USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 818 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 101 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 MET CE :methyl -105:sc= -0.105 (180deg=-1.22) USER MOD Set 2.2: A 37 MET CE :methyl 180:sc= -0.816 (180deg=-0.798) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.151 (180deg=-0.685) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.000328 (180deg=-0.138) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 7 LYS NZ :NH3+ -130:sc= 0.385 (180deg=-0.542) USER MOD Single : A 11 ASN : amide:sc= -4.15! C(o=-4.2!,f=-2.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 22 HIS : no HE2:sc= 0.99 K(o=0.99,f=-6.1!) USER MOD Single : A 28 TYR OH : rot -130:sc= 1.43 USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= 1.26 (180deg=1.14) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= -0.0181 (180deg=-0.172) USER MOD Single : A 41 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.015) USER MOD Single : A 42 THR OG1 : rot 124:sc= 0.333 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= 0.255 (180deg=-0.472!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.319 X(o=-0.32,f=0.08) USER MOD Single : A 58 CYS SG : rot -64:sc= 0.809 USER MOD Single : A 64 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 66 SER OG : rot -96:sc= 1.28 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.064) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -105:sc= -2.78 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0174 USER MOD Single : A 78 TYR OH : rot 140:sc= 0 USER MOD Single : A 80 SER OG : rot -61:sc= -4.17! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.75! K(o=-1.7!,f=-1.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HE2:sc= -0.0983 X(o=-0.098,f=-0.12) USER MOD Single : A 96 SER OG : rot -179:sc= -2.11! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.467 12.311 -10.629 1.00 7.43 N ATOM 2 CA MET A 1 17.713 12.227 -9.832 1.00 7.42 C ATOM 3 C MET A 1 17.807 10.885 -9.114 1.00 7.11 C ATOM 4 O MET A 1 18.547 9.993 -9.534 1.00 7.15 O ATOM 5 CB MET A 1 17.770 13.365 -8.807 1.00 7.88 C ATOM 6 CG MET A 1 17.956 14.740 -9.424 1.00 8.36 C ATOM 7 SD MET A 1 17.784 16.071 -8.220 1.00 9.39 S ATOM 8 CE MET A 1 19.005 15.583 -7.007 1.00 9.95 C ATOM 0 H1 MET A 1 16.530 13.114 -11.287 1.00 7.43 H new ATOM 0 H2 MET A 1 16.339 11.430 -11.167 1.00 7.43 H new ATOM 0 H3 MET A 1 15.656 12.448 -9.992 1.00 7.43 H new ATOM 0 HA MET A 1 18.557 12.319 -10.516 1.00 7.42 H new ATOM 0 HB2 MET A 1 16.850 13.361 -8.223 1.00 7.88 H new ATOM 0 HB3 MET A 1 18.589 13.175 -8.113 1.00 7.88 H new ATOM 0 HG2 MET A 1 18.942 14.797 -9.884 1.00 8.36 H new ATOM 0 HG3 MET A 1 17.224 14.879 -10.220 1.00 8.36 H new ATOM 0 HE1 MET A 1 19.226 16.427 -6.354 1.00 9.95 H new ATOM 0 HE2 MET A 1 18.617 14.756 -6.412 1.00 9.95 H new ATOM 0 HE3 MET A 1 19.917 15.268 -7.515 1.00 9.95 H new ATOM 20 N ALA A 2 17.042 10.738 -8.041 1.00 7.11 N ATOM 21 CA ALA A 2 17.079 9.525 -7.240 1.00 7.16 C ATOM 22 C ALA A 2 15.800 8.720 -7.424 1.00 6.34 C ATOM 23 O ALA A 2 15.652 7.631 -6.867 1.00 6.43 O ATOM 24 CB ALA A 2 17.281 9.868 -5.774 1.00 7.97 C ATOM 0 H ALA A 2 16.388 11.445 -7.706 1.00 7.11 H new ATOM 0 HA ALA A 2 17.918 8.916 -7.576 1.00 7.16 H new ATOM 0 HB1 ALA A 2 17.307 8.951 -5.186 1.00 7.97 H new ATOM 0 HB2 ALA A 2 18.222 10.404 -5.652 1.00 7.97 H new ATOM 0 HB3 ALA A 2 16.459 10.496 -5.431 1.00 7.97 H new ATOM 30 N THR A 3 14.876 9.268 -8.204 1.00 5.73 N ATOM 31 CA THR A 3 13.611 8.604 -8.475 1.00 5.02 C ATOM 32 C THR A 3 13.811 7.438 -9.438 1.00 3.93 C ATOM 33 O THR A 3 13.795 7.609 -10.658 1.00 3.57 O ATOM 34 CB THR A 3 12.581 9.586 -9.065 1.00 5.39 C ATOM 35 OG1 THR A 3 12.564 10.793 -8.287 1.00 6.16 O ATOM 36 CG2 THR A 3 11.189 8.968 -9.081 1.00 5.37 C ATOM 0 H THR A 3 14.982 10.174 -8.661 1.00 5.73 H new ATOM 0 HA THR A 3 13.230 8.226 -7.526 1.00 5.02 H new ATOM 0 HB THR A 3 12.870 9.814 -10.091 1.00 5.39 H new ATOM 0 HG1 THR A 3 11.909 11.417 -8.665 1.00 6.16 H new ATOM 0 HG21 THR A 3 10.479 9.680 -9.502 1.00 5.37 H new ATOM 0 HG22 THR A 3 11.199 8.064 -9.689 1.00 5.37 H new ATOM 0 HG23 THR A 3 10.891 8.717 -8.063 1.00 5.37 H new ATOM 44 N GLU A 4 14.046 6.265 -8.881 1.00 3.59 N ATOM 45 CA GLU A 4 14.223 5.062 -9.670 1.00 2.75 C ATOM 46 C GLU A 4 12.977 4.204 -9.552 1.00 1.95 C ATOM 47 O GLU A 4 12.275 4.288 -8.546 1.00 2.29 O ATOM 48 CB GLU A 4 15.446 4.283 -9.175 1.00 3.20 C ATOM 49 CG GLU A 4 16.727 5.101 -9.161 1.00 4.01 C ATOM 50 CD GLU A 4 17.900 4.329 -8.597 1.00 4.54 C ATOM 51 OE1 GLU A 4 18.005 4.220 -7.357 1.00 5.13 O ATOM 52 OE2 GLU A 4 18.729 3.835 -9.389 1.00 4.73 O ATOM 0 H GLU A 4 14.119 6.120 -7.874 1.00 3.59 H new ATOM 0 HA GLU A 4 14.383 5.331 -10.714 1.00 2.75 H new ATOM 0 HB2 GLU A 4 15.249 3.916 -8.168 1.00 3.20 H new ATOM 0 HB3 GLU A 4 15.590 3.409 -9.810 1.00 3.20 H new ATOM 0 HG2 GLU A 4 16.961 5.421 -10.176 1.00 4.01 H new ATOM 0 HG3 GLU A 4 16.572 6.003 -8.570 1.00 4.01 H new ATOM 59 N PRO A 5 12.658 3.405 -10.581 1.00 1.30 N ATOM 60 CA PRO A 5 11.568 2.433 -10.505 1.00 1.21 C ATOM 61 C PRO A 5 11.929 1.295 -9.557 1.00 0.86 C ATOM 62 O PRO A 5 12.776 0.471 -9.876 1.00 0.92 O ATOM 63 CB PRO A 5 11.426 1.917 -11.945 1.00 1.76 C ATOM 64 CG PRO A 5 12.244 2.841 -12.790 1.00 1.77 C ATOM 65 CD PRO A 5 13.314 3.389 -11.894 1.00 1.57 C ATOM 0 HA PRO A 5 10.644 2.867 -10.123 1.00 1.21 H new ATOM 0 HB2 PRO A 5 11.783 0.890 -12.030 1.00 1.76 H new ATOM 0 HB3 PRO A 5 10.383 1.919 -12.260 1.00 1.76 H new ATOM 0 HG2 PRO A 5 12.679 2.311 -13.637 1.00 1.77 H new ATOM 0 HG3 PRO A 5 11.629 3.643 -13.198 1.00 1.77 H new ATOM 0 HD2 PRO A 5 14.204 2.760 -11.894 1.00 1.57 H new ATOM 0 HD3 PRO A 5 13.629 4.386 -12.202 1.00 1.57 H new ATOM 73 N PRO A 6 11.314 1.263 -8.369 1.00 0.66 N ATOM 74 CA PRO A 6 11.658 0.311 -7.300 1.00 0.47 C ATOM 75 C PRO A 6 11.176 -1.118 -7.583 1.00 0.48 C ATOM 76 O PRO A 6 10.300 -1.335 -8.423 1.00 0.62 O ATOM 77 CB PRO A 6 10.932 0.891 -6.071 1.00 0.59 C ATOM 78 CG PRO A 6 10.512 2.264 -6.476 1.00 0.87 C ATOM 79 CD PRO A 6 10.247 2.169 -7.944 1.00 0.84 C ATOM 0 HA PRO A 6 12.737 0.214 -7.180 1.00 0.47 H new ATOM 0 HB2 PRO A 6 10.071 0.281 -5.798 1.00 0.59 H new ATOM 0 HB3 PRO A 6 11.590 0.921 -5.203 1.00 0.59 H new ATOM 0 HG2 PRO A 6 9.621 2.581 -5.934 1.00 0.87 H new ATOM 0 HG3 PRO A 6 11.292 2.995 -6.262 1.00 0.87 H new ATOM 0 HD2 PRO A 6 9.257 1.767 -8.158 1.00 0.84 H new ATOM 0 HD3 PRO A 6 10.311 3.139 -8.437 1.00 0.84 H new ATOM 87 N LYS A 7 11.734 -2.088 -6.860 1.00 0.45 N ATOM 88 CA LYS A 7 11.362 -3.484 -7.033 1.00 0.52 C ATOM 89 C LYS A 7 10.745 -3.956 -5.743 1.00 0.42 C ATOM 90 O LYS A 7 11.442 -4.479 -4.877 1.00 0.42 O ATOM 91 CB LYS A 7 12.570 -4.396 -7.325 1.00 0.65 C ATOM 92 CG LYS A 7 13.574 -3.882 -8.345 1.00 1.24 C ATOM 93 CD LYS A 7 13.033 -3.928 -9.759 1.00 1.37 C ATOM 94 CE LYS A 7 12.811 -2.530 -10.282 1.00 1.70 C ATOM 95 NZ LYS A 7 14.063 -1.726 -10.248 1.00 2.49 N ATOM 0 H LYS A 7 12.447 -1.928 -6.148 1.00 0.45 H new ATOM 0 HA LYS A 7 10.682 -3.543 -7.883 1.00 0.52 H new ATOM 0 HB2 LYS A 7 13.097 -4.576 -6.388 1.00 0.65 H new ATOM 0 HB3 LYS A 7 12.195 -5.360 -7.670 1.00 0.65 H new ATOM 0 HG2 LYS A 7 13.848 -2.857 -8.097 1.00 1.24 H new ATOM 0 HG3 LYS A 7 14.485 -4.478 -8.287 1.00 1.24 H new ATOM 0 HD2 LYS A 7 13.732 -4.459 -10.406 1.00 1.37 H new ATOM 0 HD3 LYS A 7 12.096 -4.484 -9.779 1.00 1.37 H new ATOM 0 HE2 LYS A 7 12.437 -2.579 -11.305 1.00 1.70 H new ATOM 0 HE3 LYS A 7 12.044 -2.035 -9.686 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 13.877 -0.813 -9.787 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 14.792 -2.241 -9.714 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 14.397 -1.562 -11.219 1.00 2.49 H new ATOM 109 N ILE A 8 9.460 -3.747 -5.575 1.00 0.41 N ATOM 110 CA ILE A 8 8.842 -4.169 -4.347 1.00 0.34 C ATOM 111 C ILE A 8 8.403 -5.620 -4.472 1.00 0.36 C ATOM 112 O ILE A 8 7.613 -5.974 -5.350 1.00 0.48 O ATOM 113 CB ILE A 8 7.655 -3.281 -3.907 1.00 0.45 C ATOM 114 CG1 ILE A 8 8.106 -1.886 -3.464 1.00 0.72 C ATOM 115 CG2 ILE A 8 6.958 -3.936 -2.748 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.546 -0.977 -4.574 1.00 0.39 C ATOM 0 H ILE A 8 8.841 -3.301 -6.252 1.00 0.41 H new ATOM 0 HA ILE A 8 9.594 -4.066 -3.565 1.00 0.34 H new ATOM 0 HB ILE A 8 6.993 -3.171 -4.766 1.00 0.45 H new ATOM 0 HG12 ILE A 8 7.285 -1.409 -2.928 1.00 0.72 H new ATOM 0 HG13 ILE A 8 8.928 -1.994 -2.757 1.00 0.72 H new ATOM 0 HG21 ILE A 8 6.119 -3.317 -2.431 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.591 -4.917 -3.051 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.658 -4.051 -1.920 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.846 -0.015 -4.159 1.00 0.39 H new ATOM 0 HD12 ILE A 8 9.390 -1.425 -5.098 1.00 0.39 H new ATOM 0 HD13 ILE A 8 7.722 -0.830 -5.272 1.00 0.39 H new ATOM 128 N VAL A 9 8.942 -6.453 -3.601 1.00 0.31 N ATOM 129 CA VAL A 9 8.710 -7.884 -3.647 1.00 0.36 C ATOM 130 C VAL A 9 7.640 -8.268 -2.644 1.00 0.34 C ATOM 131 O VAL A 9 7.529 -7.655 -1.585 1.00 0.47 O ATOM 132 CB VAL A 9 10.010 -8.653 -3.334 1.00 0.41 C ATOM 133 CG1 VAL A 9 9.856 -10.141 -3.607 1.00 0.89 C ATOM 134 CG2 VAL A 9 11.162 -8.073 -4.134 1.00 0.86 C ATOM 0 H VAL A 9 9.554 -6.156 -2.841 1.00 0.31 H new ATOM 0 HA VAL A 9 8.377 -8.147 -4.651 1.00 0.36 H new ATOM 0 HB VAL A 9 10.226 -8.539 -2.272 1.00 0.41 H new ATOM 0 HG11 VAL A 9 10.791 -10.652 -3.376 1.00 0.89 H new ATOM 0 HG12 VAL A 9 9.058 -10.545 -2.984 1.00 0.89 H new ATOM 0 HG13 VAL A 9 9.609 -10.295 -4.657 1.00 0.89 H new ATOM 0 HG21 VAL A 9 12.076 -8.622 -3.907 1.00 0.86 H new ATOM 0 HG22 VAL A 9 10.944 -8.156 -5.199 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.295 -7.023 -3.872 1.00 0.86 H new ATOM 144 N TRP A 10 6.845 -9.265 -2.980 1.00 0.33 N ATOM 145 CA TRP A 10 5.807 -9.726 -2.086 1.00 0.31 C ATOM 146 C TRP A 10 6.318 -10.863 -1.207 1.00 0.34 C ATOM 147 O TRP A 10 6.624 -11.957 -1.687 1.00 0.42 O ATOM 148 CB TRP A 10 4.570 -10.161 -2.873 1.00 0.38 C ATOM 149 CG TRP A 10 3.472 -10.694 -2.000 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.184 -10.298 -0.728 1.00 0.40 C ATOM 151 CD2 TRP A 10 2.512 -11.701 -2.333 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.121 -11.005 -0.238 1.00 0.46 N ATOM 153 CE2 TRP A 10 1.683 -11.872 -1.207 1.00 0.52 C ATOM 154 CE3 TRP A 10 2.273 -12.476 -3.471 1.00 0.60 C ATOM 155 CZ2 TRP A 10 0.635 -12.789 -1.189 1.00 0.62 C ATOM 156 CZ3 TRP A 10 1.232 -13.384 -3.450 1.00 0.71 C ATOM 157 CH2 TRP A 10 0.423 -13.533 -2.317 1.00 0.72 C ATOM 0 H TRP A 10 6.900 -9.769 -3.865 1.00 0.33 H new ATOM 0 HA TRP A 10 5.522 -8.898 -1.437 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.193 -9.312 -3.443 1.00 0.38 H new ATOM 0 HB3 TRP A 10 4.857 -10.927 -3.594 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.720 -9.534 -0.184 1.00 0.40 H new ATOM 0 HE1 TRP A 10 1.720 -10.904 0.694 1.00 0.46 H new ATOM 0 HE3 TRP A 10 2.890 -12.367 -4.350 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 0.012 -12.908 -0.315 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 1.039 -13.990 -4.323 1.00 0.71 H new ATOM 0 HH2 TRP A 10 -0.385 -14.250 -2.334 1.00 0.72 H new ATOM 168 N ASN A 11 6.405 -10.586 0.082 1.00 0.34 N ATOM 169 CA ASN A 11 6.808 -11.578 1.059 1.00 0.43 C ATOM 170 C ASN A 11 5.569 -12.321 1.549 1.00 0.45 C ATOM 171 O ASN A 11 4.992 -11.988 2.591 1.00 0.46 O ATOM 172 CB ASN A 11 7.539 -10.909 2.225 1.00 0.47 C ATOM 173 CG ASN A 11 8.417 -11.876 2.990 1.00 0.63 C ATOM 174 OD1 ASN A 11 9.577 -12.091 2.639 1.00 1.39 O ATOM 175 ND2 ASN A 11 7.877 -12.462 4.041 1.00 1.08 N ATOM 0 H ASN A 11 6.199 -9.669 0.479 1.00 0.34 H new ATOM 0 HA ASN A 11 7.495 -12.289 0.600 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.151 -10.091 1.845 1.00 0.47 H new ATOM 0 HB3 ASN A 11 6.808 -10.471 2.905 1.00 0.47 H new ATOM 0 HD21 ASN A 11 8.425 -13.120 4.595 1.00 1.08 H new ATOM 0 HD22 ASN A 11 6.912 -12.257 4.299 1.00 1.08 H new ATOM 182 N GLU A 12 5.161 -13.309 0.762 1.00 0.53 N ATOM 183 CA GLU A 12 3.891 -14.015 0.938 1.00 0.59 C ATOM 184 C GLU A 12 3.684 -14.567 2.350 1.00 0.62 C ATOM 185 O GLU A 12 2.572 -14.504 2.877 1.00 0.65 O ATOM 186 CB GLU A 12 3.786 -15.155 -0.076 1.00 0.76 C ATOM 187 CG GLU A 12 5.010 -16.058 -0.114 1.00 1.09 C ATOM 188 CD GLU A 12 4.786 -17.301 -0.946 1.00 1.43 C ATOM 189 OE1 GLU A 12 4.708 -17.179 -2.188 1.00 1.92 O ATOM 190 OE2 GLU A 12 4.691 -18.404 -0.367 1.00 1.71 O ATOM 0 H GLU A 12 5.708 -13.650 -0.028 1.00 0.53 H new ATOM 0 HA GLU A 12 3.106 -13.277 0.773 1.00 0.59 H new ATOM 0 HB2 GLU A 12 2.909 -15.758 0.159 1.00 0.76 H new ATOM 0 HB3 GLU A 12 3.627 -14.733 -1.068 1.00 0.76 H new ATOM 0 HG2 GLU A 12 5.856 -15.502 -0.518 1.00 1.09 H new ATOM 0 HG3 GLU A 12 5.276 -16.348 0.903 1.00 1.09 H new ATOM 197 N GLY A 13 4.743 -15.082 2.971 1.00 0.65 N ATOM 198 CA GLY A 13 4.597 -15.750 4.251 1.00 0.73 C ATOM 199 C GLY A 13 4.148 -14.816 5.354 1.00 0.70 C ATOM 200 O GLY A 13 3.615 -15.256 6.371 1.00 0.80 O ATOM 0 H GLY A 13 5.697 -15.048 2.611 1.00 0.65 H new ATOM 0 HA2 GLY A 13 3.875 -16.561 4.152 1.00 0.73 H new ATOM 0 HA3 GLY A 13 5.549 -16.203 4.530 1.00 0.73 H new ATOM 204 N LYS A 14 4.360 -13.524 5.152 1.00 0.59 N ATOM 205 CA LYS A 14 4.017 -12.529 6.158 1.00 0.59 C ATOM 206 C LYS A 14 2.885 -11.630 5.666 1.00 0.51 C ATOM 207 O LYS A 14 2.440 -10.736 6.384 1.00 0.55 O ATOM 208 CB LYS A 14 5.242 -11.676 6.514 1.00 0.61 C ATOM 209 CG LYS A 14 6.281 -12.358 7.404 1.00 0.86 C ATOM 210 CD LYS A 14 6.882 -13.604 6.768 1.00 1.21 C ATOM 211 CE LYS A 14 8.072 -14.109 7.562 1.00 1.26 C ATOM 212 NZ LYS A 14 8.639 -15.366 7.004 1.00 1.79 N ATOM 0 H LYS A 14 4.768 -13.140 4.300 1.00 0.59 H new ATOM 0 HA LYS A 14 3.682 -13.056 7.051 1.00 0.59 H new ATOM 0 HB2 LYS A 14 5.728 -11.366 5.589 1.00 0.61 H new ATOM 0 HB3 LYS A 14 4.900 -10.770 7.014 1.00 0.61 H new ATOM 0 HG2 LYS A 14 7.079 -11.651 7.629 1.00 0.86 H new ATOM 0 HG3 LYS A 14 5.818 -12.628 8.353 1.00 0.86 H new ATOM 0 HD2 LYS A 14 6.124 -14.385 6.707 1.00 1.21 H new ATOM 0 HD3 LYS A 14 7.192 -13.380 5.747 1.00 1.21 H new ATOM 0 HE2 LYS A 14 8.846 -13.341 7.578 1.00 1.26 H new ATOM 0 HE3 LYS A 14 7.769 -14.278 8.595 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 9.449 -15.668 7.582 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 7.911 -16.109 7.012 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 8.954 -15.201 6.027 1.00 1.79 H new ATOM 226 N ARG A 15 2.430 -11.889 4.437 1.00 0.45 N ATOM 227 CA ARG A 15 1.357 -11.110 3.807 1.00 0.44 C ATOM 228 C ARG A 15 1.767 -9.651 3.658 1.00 0.37 C ATOM 229 O ARG A 15 1.022 -8.743 4.014 1.00 0.52 O ATOM 230 CB ARG A 15 0.062 -11.198 4.617 1.00 0.56 C ATOM 231 CG ARG A 15 -0.478 -12.603 4.768 1.00 0.66 C ATOM 232 CD ARG A 15 -1.757 -12.613 5.587 1.00 0.87 C ATOM 233 NE ARG A 15 -2.333 -13.952 5.699 1.00 1.83 N ATOM 234 CZ ARG A 15 -3.266 -14.282 6.591 1.00 2.36 C ATOM 235 NH1 ARG A 15 -3.627 -13.416 7.530 1.00 2.32 N ATOM 236 NH2 ARG A 15 -3.804 -15.495 6.574 1.00 3.42 N ATOM 0 H ARG A 15 2.793 -12.641 3.851 1.00 0.45 H new ATOM 0 HA ARG A 15 1.180 -11.535 2.819 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.237 -10.779 5.608 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.696 -10.578 4.138 1.00 0.56 H new ATOM 0 HG2 ARG A 15 -0.670 -13.030 3.784 1.00 0.66 H new ATOM 0 HG3 ARG A 15 0.270 -13.234 5.249 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -1.550 -12.224 6.584 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -2.485 -11.944 5.128 1.00 0.87 H new ATOM 0 HE ARG A 15 -2.002 -14.674 5.059 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -3.190 -12.495 7.570 