00 0.00 O ATOM 1349 CG2 THR A 82 -18.225 -2.498 2.347 1.00 0.00 C ATOM 0 H THR A 82 -17.129 -5.428 -0.441 1.00 0.00 H new ATOM 0 HA THR A 82 -18.769 -2.963 -0.250 1.00 0.00 H new ATOM 0 HB THR A 82 -17.411 -4.456 2.004 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.613 -4.585 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.393 -2.665 3.411 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.266 -2.000 2.205 1.00 0.00 H new ATOM 0 HG23 THR A 82 -19.022 -1.871 1.948 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.656 -2.965 0.615 1.00 0.00 N ATOM 1358 CA ARG A 83 -14.342 -2.312 0.553 1.00 0.00 C ATOM 1359 C ARG A 83 -13.657 -2.523 1.918 1.00 0.00 C ATOM 1360 O ARG A 83 -13.115 -1.605 2.528 1.00 0.00 O ATOM 1361 CB ARG A 83 -14.418 -0.825 0.139 1.00 0.00 C ATOM 1362 CG ARG A 83 -14.011 -0.585 -1.325 1.00 0.00 C ATOM 1363 CD ARG A 83 -14.016 0.912 -1.647 1.00 0.00 C ATOM 1364 NE ARG A 83 -13.730 1.139 -3.069 1.00 0.00 N ATOM 1365 CZ ARG A 83 -13.556 2.343 -3.633 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -13.594 3.452 -2.885 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -13.346 2.429 -4.950 1.00 0.00 N ATOM 0 H ARG A 83 -15.737 -3.538 1.455 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.744 -2.768 -0.236 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -15.435 -0.463 0.291 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.770 -0.239 0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.018 -0.998 -1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.699 -1.108 -1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.986 1.340 -1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.272 1.423 -1.035 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.658 0.320 -3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.756 3.384 -1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.461 4.365 -3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.319 1.583 -5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.213 3.341 -5.387 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.712 -3.758 2.423 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.934 -4.171 3.580 1.00 0.00 C ATOM 1383 C GLY A 84 -11.491 -4.407 3.140 1.00 0.00 C ATOM 1384 O GLY A 84 -11.235 -4.400 1.940 1.00 0.00 O ATOM 0 H GLY A 84 -14.300 -4.496 2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.973 -3.405 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.351 -5.081 4.011 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.571 -4.647 4.082 1.00 0.00 N ATOM 1389 CA ARG A 85 -9.173 -4.996 3.825 1.00 0.00 C ATOM 1390 C ARG A 85 -8.858 -6.347 4.462 1.00 0.00 C ATOM 1391 O ARG A 85 -9.241 -6.575 5.609 1.00 0.00 O ATOM 1392 CB ARG A 85 -8.191 -3.926 4.355 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.842 -2.637 4.881 1.00 0.00 C ATOM 1394 CD ARG A 85 -9.501 -2.849 6.256 1.00 0.00 C ATOM 1395 NE ARG A 85 -10.926 -2.491 6.250 1.00 0.00 N ATOM 1396 CZ ARG A 85 -11.769 -2.735 7.264 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -11.349 -3.389 8.353 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -13.035 -2.315 7.184 1.00 0.00 N ATOM 0 H ARG A 85 -10.789 -4.601 5.077 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.042 -5.049 2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.598 -4.367 5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.500 -3.663 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.088 -1.854 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.591 -2.291 4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.392 -3.892 6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.981 -2.249 7.003 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.298 -2.027 5.421 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.382 -3.706 8.416 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.996 -3.571 9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.354 -1.813 6.356 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.682 -2.497 7.951 1.00 0.00 H new ATOM 1412 N LYS A 86 -8.139 -7.215 3.743 