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -4.342 -13.671 8.212 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -3.503 -16.177 5.877 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -4.518 -15.746 7.258 1.00 3.42 H new ATOM 250 N ARG A 16 2.953 -9.424 3.121 1.00 0.27 N ATOM 251 CA ARG A 16 3.473 -8.072 3.024 1.00 0.24 C ATOM 252 C ARG A 16 4.374 -7.882 1.823 1.00 0.23 C ATOM 253 O ARG A 16 4.807 -8.840 1.197 1.00 0.29 O ATOM 254 CB ARG A 16 4.262 -7.726 4.271 1.00 0.33 C ATOM 255 CG ARG A 16 5.176 -8.843 4.736 1.00 0.55 C ATOM 256 CD ARG A 16 6.158 -8.359 5.780 1.00 0.68 C ATOM 257 NE ARG A 16 7.085 -7.380 5.221 1.00 0.91 N ATOM 258 CZ ARG A 16 8.339 -7.217 5.636 1.00 1.02 C ATOM 259 NH1 ARG A 16 8.793 -7.877 6.695 1.00 1.02 N ATOM 260 NH2 ARG A 16 9.136 -6.373 5.001 1.00 1.86 N ATOM 0 H ARG A 16 3.567 -10.149 2.750 1.00 0.27 H new ATOM 0 HA ARG A 16 2.610 -7.415 2.915 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.859 -6.835 4.078 1.00 0.33 H new ATOM 0 HB3 ARG A 16 3.568 -7.477 5.074 1.00 0.33 H new ATOM 0 HG2 ARG A 16 4.578 -9.656 5.147 1.00 0.55 H new ATOM 0 HG3 ARG A 16 5.721 -9.248 3.883 1.00 0.55 H new ATOM 0 HD2 ARG A 16 5.616 -7.915 6.614 1.00 0.68 H new ATOM 0 HD3 ARG A 16 6.716 -9.206 6.178 1.00 0.68 H new ATOM 0 HE ARG A 16 6.751 -6.783 4.465 1.00 0.91 H new ATOM 0 HH11 ARG A 16 8.179 -8.517 7.199 1.00 1.02 H new ATOM 0 HH12 ARG A 16 9.756 -7.744 7.004 1.00 1.02 H new ATOM 0 HH21 ARG A 16 8.789 -5.850 4.197 1.00 1.86 H new ATOM 0 HH22 ARG A 16 10.098 -6.245 5.316 1.00 1.86 H new ATOM 274 N PHE A 17 4.678 -6.631 1.542 1.00 0.23 N ATOM 275 CA PHE A 17 5.583 -6.278 0.460 1.00 0.24 C ATOM 276 C PHE A 17 6.865 -5.687 1.031 1.00 0.30 C ATOM 277 O PHE A 17 6.889 -5.254 2.183 1.00 0.55 O ATOM 278 CB PHE A 17 4.935 -5.268 -0.487 1.00 0.28 C ATOM 279 CG PHE A 17 3.653 -5.734 -1.111 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.622 -6.891 -1.869 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.477 -5.024 -0.930 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.443 -7.330 -2.437 1.00 0.39 C ATOM 283 CE2 PHE A 17 1.294 -5.461 -1.497 1.00 0.40 C ATOM 284 CZ PHE A 17 1.280 -6.582 -2.279 1.00 0.41 C ATOM 0 H PHE A 17 4.307 -5.830 2.054 1.00 0.23 H new ATOM 0 HA PHE A 17 5.813 -7.184 -0.101 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.743 -4.346 0.062 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.643 -5.026 -1.280 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.530 -7.457 -2.018 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.484 -4.120 -0.340 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.423 -8.250 -3.002 1.00 0.39 H new ATOM 0 HE2 PHE A 17 0.379 -4.915 -1.322 1.00 0.40 H new ATOM 0 HZ PHE A 17 0.369 -6.886 -2.773 1.00 0.41 H new ATOM 294 N GLU A 18 7.920 -5.684 0.231 1.00 0.22 N ATOM 295 CA GLU A 18 9.201 -5.112 0.632 1.00 0.25 C ATOM 296 C GLU A 18 9.941 -4.611 -0.595 1.00 0.29 C ATOM 297 O GLU A 18 10.163 -5.364 -1.536 1.00 0.39 O ATOM 298 CB GLU A 18 10.037 -6.172 1.356 1.00 0.34 C ATOM 299 CG GLU A 18 11.147 -5.610 2.223 1.00 1.08 C ATOM 300 CD GLU A 18 11.916 -6.699 2.949 1.00 0.96 C ATOM 301 OE1 GLU A 18 12.654 -7.459 2.289 1.00 0.85 O ATOM 302 OE2 GLU A 18 11.780 -6.805 4.184 1.00 1.16 O ATOM 0 H GLU A 18 7.915 -6.076 -0.711 1.00 0.22 H new ATOM 0 HA GLU A 18 9.029 -4.276 1.309 1.00 0.25 H new ATOM 0 HB2 GLU A 18 9.376 -6.775 1.979 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.475 -6.841 0.615 1.00 0.34 H new ATOM 0 HG2 GLU A 18 11.834 -5.035 1.603 1.00 1.08 H new ATOM 0 HG3 GLU A 18 10.722 -4.920 2.952 1.00 1.08 H new ATOM 309 N THR A 19 10.305 -3.335 -0.590 1.00 0.25 N ATOM 310 CA THR A 19 11.035 -2.748 -1.700 1.00 0.29 C ATOM 311 C THR A 19 12.390 -3.442 -1.876 1.00 0.35 C ATOM 312 O THR A 19 12.817 -4.214 -1.015 1.00 0.37 O ATOM 313 CB THR A 19 11.245 -1.231 -1.480 1.00 0.33 C ATOM 314 OG1 THR A 19 11.787 -0.623 -2.659 1.00 0.46 O ATOM 315 CG2 THR A 19 12.177 -0.976 -0.310 1.00 0.37 C ATOM 0 H THR A 19 10.105 -2.688 0.173 1.00 0.25 H new ATOM 0 HA THR A 19 10.444 -2.889 -2.605 1.00 0.29 H new ATOM 0 HB THR A 19 10.273 -0.790 -1.260 1.00 0.33 H new ATOM 0 HG1 THR A 19 11.912 0.337 -2.504 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.308 0.098 -0.177 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.749 -1.405 0.596 1.00 0.37 H new ATOM 0 HG23 THR A 19 13.144 -1.438 -0.508 1.00 0.37 H new ATOM 323 N GLU A 20 13.077 -3.136 -2.972 1.00 0.43 N ATOM 324 CA GLU A 20 14.394 -3.711 -3.253 1.00 0.53 C ATOM 325 C GLU A 20 15.399 -3.248 -2.217 1.00 0.56 C ATOM 326 O GLU A 20 16.517 -3.751 -2.136 1.00 0.68 O ATOM 327 CB GLU A 20 14.864 -3.305 -4.649 1.00 0.62 C ATOM 328 CG GLU A 20 15.102 -1.814 -4.800 1.00 0.77 C ATOM 329 CD GLU A 20 15.462 -1.423 -6.215 1.00 1.31 C ATOM 330 OE1 GLU A 20 16.638 -1.601 -6.600 1.00 1.83 O ATOM 331 OE2 GLU A 20 14.577 -0.938 -6.950 1.00 1.90 O ATOM 0 H GLU A 20 12.743 -2.489 -3.686 1.00 0.43 H new ATOM 0 HA GLU A 20 14.314 -4.797 -3.210 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.786 -3.837 -4.882 1.00 0.62 H new ATOM 0 HB3 GLU A 20 14.120 -3.622 -5.380 1.00 0.62 H new ATOM 0 HG2 GLU A 20 14.206 -1.274 -4.495 1.00 0.77 H new ATOM 0 HG3 GLU A 20 15.903 -1.508 -4.127 1.00 0.77 H new ATOM 338 N ASP A 21 14.965 -2.301 -1.411 1.00 0.52 N ATOM 339 CA ASP A 21 15.814 -1.718 -0.394 1.00 0.60 C ATOM 340 C ASP A 21 15.613 -2.476 0.909 1.00 0.54 C ATOM 341 O ASP A 21 16.448 -2.432 1.806 1.00 0.59 O ATOM 342 CB ASP A 21 15.481 -0.232 -0.240 1.00 0.67 C ATOM 343 CG ASP A 21 16.476 0.537 0.599 1.00 0.97 C ATOM 344 OD1 ASP A 21 17.665 0.168 0.615 1.00 1.39 O ATOM 345 OD2 ASP A 21 16.065 1.549 1.206 1.00 1.31 O ATOM 0 H ASP A 21 14.021 -1.916 -1.442 1.00 0.52 H new ATOM 0 HA ASP A 21 16.863 -1.796 -0.679 1.00 0.60 H new ATOM 0 HB2 ASP A 21 15.428 0.222 -1.229 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.492 -0.136 0.209 1.00 0.67 H new ATOM 350 N HIS A 22 14.482 -3.188 0.977 1.00 0.45 N ATOM 351 CA HIS A 22 14.149 -4.092 2.086 1.00 0.45 C ATOM 352 C HIS A 22 13.837 -3.347 3.384 1.00 0.44 C ATOM 353 O HIS A 22 13.215 -3.902 4.289 1.00 0.51 O ATOM 354 CB HIS A 22 15.270 -5.110 2.316 1.00 0.57 C ATOM 355 CG HIS A 22 15.519 -5.990 1.131 1.00 0.64 C ATOM 356 ND1 HIS A 22 14.709 -7.051 0.801 1.00 0.65 N ATOM 357 CD2 HIS A 22 16.481 -5.946 0.183 1.00 0.74 C ATOM 358 CE1 HIS A 22 15.159 -7.624 -0.296 1.00 0.76 C ATOM 359 NE2 HIS A 22 16.236 -6.974 -0.696 1.00 0.82 N ATOM 0 H HIS A 22 13.763 -3.153 0.255 1.00 0.45 H new ATOM 0 HA HIS A 22 13.241 -4.619 1.792 1.00 0.45 H new ATOM 0 HB2 HIS A 22 16.189 -4.579 2.566 1.00 0.57 H new ATOM 0 HB3 HIS A 22 15.017 -5.731 3.175 1.00 0.57 H new ATOM 0 HD1 HIS A 22 13.886 -7.348 1.325 1.00 0.65 H new ATOM 0 HD2 HIS A 22 17.292 -5.235 0.126 1.00 0.74 H new ATOM 0 HE1 HIS A 22 14.721 -8.481 -0.786 1.00 0.76 H new ATOM 368 N GLU A 23 14.255 -2.096 3.471 1.00 0.47 N ATOM 369 CA GLU A 23 14.032 -1.299 4.667 1.00 0.52 C ATOM 370 C GLU A 23 12.681 -0.597 4.576 1.00 0.40 C ATOM 371 O GLU A 23 12.165 -0.077 5.563 1.00 0.49 O ATOM 372 CB GLU A 23 15.157 -0.278 4.827 1.00 0.69 C ATOM 373 CG GLU A 23 16.551 -0.860 4.627 1.00 0.84 C ATOM 374 CD GLU A 23 16.913 -1.915 5.655 1.00 1.51 C ATOM 375 OE1 GLU A 23 16.417 -3.055 5.541 1.00 2.28 O ATOM 376 OE2 GLU A 23 17.671 -1.610 6.598 1.00 1.72 O ATOM 0 H GLU A 23 14.752 -1.608 2.726 1.00 0.47 H new ATOM 0 HA GLU A 23 14.028 -1.951 5.540 1.00 0.52 H new ATOM 0 HB2 GLU A 23 15.005 0.530 4.112 1.00 0.69 H new ATOM 0 HB3 GLU A 23 15.097 0.162 5.823 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.616 -1.296 3.630 1.00 0.84 H new ATOM 0 HG3 GLU A 23 17.283 -0.054 4.670 1.00 0.84 H new ATOM 383 N ALA A 24 12.122 -0.590 3.375 1.00 0.29 N ATOM 384 CA ALA A 24 10.797 -0.040 3.147 1.00 0.22 C ATOM 385 C ALA A 24 9.836 -1.162 2.804 1.00 0.17 C ATOM 386 O ALA A 24 10.107 -1.969 1.910 1.00 0.19 O ATOM 387 CB ALA A 24 10.821 0.993 2.033 1.00 0.26 C ATOM 0 H ALA A 24 12.571 -0.962 2.538 1.00 0.29 H new ATOM 0 HA ALA A 24 10.463 0.458 4.057 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.817 1.389 1.882 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.495 1.806 2.305 1.00 0.26 H new ATOM 0 HB3 ALA A 24 11.169 0.526 1.111 1.00 0.26 H new ATOM 393 N PHE A 25 8.719 -1.215 3.505 1.00 0.14 N ATOM 394 CA PHE A 25 7.788 -2.315 3.350 1.00 0.15 C ATOM 395 C PHE A 25 6.374 -1.910 3.729 1.00 0.15 C ATOM 396 O PHE A 25 6.156 -0.872 4.356 1.00 0.17 O ATOM 397 CB PHE A 25 8.223 -3.503 4.209 1.00 0.23 C ATOM 398 CG PHE A 25 8.400 -3.181 5.671 1.00 0.30 C ATOM 399 CD1 PHE A 25 9.624 -2.751 6.159 1.00 0.37 C ATOM 400 CD2 PHE A 25 7.342 -3.313 6.557 1.00 0.39 C ATOM 401 CE1 PHE A 25 9.788 -2.456 7.500 1.00 0.47 C ATOM 402 CE2 PHE A 25 7.499 -3.021 7.898 1.00 0.49 C ATOM 403 CZ PHE A 25 8.722 -2.592 8.370 1.00 0.52 C ATOM 0 H PHE A 25 8.435 -0.510 4.186 1.00 0.14 H new ATOM 0 HA PHE A 25 7.793 -2.600 2.298 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.483 -4.297 4.111 1.00 0.23 H new ATOM 0 HB3 PHE A 25 9.163 -3.893 3.819 1.00 0.23 H new ATOM 0 HD1 PHE A 25 10.460 -2.645 5.484 1.00 0.37 H new ATOM 0 HD2 PHE A 25 6.382 -3.649 6.194 1.00 0.39 H new ATOM 0 HE1 PHE A 25 10.747 -2.120 7.867 1.00 0.47 H new ATOM 0 HE2 PHE A 25 6.665 -3.128 8.576 1.00 0.49 H new ATOM 0 HZ PHE A 25 8.847 -2.363 9.418 1.00 0.52 H new ATOM 413 N ILE A 26 5.427 -2.747 3.344 1.00 0.20 N ATOM 414 CA ILE A 26 4.038 -2.566 3.706 1.00 0.23 C ATOM 415 C ILE A 26 3.436 -3.918 4.058 1.00 0.23 C ATOM 416 O ILE A 26 3.726 -4.913 3.393 1.00 0.26 O ATOM 417 CB ILE A 26 3.235 -1.883 2.562 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.547 -0.636 3.108 1.00 0.41 C ATOM 419 CG2 ILE A 26 2.214 -2.825 1.919 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.603 0.022 2.132 1.00 0.73 C ATOM 0 H ILE A 26 5.603 -3.572 2.771 1.00 0.20 H new ATOM 0 HA ILE A 26 3.983 -1.906 4.572 1.00 0.23 H new ATOM 0 HB ILE A 26 3.938 -1.606 1.776 1.00 0.31 H new ATOM 0 HG12 ILE A 26 1.994 -0.904 4.008 1.00 0.41 H new ATOM 0 HG13 ILE A 26 3.308 0.086 3.404 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.681 -2.298 1.127 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.730 -3.688 1.498 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.503 -3.161 2.674 1.00 0.39 H new ATOM 0 HD11 ILE A 26 1.154 0.901 2.596 1.00 0.73 H new ATOM 0 HD12 ILE A 26 2.153 0.323 1.240 1.00 0.73 H new ATOM 0 HD13 ILE A 26 0.818 -0.682 1.854 1.00 0.73 H new ATOM 432 N GLU A 27 2.643 -3.965 5.117 1.00 0.22 N ATOM 433 CA GLU A 27 1.983 -5.204 5.511 1.00 0.23 C ATOM 434 C GLU A 27 0.509 -5.130 5.132 1.00 0.22 C ATOM 435 O GLU A 27 -0.037 -4.041 4.985 1.00 0.27 O ATOM 436 CB GLU A 27 2.135 -5.442 7.023 1.00 0.26 C ATOM 437 CG GLU A 27 1.540 -6.764 7.500 1.00 0.65 C ATOM 438 CD GLU A 27 1.605 -6.937 9.006 1.00 1.14 C ATOM 439 OE1 GLU A 27 2.633 -7.444 9.510 1.00 1.23 O ATOM 440 OE2 GLU A 27 0.636 -6.559 9.694 1.00 1.65 O ATOM 0 H GLU A 27 2.440 -3.166 5.717 1.00 0.22 H new ATOM 0 HA GLU A 27 2.450 -6.039 4.990 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.194 -5.416 7.281 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.656 -4.624 7.560 1.00 0.26 H new ATOM 0 HG2 GLU A 27 0.500 -6.825 7.178 1.00 0.65 H new ATOM 0 HG3 GLU A 27 2.071 -7.588 7.022 1.00 0.65 H new ATOM 447 N TYR A 28 -0.140 -6.269 4.939 1.00 0.23 N ATOM 448 CA TYR A 28 -1.570 -6.257 4.722 1.00 0.22 C ATOM 449 C TYR A 28 -2.187 -7.575 5.143 1.00 0.28 C ATOM 450 O TYR A 28 -1.555 -8.624 5.080 1.00 0.45 O ATOM 451 CB TYR A 28 -1.916 -5.923 3.261 1.00 0.29 C ATOM 452 CG TYR A 28 -1.548 -6.981 2.242 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.431 -8.007 1.933 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.333 -6.935 1.572 1.00 0.40 C ATOM 455 CE1 TYR A 28 -2.116 -8.957 0.982 1.00 0.56 C ATOM 456 CE2 TYR A 28 -0.008 -7.886 0.624 1.00 0.50 C ATOM 457 CZ TYR A 28 -0.903 -8.892 0.333 1.00 0.60 C ATOM 458 OH TYR A 28 -0.595 -9.828 -0.626 1.00 0.70 O ATOM 0 H TYR A 28 0.294 -7.192 4.929 1.00 0.23 H new ATOM 0 HA TYR A 28 -1.995 -5.469 5.344 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -2.988 -5.737 3.194 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.414 -4.994 2.991 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.380 -8.063 2.445 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.368 -6.144 1.795 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.816 -9.746 0.749 1.00 0.56 H new ATOM 0 HE2 TYR A 28 0.943 -7.841 0.114 1.00 0.50 H new ATOM 0 HH TYR A 28 0.289 -10.208 -0.440 1.00 0.70 H new ATOM 468 N LYS A 29 -3.420 -7.512 5.591 1.00 0.24 N ATOM 469 CA LYS A 29 -4.103 -8.685 6.085 1.00 0.32 C ATOM 470 C LYS A 29 -5.481 -8.770 5.469 1.00 0.25 C ATOM 471 O LYS A 29 -6.135 -7.755 5.233 1.00 0.31 O ATOM 472 CB LYS A 29 -4.165 -8.711 7.626 1.00 0.49 C ATOM 473 CG LYS A 29 -4.681 -7.444 8.309 1.00 0.58 C ATOM 474 CD LYS A 29 -3.747 -6.248 8.154 1.00 0.74 C ATOM 475 CE LYS A 29 -2.285 -6.584 8.440 1.00 1.09 C ATOM 476 NZ LYS A 29 -2.033 -6.925 9.863 1.00 1.52 N ATOM 0 H LYS A 29 -3.973 -6.655 5.623 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.533 -9.565 5.788 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -4.800 -9.544 7.928 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -3.164 -8.919 8.004 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -5.657 -7.189 7.896 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -4.827 -7.646 9.370 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -3.832 -5.859 7.139 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -4.069 -5.454 8.828 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -1.982 -7.422 7.813 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -1.662 -5.735 8.160 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -1.038 -6.731 10.095 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -2.649 -6.350 10.472 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -2.235 -7.933 10.019 1.00 1.52 H new ATOM 490 N MET A 30 -5.912 -9.982 5.194 1.00 0.32 N ATOM 491 CA MET A 30 -7.102 -10.200 4.403 1.00 0.27 C ATOM 492 C MET A 30 -8.325 -10.348 5.303 1.00 0.30 C ATOM 493 O MET A 30 -8.469 -11.319 6.043 1.00 0.39 O ATOM 494 CB MET A 30 -6.909 -11.439 3.527 1.00 0.36 C ATOM 495 CG MET A 30 -5.618 -11.408 2.722 1.00 1.00 C ATOM 496 SD MET A 30 -5.233 -12.985 1.934 1.00 1.12 S ATOM 497 CE MET A 30 -6.661 -13.211 0.879 1.00 1.85 C ATOM 0 H MET A 30 -5.452 -10.836 5.509 1.00 0.32 H new ATOM 0 HA MET A 30 -7.271 -9.337 3.759 1.00 0.27 H new ATOM 0 HB2 MET A 30 -6.915 -12.327 4.159 1.00 0.36 H new ATOM 0 HB3 MET A 30 -7.754 -11.528 2.844 1.00 0.36 H new ATOM 0 HG2 MET A 30 -5.693 -10.636 1.957 1.00 1.00 H new ATOM 0 HG3 MET A 30 -4.795 -11.127 3.379 1.00 1.00 H new ATOM 0 HE1 MET A 30 -7.316 -13.967 1.311 1.00 1.85 H new ATOM 0 HE2 MET A 30 -7.202 -12.269 0.792 1.00 1.85 H new ATOM 0 HE3 MET A 30 -6.335 -13.535 -0.110 1.00 1.85 H new ATOM 507 N ARG A 31 -9.177 -9.348 5.232 1.00 0.29 N ATOM 508 CA ARG A 31 -10.420 -9.288 5.977 1.00 0.39 C ATOM 509 C ARG A 31 -11.515 -10.042 5.243 1.00 0.42 C ATOM 510 O ARG A 31 -11.373 -10.356 4.057 1.00 0.38 O ATOM 511 CB ARG A 31 -10.860 -7.830 6.113 1.00 0.46 C ATOM 512 CG ARG A 31 -10.295 -7.063 7.295 1.00 0.67 C ATOM 513 CD ARG A 31 -8.786 -7.086 7.340 1.00 0.66 C ATOM 514 NE ARG A 31 -8.272 -6.170 8.356 1.00 0.98 N ATOM 515 CZ ARG A 31 -7.749 -6.544 9.519 1.00 1.28 C ATOM 516 NH1 ARG A 31 -7.710 -7.828 9.857 1.00 1.41 N ATOM 517 NH2 ARG A 31 -7.269 -5.623 10.348 1.00 2.03 N ATOM 0 H ARG A 31 -9.022 -8.532 4.640 1.00 0.29 H new ATOM 0 HA ARG A 31 -10.256 -9.737 6.957 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.584 -7.303 5.200 