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.605 -8.463 4.268 1.00 0.00 C ATOM 1414 C LYS A 86 -6.086 -8.490 4.131 1.00 0.00 C ATOM 1415 O LYS A 86 -5.554 -8.350 3.028 1.00 0.00 O ATOM 1416 CB LYS A 86 -8.237 -9.668 3.563 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.419 -10.258 4.342 1.00 0.00 C ATOM 1418 CD LYS A 86 -9.005 -10.975 5.645 1.00 0.00 C ATOM 1419 CE LYS A 86 -9.007 -10.077 6.898 1.00 0.00 C ATOM 1420 NZ LYS A 86 -9.611 -10.771 8.050 1.00 0.00 N ATOM 0 H LYS A 86 -7.911 -7.061 2.761 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.857 -8.525 5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.575 -9.367 2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.480 -10.439 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.119 -9.458 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.949 -10.963 3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.681 -11.814 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.006 -11.392 5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.985 -9.785 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.560 -9.161 6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.599 -10.143 8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.593 -11.028 7.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.068 -11.632 8.260 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.411 -8.691 5.268 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.968 -8.825 5.379 1.00 0.00 C ATOM 1436 C LEU A 87 -3.496 -9.945 4.452 1.00 0.00 C ATOM 1437 O LEU A 87 -3.701 -11.120 4.747 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.616 -9.104 6.855 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.127 -8.945 7.214 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -1.981 -8.804 8.732 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -1.262 -10.131 6.763 1.00 0.00 C ATOM 0 H LEU A 87 -5.882 -8.767 6.170 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.460 -7.910 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.199 -8.432 7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.926 -10.120 7.100 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.777 -8.057 6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.927 -8.691 8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.532 -7.927 9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.379 -9.693 9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.225 -9.954 7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.618 -11.044 7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.328 -10.239 5.680 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.849 -9.570 3.347 1.00 0.00 N ATOM 1454 CA LEU A 88 -2.231 -10.485 2.394 1.00 0.00 C ATOM 1455 C LEU A 88 -0.741 -10.152 2.229 1.00 0.00 C ATOM 1456 O LEU A 88 -0.076 -10.647 1.319 1.00 0.00 O ATOM 1457 CB LEU A 88 -3.022 -10.432 1.074 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.429 -11.830 0.580 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -4.518 -11.686 -0.486 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -2.233 -12.592 0.003 1.00 0.00 C ATOM 0 H LEU A 88 -2.739 -8.590 3.085 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.269 -11.512 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.916 -9.824 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.418 -9.941 0.311 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.806 -12.401 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.812 -12.674 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.384 -11.182 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.135 -11.099 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.558 -13.576 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.819 -12.036 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.470 -12.707 0.772 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.220 -9.270 3.089 1.00 0.00 N ATOM 1473 CA ARG A 89 1.155 -8.833 3.041 1.00 0.00 C ATOM 1474 C ARG A 89 2.117 -9.915 3.514 1.00 0.00 C ATOM 1475 O ARG A 89 1.717 -10.894 4.139 1.00 0.00 O ATOM 1476 CB ARG