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.948 -7.806 6.178 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -10.637 -6.029 7.248 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -10.688 -7.487 8.219 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -8.442 -8.098 7.552 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -8.387 -6.811 6.364 1.00 0.66 H new ATOM 0 HE ARG A 31 -8.318 -5.170 8.158 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -8.083 -8.534 9.222 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -7.307 -8.108 10.751 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -7.304 -4.637 10.090 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -6.866 -5.902 11.242 1.00 2.03 H new ATOM 531 N ASN A 32 -12.606 -10.312 5.950 1.00 0.55 N ATOM 532 CA ASN A 32 -13.817 -10.863 5.347 1.00 0.64 C ATOM 533 C ASN A 32 -13.522 -12.180 4.644 1.00 0.65 C ATOM 534 O ASN A 32 -13.849 -12.350 3.468 1.00 0.66 O ATOM 535 CB ASN A 32 -14.401 -9.857 4.351 1.00 0.64 C ATOM 536 CG ASN A 32 -15.914 -9.894 4.290 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.508 -10.609 3.483 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.544 -9.113 5.150 1.00 0.99 N ATOM 0 H ASN A 32 -12.678 -10.156 6.955 1.00 0.55 H new ATOM 0 HA ASN A 32 -14.542 -11.054 6.138 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.079 -8.853 4.626 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.998 -10.061 3.359 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.564 -9.086 5.163 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -16.011 -8.537 5.801 1.00 0.99 H new ATOM 545 N ASN A 33 -12.856 -13.083 5.365 1.00 0.73 N ATOM 546 CA ASN A 33 -12.486 -14.407 4.850 1.00 0.83 C ATOM 547 C ASN A 33 -11.316 -14.309 3.865 1.00 0.78 C ATOM 548 O ASN A 33 -10.716 -15.316 3.481 1.00 1.04 O ATOM 549 CB ASN A 33 -13.709 -15.107 4.221 1.00 0.95 C ATOM 550 CG ASN A 33 -13.346 -16.319 3.382 1.00 1.62 C ATOM 551 OD1 ASN A 33 -13.134 -17.413 3.904 1.00 1.82 O ATOM 552 ND2 ASN A 33 -13.308 -16.138 2.072 1.00 2.33 N ATOM 0 H ASN A 33 -12.556 -12.919 6.326 1.00 0.73 H new ATOM 0 HA ASN A 33 -12.150 -15.020 5.687 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -14.390 -15.415 5.015 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -14.247 -14.392 3.599 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -13.097 -16.922 1.455 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -13.490 -15.214 1.679 1.00 2.33 H new ATOM 559 N GLY A 34 -10.959 -13.088 3.504 1.00 0.55 N ATOM 560 CA GLY A 34 -9.892 -12.880 2.555 1.00 0.52 C ATOM 561 C GLY A 34 -10.370 -12.205 1.287 1.00 0.48 C ATOM 562 O GLY A 34 -9.885 -12.503 0.197 1.00 0.62 O ATOM 0 H GLY A 34 -11.393 -12.234 3.854 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.113 -12.272 3.016 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -9.440 -13.840 2.304 1.00 0.52 H new ATOM 566 N LYS A 35 -11.329 -11.299 1.432 1.00 0.40 N ATOM 567 CA LYS A 35 -11.870 -10.565 0.292 1.00 0.40 C ATOM 568 C LYS A 35 -11.624 -9.073 0.450 1.00 0.28 C ATOM 569 O LYS A 35 -12.017 -8.267 -0.396 1.00 0.28 O ATOM 570 CB LYS A 35 -13.368 -10.834 0.150 1.00 0.52 C ATOM 571 CG LYS A 35 -13.699 -12.299 -0.051 1.00 0.67 C ATOM 572 CD LYS A 35 -13.031 -12.846 -1.304 1.00 0.85 C ATOM 573 CE LYS A 35 -13.418 -14.291 -1.575 1.00 1.14 C ATOM 574 NZ LYS A 35 -14.866 -14.434 -1.878 1.00 1.60 N ATOM 0 H LYS A 35 -11.749 -11.054 2.328 1.00 0.40 H new ATOM 0 HA LYS A 35 -11.361 -10.909 -0.608 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -13.881 -10.472 1.041 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -13.754 -10.263 -0.694 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -13.373 -12.871 0.818 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -14.779 -12.424 -0.127 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -13.308 -12.231 -2.160 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -11.949 -12.775 -1.197 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -12.833 -14.672 -2.413 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -13.167 -14.902 -0.708 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -15.050 -15.387 -2.252 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -15.418 -14.291 -1.009 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -15.144 -13.724 -2.586 1.00 1.60 H new ATOM 588 N VAL A 36 -10.989 -8.713 1.549 1.00 0.25 N ATOM 589 CA VAL A 36 -10.634 -7.331 1.821 1.00 0.19 C ATOM 590 C VAL A 36 -9.182 -7.254 2.274 1.00 0.16 C ATOM 591 O VAL A 36 -8.794 -7.909 3.223 1.00 0.22 O ATOM 592 CB VAL A 36 -11.557 -6.730 2.903 1.00 0.24 C ATOM 593 CG1 VAL A 36 -11.039 -5.379 3.364 1.00 0.31 C ATOM 594 CG2 VAL A 36 -12.979 -6.600 2.380 1.00 0.30 C ATOM 0 H VAL A 36 -10.705 -9.368 2.278 1.00 0.25 H new ATOM 0 HA VAL A 36 -10.760 -6.753 0.905 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.561 -7.406 3.758 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.705 -4.975 4.126 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -10.039 -5.496 3.781 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -11.001 -4.695 2.516 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.615 -6.175 3.157 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -12.987 -5.948 1.507 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.356 -7.584 2.101 1.00 0.30 H new ATOM 604 N MET A 37 -8.380 -6.465 1.595 1.00 0.15 N ATOM 605 CA MET A 37 -6.978 -6.339 1.945 1.00 0.18 C ATOM 606 C MET A 37 -6.741 -5.120 2.802 1.00 0.16 C ATOM 607 O MET A 37 -6.845 -3.994 2.336 1.00 0.17 O ATOM 608 CB MET A 37 -6.109 -6.258 0.685 1.00 0.24 C ATOM 609 CG MET A 37 -5.489 -7.579 0.263 1.00 0.51 C ATOM 610 SD MET A 37 -6.704 -8.872 -0.046 1.00 1.03 S ATOM 611 CE MET A 37 -5.650 -10.171 -0.679 1.00 1.66 C ATOM 0 H MET A 37 -8.672 -5.900 0.797 1.00 0.15 H new ATOM 0 HA MET A 37 -6.700 -7.227 2.513 1.00 0.18 H new ATOM 0 HB2 MET A 37 -6.716 -5.877 -0.136 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.312 -5.534 0.854 1.00 0.24 H new ATOM 0 HG2 MET A 37 -4.898 -7.423 -0.639 1.00 0.51 H new ATOM 0 HG3 MET A 37 -4.802 -7.914 1.040 1.00 0.51 H new ATOM 0 HE1 MET A 37 -6.255 -11.046 -0.919 1.00 1.66 H new ATOM 0 HE2 MET A 37 -5.143 -9.822 -1.579 1.00 1.66 H new ATOM 0 HE3 MET A 37 -4.909 -10.438 0.074 1.00 1.66 H new ATOM 621 N ASP A 38 -6.427 -5.348 4.057 1.00 0.17 N ATOM 622 CA ASP A 38 -6.144 -4.260 4.967 1.00 0.18 C ATOM 623 C ASP A 38 -4.681 -3.888 4.864 1.00 0.18 C ATOM 624 O ASP A 38 -3.816 -4.624 5.327 1.00 0.20 O ATOM 625 CB ASP A 38 -6.472 -4.683 6.394 1.00 0.24 C ATOM 626 CG ASP A 38 -6.820 -3.530 7.309 1.00 0.32 C ATOM 627 OD1 ASP A 38 -5.954 -2.645 7.489 1.00 0.97 O ATOM 628 OD2 ASP A 38 -7.957 -3.468 7.808 1.00 0.81 O ATOM 0 H ASP A 38 -6.361 -6.278 4.472 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.756 -3.397 4.704 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.308 -5.382 6.372 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.619 -5.219 6.809 1.00 0.24 H new ATOM 633 N LEU A 39 -4.414 -2.754 4.246 1.00 0.18 N ATOM 634 CA LEU A 39 -3.054 -2.290 4.041 1.00 0.19 C ATOM 635 C LEU A 39 -2.568 -1.619 5.303 1.00 0.20 C ATOM 636 O LEU A 39 -2.937 -0.488 5.595 1.00 0.28 O ATOM 637 CB LEU A 39 -2.978 -1.319 2.853 1.00 0.20 C ATOM 638 CG LEU A 39 -2.964 -1.956 1.461 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.032 -3.025 1.308 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.141 -0.882 0.401 1.00 0.22 C ATOM 0 H LEU A 39 -5.130 -2.130 3.873 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.416 -3.144 3.811 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -3.828 -0.640 2.911 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.078 -0.714 2.962 1.00 0.20 H new ATOM 0 HG LEU A 39 -1.998 -2.444 1.332 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -3.983 -3.448 0.304 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -3.866 -3.813 2.042 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.015 -2.582 1.467 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.130 -1.341 -0.588 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.093 -0.373 0.554 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.327 -0.160 0.475 1.00 0.22 H new ATOM 652 N VAL A 40 -1.755 -2.325 6.053 1.00 0.17 N ATOM 653 CA VAL A 40 -1.316 -1.857 7.344 1.00 0.20 C ATOM 654 C VAL A 40 0.172 -1.535 7.331 1.00 0.18 C ATOM 655 O VAL A 40 0.995 -2.373 6.963 1.00 0.23 O ATOM 656 CB VAL A 40 -1.614 -2.906 8.440 1.00 0.29 C ATOM 657 CG1 VAL A 40 -0.851 -2.601 9.717 1.00 0.84 C ATOM 658 CG2 VAL A 40 -3.104 -2.964 8.724 1.00 0.88 C ATOM 0 H VAL A 40 -1.381 -3.236 5.786 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.869 -0.945 7.569 1.00 0.20 H new ATOM 0 HB VAL A 40 -1.283 -3.877 8.072 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.082 -3.356 10.468 1.00 0.84 H new ATOM 0 HG12 VAL A 40 0.219 -2.609 9.512 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.142 -1.619 10.089 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -3.298 -3.707 9.498 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.448 -1.987 9.064 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -3.637 -3.240 7.814 1.00 0.88 H new ATOM 668 N HIS A 41 0.494 -0.301 7.700 1.00 0.16 N ATOM 669 CA HIS A 41 1.867 0.104 7.983 1.00 0.17 C ATOM 670 C HIS A 41 2.696 0.306 6.722 1.00 0.14 C ATOM 671 O HIS A 41 3.227 -0.645 6.157 1.00 0.17 O ATOM 672 CB HIS A 41 2.550 -0.932 8.898 1.00 0.22 C ATOM 673 CG HIS A 41 3.845 -0.486 9.515 1.00 0.42 C ATOM 674 ND1 HIS A 41 4.091 -0.582 10.863 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.975 0.024 8.967 1.00 0.56 C ATOM 676 CE1 HIS A 41 5.306 -0.149 11.121 1.00 1.03 C ATOM 677 NE2 HIS A 41 5.869 0.224 9.989 1.00 0.67 N ATOM 0 H HIS A 41 -0.189 0.448 7.812 1.00 0.16 H new ATOM 0 HA HIS A 41 1.812 1.068 8.489 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.858 -1.199 9.697 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.734 -1.838 8.320 1.00 0.22 H new ATOM 0 HD2 HIS A 41 5.141 0.234 7.921 1.00 0.56 H new ATOM 0 HE1 HIS A 41 5.766 -0.106 12.097 1.00 1.03 H new ATOM 0 HE2 HIS A 41 6.812 0.599 9.889 1.00 0.67 H new ATOM 686 N THR A 42 2.810 1.551 6.294 1.00 0.16 N ATOM 687 CA THR A 42 3.772 1.906 5.268 1.00 0.16 C ATOM 688 C THR A 42 5.084 2.285 5.947 1.00 0.20 C ATOM 689 O THR A 42 5.077 2.913 7.013 1.00 0.31 O ATOM 690 CB THR A 42 3.286 3.087 4.394 1.00 0.20 C ATOM 691 OG1 THR A 42 4.184 3.291 3.302 1.00 0.22 O ATOM 692 CG2 THR A 42 3.192 4.365 5.216 1.00 0.31 C ATOM 0 H THR A 42 2.250 2.330 6.640 1.00 0.16 H new ATOM 0 HA THR A 42 3.903 1.047 4.610 1.00 0.16 H new ATOM 0 HB THR A 42 2.296 2.841 4.011 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.689 3.239 2.458 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.848 5.182 4.581 1.00 0.31 H new ATOM 0 HG22 THR A 42 2.487 4.220 6.034 1.00 0.31 H new ATOM 0 HG23 THR A 42 4.174 4.609 5.622 1.00 0.31 H new ATOM 700 N TYR A 43 6.199 1.861 5.388 1.00 0.22 N ATOM 701 CA TYR A 43 7.486 2.263 5.919 1.00 0.29 C ATOM 702 C TYR A 43 8.475 2.506 4.795 1.00 0.27 C ATOM 703 O TYR A 43 8.410 1.856 3.758 1.00 0.37 O ATOM 704 CB TYR A 43 8.025 1.213 6.885 1.00 0.45 C ATOM 705 CG TYR A 43 9.065 1.774 7.821 1.00 0.74 C ATOM 706 CD1 TYR A 43 8.796 2.863 8.637 1.00 1.15 C ATOM 707 CD2 TYR A 43 10.320 1.193 7.893 1.00 0.94 C ATOM 708 CE1 TYR A 43 9.757 3.361 9.493 1.00 1.53 C ATOM 709 CE2 TYR A 43 11.283 1.681 8.744 1.00 1.34 C ATOM 710 CZ TYR A 43 10.957 2.846 9.543 1.00 1.58 C ATOM 711 OH TYR A 43 11.961 3.261 10.393 1.00 2.02 O ATOM 0 H TYR A 43 6.241 1.245 4.576 1.00 0.22 H new ATOM 0 HA TYR A 43 7.350 3.195 6.468 1.00 0.29 H new ATOM 0 HB2 TYR A 43 7.200 0.801 7.467 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.457 0.389 6.318 1.00 0.45 H new ATOM 0 HD1 TYR A 43 7.822 3.327 8.602 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.546 0.341 7.269 1.00 0.94 H new ATOM 0 HE1 TYR A 43 9.512 4.194 10.135 1.00 1.53 H new ATOM 0 HE2 TYR A 43 12.253 1.211 8.815 1.00 1.34 H new ATOM 0 HH TYR A 43 12.764 2.720 10.240 1.00 2.02 H new ATOM 721 N VAL A 44 9.382 3.445 5.012 1.00 0.25 N ATOM 722 CA VAL A 44 10.402 3.768 4.029 1.00 0.28 C ATOM 723 C VAL A 44 11.549 4.540 4.698 1.00 0.34 C ATOM 724 O VAL A 44 11.308 5.409 5.542 1.00 0.36 O ATOM 725 CB VAL A 44 9.805 4.589 2.854 1.00 0.33 C ATOM 726 CG1 VAL A 44 9.221 5.909 3.336 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.846 4.826 1.776 1.00 0.60 C ATOM 0 H VAL A 44 9.432 4.000 5.866 1.00 0.25 H new ATOM 0 HA VAL A 44 10.793 2.837 3.620 1.00 0.28 H new ATOM 0 HB VAL A 44 8.992 4.003 2.424 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.812 6.457 2.487 1.00 0.71 H new ATOM 0 HG12 VAL A 44 8.428 5.714 4.058 1.00 0.71 H new ATOM 0 HG13 VAL A 44 10.004 6.502 3.808 1.00 0.71 H new ATOM 0 HG21 VAL A 44 10.404 5.403 0.964 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.687 5.377 2.197 1.00 0.60 H new ATOM 0 HG23 VAL A 44 11.196 3.868 1.392 1.00 0.60 H new ATOM 737 N PRO A 45 12.811 4.195 4.372 1.00 0.41 N ATOM 738 CA PRO A 45 13.990 4.888 4.906 1.00 0.48 C ATOM 739 C PRO A 45 14.096 6.323 4.409 1.00 0.51 C ATOM 740 O PRO A 45 13.415 6.714 3.457 1.00 0.50 O ATOM 741 CB PRO A 45 15.178 4.075 4.379 1.00 0.61 C ATOM 742 CG PRO A 45 14.602 2.797 3.884 1.00 0.79 C ATOM 743 CD PRO A 45 13.190 3.092 3.482 1.00 0.48 C ATOM 0 HA PRO A 45 13.946 4.951 5.993 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.693 4.608 3.580 1.00 0.61 H new ATOM 0 HB3 PRO A 45 15.910 3.896 5.166 1.00 0.61 H new ATOM 0 HG2 PRO A 45 15.174 2.416 3.038 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.632 2.032 4.660 1.00 0.79 H new ATOM 0 HD2 PRO A 45 13.122 3.380 2.433 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.543 2.225 3.617 1.00 0.48 H new ATOM 751 N SER A 46 14.995 7.085 5.023 1.00 0.63 N ATOM 752 CA SER A 46 15.155 8.502 4.724 1.00 0.77 C ATOM 753 C SER A 46 15.552 8.735 3.267 1.00 0.80 C ATOM 754 O SER A 46 15.357 9.825 2.728 1.00 0.94 O ATOM 755 CB SER A 46 16.199 9.106 5.663 1.00 0.91 C ATOM 756 OG SER A 46 15.823 8.921 7.019 1.00 1.39 O ATOM 0 H SER A 46 15.632 6.738 5.740 1.00 0.63 H new ATOM 0 HA SER A 46 14.194 8.992 4.879 1.00 0.77 H new ATOM 0 HB2 SER A 46 17.169 8.642 5.483 1.00 0.91 H new ATOM 0 HB3 SER A 46 16.311 10.170 5.454 1.00 0.91 H new ATOM 0 HG SER A 46 16.505 9.313 7.604 1.00 1.39 H new ATOM 762 N PHE A 47 16.082 7.698 2.632 1.00 0.75 N ATOM 763 CA PHE A 47 16.532 7.790 1.250 1.00 0.80 C ATOM 764 C PHE A 47 15.359 7.985 0.290 1.00 0.73 C ATOM 765 O PHE A 47 15.512 8.587 -0.771 1.00 0.82 O ATOM 766 CB PHE A 47 17.295 6.521 0.858 1.00 0.83 C ATOM 767 CG PHE A 47 18.426 6.176 1.784 1.00 1.39 C ATOM 768 CD1 PHE A 47 19.616 6.881 1.739 1.00 1.61 C ATOM 769 CD2 PHE A 47 18.297 5.143 2.699 1.00 2.13 C ATOM 770 CE1 PHE A 47 20.658 6.564 2.589 1.00 2.39 C ATOM 771 CE2 PHE A 47 19.334 4.821 3.552 1.00 3.04 C ATOM 772 CZ PHE A 47 20.516 5.531 3.497 1.00 3.12 C ATOM 0 H PHE A 47 16.211 6.779 3.055 1.00 0.75 H new ATOM 0 HA PHE A 47 17.188 8.657 1.176 1.00 0.80 H new ATOM 0 HB2 PHE A 47 16.597 5.685 0.827 1.00 0.83 H new ATOM 0 HB3 PHE A 47 17.690 6.644 -0.151 1.00 0.83 H new ATOM 0 HD1 PHE A 47 19.731 7.688 1.031 1.00 1.61 H new ATOM 0 HD2 PHE A 47 17.375 4.583 2.745 1.00 2.13 H new ATOM 0 HE1 PHE A 47 21.582 7.122 2.544 1.00 2.39 H new ATOM 0 HE2 PHE A 47 19.220 4.015 4.261 1.00 3.04 H new ATOM 0 HZ PHE A 47 21.329 5.280 4.162 1.00 3.12 H new ATOM 782 N LYS A 48 14.185 7.478 0.666 1.00 0.61 N ATOM 783 CA LYS A 48 13.047 7.452 -0.250 1.00 0.60 C ATOM 784 C LYS A 48 11.743 7.876 0.432 1.00 0.64 C ATOM 785 O LYS A 48 10.658 7.535 -0.043 1.00 0.78 O ATOM 786 CB LYS A 48 12.896 