A 89 1.381 -7.485 3.763 1.00 0.00 C ATOM 1477 CG ARG A 89 0.428 -7.121 4.905 1.00 0.00 C ATOM 1478 CD ARG A 89 -0.801 -6.293 4.466 1.00 0.00 C ATOM 1479 NE ARG A 89 -0.487 -4.870 4.216 1.00 0.00 N ATOM 1480 CZ ARG A 89 -0.141 -4.313 3.043 1.00 0.00 C ATOM 1481 NH1 ARG A 89 -0.085 -5.043 1.929 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.166 -3.016 2.975 1.00 0.00 N ATOM 0 H ARG A 89 -0.759 -8.842 3.842 1.00 0.00 H new ATOM 0 HA ARG A 89 1.381 -8.650 1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.396 -7.483 4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.329 -6.692 3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.082 -8.039 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.980 -6.559 5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.220 -6.730 3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.569 -6.359 5.237 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.539 -4.244 5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.306 -6.038 1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.179 -4.606 1.046 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.139 -2.441 3.817 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.428 -2.600 2.081 1.00 0.00 H new ATOM 1496 N PHE A 90 3.407 -9.679 3.248 1.00 0.00 N ATOM 1497 CA PHE A 90 4.538 -10.428 3.761 1.00 0.00 C ATOM 1498 C PHE A 90 4.641 -11.768 3.038 1.00 0.00 C ATOM 1499 O PHE A 90 4.448 -12.832 3.619 1.00 0.00 O ATOM 1500 CB PHE A 90 4.459 -10.522 5.293 1.00 0.00 C ATOM 1501 CG PHE A 90 5.526 -9.742 6.018 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.845 -10.226 6.082 1.00 0.00 C ATOM 1503 CD2 PHE A 90 5.166 -8.576 6.710 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.808 -9.531 6.834 1.00 0.00 C ATOM 1505 CE2 PHE A 90 6.093 -7.965 7.564 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.430 -8.402 7.582 1.00 0.00 C ATOM 0 H PHE A 90 3.695 -8.917 2.635 1.00 0.00 H new ATOM 0 HA PHE A 90 5.474 -9.910 3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.481 -10.166 5.617 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.529 -11.570 5.585 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.117 -11.129 5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.181 -8.152 6.585 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.836 -9.863 6.837 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.781 -7.157 8.209 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.165 -7.871 8.169 1.00 0.00 H new ATOM 1516 N ASN A 91 4.949 -11.696 1.742 1.00 0.00 N ATOM 1517 CA ASN A 91 4.996 -12.838 0.845 1.00 0.00 C ATOM 1518 C ASN A 91 6.267 -12.771 -0.006 1.00 0.00 C ATOM 1519 O ASN A 91 6.948 -11.741 -0.045 1.00 0.00 O ATOM 1520 CB ASN A 91 3.721 -12.833 -0.007 1.00 0.00 C ATOM 1521 CG ASN A 91 3.322 -14.217 -0.504 1.00 0.00 C ATOM 1522 OD1 ASN A 91 4.154 -15.107 -0.649 1.00 0.00 O ATOM 1523 ND2 ASN A 91 2.033 -14.418 -0.760 1.00 0.00 N ATOM 0 H ASN A 91 5.178 -10.815 1.281 1.00 0.00 H new ATOM 0 HA ASN A 91 5.034 -13.775 1.401 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.902 -12.415 0.579 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.868 -12.175 -0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.714 -15.330 -1.086 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.363 -13.660 -0.631 1.00 0.00 H new ATOM 1530 N GLY A 92 6.595 -13.881 -0.669 1.00 0.00 N ATOM 1531 CA GLY A 92 7.850 -14.081 -1.375 1.00 0.00 C ATOM 1532 C GLY A 92 8.709 -15.053 -0.564 1.00 0.00 C ATOM 1533 O GLY A 92 8.311 -16.210 -0.435 1.00 0.00 O ATOM 0 H GLY A 92 5.972 -14.687 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.665 -14.480 -2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.369 -13.131 -1.503 1.00 0.00 H new ATOM 1537 N PRO A 93 9.847 -14.634 0.017 1.00 0.00 N ATOM 1538 CA PRO A 93 10.453 -13.312 -0.088 1.00 0.00 C ATOM 1539 C PRO A 93 10.970 -13.085 -1.510 1.00 0.00 C ATOM 1540 O PRO A 93 11.078 -14.035 -2.285 1.00 0.00 O ATOM 1541 CB PRO A 93 11.605 -13.327 0.922 1.00 0.00 C ATOM 1542 CG PRO A 93 12.038 -14.793 0.925 1.00 0.00 C ATOM 1543 CD PRO A 93 10.709 -15.532 0.767 1.00 0.00 C ATOM 0 HA PRO A 93 9.747 -12.508 0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.417 -12.667 0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.281 -13.000 1.910 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.725 -15.015 0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.545 -15.064 1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.846 -16.476 0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.276 -15.771 1.738 1.00 0.00 H new ATOM 1551 N VAL A 94 11.268 -11.832 -1.865 1.00 0.00 N ATOM 1552 CA VAL A 94 11.734 -11.469 -3.195 1.00 0.00 C ATOM 1553 C VAL A 94 13.189 -10.983 -3.079 1.00 0.00 C ATOM 1554 O VAL A 94 13.468 -10.037 -2.341 1.00 0.00 O ATOM 1555 CB VAL A 94 10.765 -10.439 -3.808 1.00 0.00 C ATOM 1556 CG1 VAL A 94 11.257 -9.909 -5.160 1.00 0.00 C ATOM 1557 CG2 VAL A 94 9.383 -11.080 -3.991 1.00 0.00 C ATOM 0 H VAL A 94 11.190 -11.039 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 94 11.738 -12.318 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 94 10.709 -9.595 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.540 -9.187 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.225 -9.425 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.356 -10.737 -5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.698 -10.351 -4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.466 -11.940 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.002 -11.405 -3.023 1.00 0.00 H new ATOM 1567 N PRO A 95 14.152 -11.630 -3.755 1.00 0.00 N ATOM 1568 CA PRO A 95 15.528 -11.163 -3.745 1.00 0.00 C ATOM 1569 C PRO A 95 15.637 -9.879 -4.580 1.00 0.00 C ATOM 1570 O PRO A 95 14.790 -9.630 -5.439 1.00 0.00 O ATOM 1571 CB PRO A 95 16.346 -12.316 -4.335 1.00 0.00 C ATOM 1572 CG PRO A 95 15.360 -13.003 -5.279 1.00 0.00 C ATOM 1573 CD PRO A 95 14.007 -12.813 -4.590 1.00 0.00 C ATOM 0 HA PRO A 95 15.892 -10.910 -2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.226 -11.954 -4.867 1.00 0.00 H new ATOM 0 HB3 PRO A 95 16.700 -12.995 -3.560 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.372 -12.549 -6.270 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.599 -14.059 -5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.210 -12.680 -5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.747 -13.686 -3.991 1.00 0.00 H new ATOM 1581 N PRO A 96 16.662 -9.048 -4.342 1.00 0.00 N ATOM 1582 CA PRO A 96 16.884 -7.847 -5.130 1.00 0.00 C ATOM 1583 C PRO A 96 17.258 -8.220 -6.572 1.00 0.00 C ATOM 1584 O PRO A 96 17.765 -9.317 -6.811 1.00 0.00 O ATOM 1585 CB PRO A 96 18.025 -7.110 -4.417 1.00 0.00 C ATOM 1586 CG PRO A 96 18.809 -8.241 -3.753 1.00 0.00 C ATOM 1587 CD PRO A 96 17.714 -9.232 -3.358 1.00 0.00 C ATOM 0 HA PRO A 96 15.995 -7.220 -5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 96 18.643 -6.549 -5.119 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.648 -6.397 -3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.530 -8.688 -4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.368 -7.890 -2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.087 -10.256 -3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.349 -9.035 -2.350 1.00 0.00 H new ATOM 1595 N PRO A 97 17.027 -7.323 -7.542 1.00 0.00 N ATOM 1596 CA PRO A 97 17.377 -7.561 -8.934 1.00 0.00 C ATOM 1597 C PRO A 97 18.898 -7.636 -9.107 1.00 0.00 C ATOM 1598 O PRO A 97 19.329 -8.430 -9.972 1.00 0.00 O ATOM 1599 CB PRO A 97 16.769 -6.386 -9.707 1.00 0.00 C ATOM 1600 CG PRO A 97 16.753 -5.256 -8.678 1.00 0.00 C ATOM 1601 CD PRO A 97 16.465 -5.993 -7.369 1.00 0.00 C ATOM 1602 OXT PRO A 97 19.600 -6.885 -8.395 1.00 0.00 O ATOM 0 HA PRO A 97 16.993 -8.513 -9.301 1.00 0.00 H new ATOM 0 HB2 PRO A 97 17.368 -6.126 -10.580 1.00 0.00 H new ATOM 0 HB3 PRO A 97 15.766 -6.617 -10.066 1.00 0.00 H new ATOM 0 HG2 PRO A 97 17.706 -4.727 -8.643 1.00 0.00 H new ATOM 0 HG3 PRO A 97 15.985 -4.515 -8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 97 16.921 -5.481 -6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.394 -6.042 -7.173 1.00 0.00 H new