6.042 -0.845 1.00 0.55 C ATOM 787 CG LYS A 48 14.029 5.645 -1.783 1.00 0.76 C ATOM 788 CD LYS A 48 13.890 4.209 -2.275 1.00 0.81 C ATOM 789 CE LYS A 48 14.218 3.194 -1.187 1.00 0.97 C ATOM 790 NZ LYS A 48 15.621 3.329 -0.707 1.00 1.19 N ATOM 0 H LYS A 48 13.999 7.084 1.588 1.00 0.61 H new ATOM 0 HA LYS A 48 13.245 8.173 -1.044 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.840 5.319 -0.031 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.952 5.986 -1.387 1.00 0.55 H new ATOM 0 HG2 LYS A 48 14.045 6.321 -2.638 1.00 0.76 H new ATOM 0 HG3 LYS A 48 14.983 5.761 -1.268 1.00 0.76 H new ATOM 0 HD2 LYS A 48 12.872 4.045 -2.628 1.00 0.81 H new ATOM 0 HD3 LYS A 48 14.552 4.053 -3.127 1.00 0.81 H new ATOM 0 HE2 LYS A 48 13.533 3.326 -0.349 1.00 0.97 H new ATOM 0 HE3 LYS A 48 14.061 2.186 -1.571 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 15.737 2.797 0.179 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 16.271 2.952 -1.425 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.835 4.333 -0.539 1.00 1.19 H new ATOM 804 N ARG A 49 11.843 8.643 1.520 1.00 0.73 N ATOM 805 CA ARG A 49 10.656 9.079 2.266 1.00 0.84 C ATOM 806 C ARG A 49 9.754 9.944 1.396 1.00 0.91 C ATOM 807 O ARG A 49 8.606 9.591 1.123 1.00 1.75 O ATOM 808 CB ARG A 49 11.041 9.865 3.523 1.00 1.03 C ATOM 809 CG ARG A 49 11.797 9.048 4.550 1.00 1.35 C ATOM 810 CD ARG A 49 12.113 9.865 5.792 1.00 1.45 C ATOM 811 NE ARG A 49 10.926 10.119 6.606 1.00 1.92 N ATOM 812 CZ ARG A 49 10.938 10.832 7.731 1.00 2.48 C ATOM 813 NH1 ARG A 49 12.055 11.429 8.133 1.00 2.70 N ATOM 814 NH2 ARG A 49 9.833 10.954 8.450 1.00 3.23 N ATOM 0 H ARG A 49 12.728 8.975 1.904 1.00 0.73 H new ATOM 0 HA ARG A 49 10.119 8.178 2.563 1.00 0.84 H new ATOM 0 HB2 ARG A 49 11.652 10.720 3.232 1.00 1.03 H new ATOM 0 HB3 ARG A 49 10.136 10.261 3.983 1.00 1.03 H new ATOM 0 HG2 ARG A 49 11.206 8.175 4.828 1.00 1.35 H new ATOM 0 HG3 ARG A 49 12.724 8.678 4.111 1.00 1.35 H new ATOM 0 HD2 ARG A 49 12.856 9.338 6.391 1.00 1.45 H new ATOM 0 HD3 ARG A 49 12.558 10.815 5.496 1.00 1.45 H new ATOM 0 HE ARG A 49 10.037 9.728 6.295 1.00 1.92 H new ATOM 0 HH11 ARG A 49 12.907 11.342 7.579 1.00 2.70 H new ATOM 0 HH12 ARG A 49 12.060 11.974 8.995 1.00 2.70 H new ATOM 0 HH21 ARG A 49 8.972 10.502 8.143 1.00 3.23 H new ATOM 0 HH22 ARG A 49 9.843 11.500 9.311 1.00 3.23 H new ATOM 828 N GLY A 50 10.289 11.068 0.944 1.00 1.00 N ATOM 829 CA GLY A 50 9.514 11.985 0.133 1.00 1.07 C ATOM 830 C GLY A 50 9.665 11.703 -1.343 1.00 0.98 C ATOM 831 O GLY A 50 9.520 12.598 -2.176 1.00 1.12 O ATOM 0 H GLY A 50 11.249 11.363 1.125 1.00 1.00 H new ATOM 0 HA2 GLY A 50 8.462 11.913 0.410 1.00 1.07 H new ATOM 0 HA3 GLY A 50 9.829 13.008 0.341 1.00 1.07 H new ATOM 835 N LEU A 51 9.955 10.452 -1.669 1.00 0.81 N ATOM 836 CA LEU A 51 10.168 10.062 -3.051 1.00 0.81 C ATOM 837 C LEU A 51 8.901 9.452 -3.636 1.00 0.71 C ATOM 838 O LEU A 51 8.723 9.427 -4.854 1.00 0.88 O ATOM 839 CB LEU A 51 11.318 9.057 -3.154 1.00 0.82 C ATOM 840 CG LEU A 51 11.902 8.875 -4.557 1.00 1.11 C ATOM 841 CD1 LEU A 51 12.508 10.179 -5.054 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.944 7.766 -4.561 1.00 1.95 C ATOM 0 H LEU A 51 10.048 9.692 -0.995 1.00 0.81 H new ATOM 0 HA LEU A 51 10.426 10.956 -3.619 1.00 0.81 H new ATOM 0 HB2 LEU A 51 12.117 9.374 -2.484 1.00 0.82 H new ATOM 0 HB3 LEU A 51 10.967 8.089 -2.796 1.00 0.82 H new ATOM 0 HG LEU A 51 11.095 8.591 -5.233 1.00 1.11 H new ATOM 0 HD11 LEU A 51 12.919 10.032 -6.053 1.00 1.46 H new ATOM 0 HD12 LEU A 51 11.737 10.949 -5.088 1.00 1.46 H new ATOM 0 HD13 LEU A 51 13.303 10.492 -4.377 1.00 1.46 H new ATOM 0 HD21 LEU A 51 13.349 7.650 -5.567 1.00 1.95 H new ATOM 0 HD22 LEU A 51 13.750 8.021 -3.873 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.481 6.831 -4.247 1.00 1.95 H new ATOM 854 N GLY A 52 8.011 8.967 -2.774 1.00 0.52 N ATOM 855 CA GLY A 52 6.813 8.327 -3.274 1.00 0.43 C ATOM 856 C GLY A 52 6.708 6.877 -2.853 1.00 0.32 C ATOM 857 O GLY A 52 5.617 6.310 -2.830 1.00 0.28 O ATOM 0 H GLY A 52 8.097 9.005 -1.758 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.939 8.870 -2.915 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.801 8.387 -4.362 1.00 0.43 H new ATOM 861 N LEU A 53 7.855 6.276 -2.553 1.00 0.31 N ATOM 862 CA LEU A 53 7.962 4.835 -2.334 1.00 0.27 C ATOM 863 C LEU A 53 6.954 4.327 -1.300 1.00 0.20 C ATOM 864 O LEU A 53 6.334 3.288 -1.510 1.00 0.20 O ATOM 865 CB LEU A 53 9.398 4.487 -1.910 1.00 0.29 C ATOM 866 CG LEU A 53 9.772 2.994 -1.914 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.271 2.294 -0.664 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.225 2.308 -3.155 1.00 0.67 C ATOM 0 H LEU A 53 8.739 6.774 -2.454 1.00 0.31 H new ATOM 0 HA LEU A 53 7.725 4.334 -3.273 1.00 0.27 H new ATOM 0 HB2 LEU A 53 10.086 5.013 -2.572 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.561 4.877 -0.905 1.00 0.29 H new ATOM 0 HG LEU A 53 10.860 2.927 -1.925 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.552 1.241 -0.699 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.715 2.759 0.216 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.186 2.378 -0.610 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.500 1.253 -3.139 1.00 0.67 H new ATOM 0 HD22 LEU A 53 8.139 2.399 -3.172 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.643 2.778 -4.045 1.00 0.67 H new ATOM 880 N ALA A 54 6.790 5.054 -0.200 1.00 0.19 N ATOM 881 CA ALA A 54 5.833 4.670 0.840 1.00 0.17 C ATOM 882 C ALA A 54 4.433 4.467 0.255 1.00 0.15 C ATOM 883 O ALA A 54 3.777 3.451 0.504 1.00 0.15 O ATOM 884 CB ALA A 54 5.803 5.722 1.939 1.00 0.24 C ATOM 0 H ALA A 54 7.305 5.912 -0.003 1.00 0.19 H new ATOM 0 HA ALA A 54 6.157 3.721 1.268 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.088 5.426 2.707 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.795 5.813 2.382 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.505 6.681 1.516 1.00 0.24 H new ATOM 890 N SER A 55 3.983 5.436 -0.523 1.00 0.17 N ATOM 891 CA SER A 55 2.705 5.349 -1.207 1.00 0.21 C ATOM 892 C SER A 55 2.732 4.279 -2.303 1.00 0.21 C ATOM 893 O SER A 55 1.713 3.654 -2.586 1.00 0.25 O ATOM 894 CB SER A 55 2.346 6.711 -1.800 1.00 0.28 C ATOM 895 OG SER A 55 2.386 7.718 -0.803 1.00 1.08 O ATOM 0 H SER A 55 4.492 6.303 -0.698 1.00 0.17 H new ATOM 0 HA SER A 55 1.945 5.059 -0.482 1.00 0.21 H new ATOM 0 HB2 SER A 55 3.041 6.959 -2.602 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.351 6.670 -2.242 1.00 0.28 H new ATOM 0 HG SER A 55 2.155 8.583 -1.202 1.00 1.08 H new ATOM 901 N HIS A 56 3.900 4.064 -2.914 1.00 0.21 N ATOM 902 CA HIS A 56 4.053 3.013 -3.925 1.00 0.23 C ATOM 903 C HIS A 56 3.784 1.649 -3.315 1.00 0.20 C ATOM 904 O HIS A 56 3.266 0.758 -3.981 1.00 0.23 O ATOM 905 CB HIS A 56 5.452 3.015 -4.560 1.00 0.29 C ATOM 906 CG HIS A 56 5.610 3.984 -5.691 1.00 0.45 C ATOM 907 ND1 HIS A 56 6.027 3.604 -6.948 1.00 0.79 N ATOM 908 CD2 HIS A 56 5.420 5.322 -5.750 1.00 0.70 C ATOM 909 CE1 HIS A 56 6.084 4.665 -7.731 1.00 0.99 C ATOM 910 NE2 HIS A 56 5.721 5.718 -7.028 1.00 0.93 N ATOM 0 H HIS A 56 4.748 4.599 -2.729 1.00 0.21 H new ATOM 0 HA HIS A 56 3.325 3.222 -4.709 1.00 0.23 H new ATOM 0 HB2 HIS A 56 6.188 3.248 -3.791 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.676 2.012 -4.922 1.00 0.29 H new ATOM 0 HD2 HIS A 56 5.093 5.959 -4.942 1.00 0.70 H new ATOM 0 HE1 HIS A 56 6.378 4.669 -8.770 1.00 0.99 H new ATOM 0 HE2 HIS A 56 5.672 6.675 -7.378 1.00 0.93 H new ATOM 919 N LEU A 57 4.137 1.497 -2.046 1.00 0.15 N ATOM 920 CA LEU A 57 3.863 0.265 -1.323 1.00 0.13 C ATOM 921 C LEU A 57 2.361 0.054 -1.210 1.00 0.13 C ATOM 922 O LEU A 57 1.860 -1.055 -1.393 1.00 0.15 O ATOM 923 CB LEU A 57 4.496 0.305 0.067 1.00 0.14 C ATOM 924 CG LEU A 57 6.014 0.457 0.080 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.503 0.724 1.488 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.680 -0.789 -0.473 1.00 0.22 C ATOM 0 H LEU A 57 4.614 2.212 -1.497 1.00 0.15 H new ATOM 0 HA LEU A 57 4.299 -0.568 -1.875 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.058 1.132 0.625 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.233 -0.611 0.596 1.00 0.14 H new ATOM 0 HG LEU A 57 6.279 1.304 -0.553 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.588 0.830 1.482 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.050 1.642 1.862 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.223 -0.108 2.134 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.762 -0.661 -0.456 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.406 -1.649 0.138 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.351 -0.953 -1.499 1.00 0.22 H new ATOM 938 N CYS A 58 1.648 1.134 -0.907 1.00 0.16 N ATOM 939 CA CYS A 58 0.190 1.098 -0.843 1.00 0.19 C ATOM 940 C CYS A 58 -0.398 0.762 -2.213 1.00 0.19 C ATOM 941 O CYS A 58 -1.331 -0.037 -2.325 1.00 0.20 O ATOM 942 CB CYS A 58 -0.353 2.439 -0.344 1.00 0.23 C ATOM 943 SG CYS A 58 -2.148 2.491 -0.147 1.00 0.27 S ATOM 0 H CYS A 58 2.056 2.046 -0.702 1.00 0.16 H new ATOM 0 HA CYS A 58 -0.106 0.319 -0.140 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.112 2.672 0.614 1.00 0.23 H new ATOM 0 HB3 CYS A 58 -0.054 3.221 -1.042 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.716 2.331 -1.305 1.00 0.27 H new ATOM 949 N VAL A 59 0.169 1.365 -3.251 1.00 0.19 N ATOM 950 CA VAL A 59 -0.270 1.127 -4.622 1.00 0.22 C ATOM 951 C VAL A 59 -0.046 -0.330 -5.025 1.00 0.20 C ATOM 952 O VAL A 59 -0.850 -0.913 -5.751 1.00 0.22 O ATOM 953 CB VAL A 59 0.465 2.064 -5.607 1.00 0.25 C ATOM 954 CG1 VAL A 59 0.133 1.721 -7.052 1.00 0.29 C ATOM 955 CG2 VAL A 59 0.113 3.513 -5.316 1.00 0.29 C ATOM 0 H VAL A 59 0.940 2.028 -3.168 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.338 1.340 -4.667 1.00 0.22 H new ATOM 0 HB VAL A 59 1.537 1.923 -5.467 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.666 2.399 -7.719 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.435 0.695 -7.261 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -0.940 1.824 -7.213 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.637 4.163 -6.017 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -0.962 3.655 -5.424 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.411 3.762 -4.298 1.00 0.29 H new ATOM 965 N ALA A 60 1.041 -0.916 -4.535 1.00 0.18 N ATOM 966 CA ALA A 60 1.359 -2.309 -4.825 1.00 0.21 C ATOM 967 C ALA A 60 0.252 -3.235 -4.340 1.00 0.17 C ATOM 968 O ALA A 60 -0.121 -4.186 -5.032 1.00 0.17 O ATOM 969 CB ALA A 60 2.691 -2.696 -4.199 1.00 0.28 C ATOM 0 H ALA A 60 1.718 -0.446 -3.934 1.00 0.18 H new ATOM 0 HA ALA A 60 1.440 -2.417 -5.907 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.911 -3.739 -4.427 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.481 -2.062 -4.603 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.637 -2.564 -3.118 1.00 0.28 H new ATOM 975 N ALA A 61 -0.292 -2.951 -3.162 1.00 0.16 N ATOM 976 CA ALA A 61 -1.383 -3.748 -2.641 1.00 0.16 C ATOM 977 C ALA A 61 -2.650 -3.498 -3.450 1.00 0.14 C ATOM 978 O ALA A 61 -3.444 -4.415 -3.677 1.00 0.15 O ATOM 979 CB ALA A 61 -1.604 -3.448 -1.173 1.00 0.20 C ATOM 0 H ALA A 61 0.004 -2.183 -2.560 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.124 -4.803 -2.732 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.427 -4.055 -0.797 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.698 -3.680 -0.614 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -1.846 -2.392 -1.050 1.00 0.20 H new ATOM 985 N PHE A 62 -2.825 -2.251 -3.894 1.00 0.14 N ATOM 986 CA PHE A 62 -3.943 -1.897 -4.764 1.00 0.15 C ATOM 987 C PHE A 62 -3.911 -2.727 -6.037 1.00 0.15 C ATOM 988 O PHE A 62 -4.895 -3.374 -6.384 1.00 0.16 O ATOM 989 CB PHE A 62 -3.919 -0.413 -5.150 1.00 0.17 C ATOM 990 CG PHE A 62 -4.418 0.539 -4.097 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.576 0.261 -3.381 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.719 1.696 -3.802 1.00 0.20 C ATOM 993 CE1 PHE A 62 -6.024 1.124 -2.396 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.165 2.560 -2.823 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.364 2.320 -2.183 1.00 0.24 C ATOM 0 H PHE A 62 -2.207 -1.473 -3.665 1.00 0.14 H new ATOM 0 HA PHE A 62 -4.855 -2.101 -4.203 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -2.896 -0.139 -5.407 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.520 -0.280 -6.049 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.133 -0.639 -3.596 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.814 1.926 -4.344 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -6.884 0.865 -1.797 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.575 3.425 -2.557 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.784 3.062 -1.520 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.768 -2.705 -6.717 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.576 -3.447 -7.961 1.00 0.19 C ATOM 1007 C GLU A 63 -2.938 -4.919 -7.792 1.00 0.19 C ATOM 1008 O GLU A 63 -3.500 -5.539 -8.696 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.119 -3.332 -8.419 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.735 -1.950 -8.925 1.00 0.29 C ATOM 1011 CD GLU A 63 -1.416 -1.604 -10.231 1.00 1.16 C ATOM 1012 OE1 GLU A 63 -1.526 -2.495 -11.101 1.00 1.58 O ATOM 1013 OE2 GLU A 63 -1.825 -0.438 -10.409 1.00 1.98 O ATOM 0 H GLU A 63 -1.949 -2.173 -6.422 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.236 -3.014 -8.712 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.466 -3.597 -7.588 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -0.939 -4.060 -9.210 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -0.997 -1.205 -8.173 1.00 0.29 H new ATOM 0 HG3 GLU A 63 0.346 -1.902 -9.058 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.623 -5.458 -6.622 1.00 0.17 N ATOM 1021 CA HIS A 64 -2.876 -6.864 -6.329 1.00 0.19 C ATOM 1022 C HIS A 64 -4.375 -7.126 -6.221 1.00 0.19 C ATOM 1023 O HIS A 64 -4.931 -7.966 -6.935 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.166 -7.261 -5.025 1.00 0.20 C ATOM 1025 CG HIS A 64 -2.345 -8.701 -4.626 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -1.403 -9.676 -4.870 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -3.357 -9.323 -3.973 1.00 1.13 C ATOM 1028 CE1 HIS A 64 -1.825 -10.828 -4.389 1.00 1.68 C ATOM 1029 NE2 HIS A 64 -3.008 -10.642 -3.838 1.00 1.33 N ATOM 0 H HIS A 64 -2.190 -4.941 -5.857 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.482 -7.470 -7.145 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -1.100 -7.057 -5.131 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.534 -6.626 -4.219 1.00 0.20 H new ATOM 0 HD2 HIS A 64 -4.270 -8.864 -3.623 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -1.292 -11.766 -4.438 1.00 1.68 H new ATOM 0 HE2 HIS A 64 -3.572 -11.362 -3.385 1.00 1.33 H new ATOM 1038 N ALA A 65 -5.029 -6.388 -5.335 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.436 -6.615 -5.049 1.00 0.16 C ATOM 1040 C ALA A 65 -7.321 -6.216 -6.221 1.00 0.15 C ATOM 1041 O ALA A 65 -8.189 -6.986 -6.626 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.848 -5.875 -3.795 1.00 0.20 C ATOM 0 H ALA A 65 -4.607 -5.627 -4.803 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.571 -7.684 -4.886 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -7.904 -6.056 -3.596 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.254 -6.229 -2.952 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.683 -4.806 -3.932 1.00 0.20 H new ATOM 1048 N SER A 66 -7.091 -5.028 -6.774 1.00 0.16 N ATOM 1049 CA SER A 66 -7.903 -4.531 -7.884 1.00 0.20 C ATOM 1050 C SER A 66 -7.966 -5.542 -9.027 1.00 0.24 C ATOM 1051 O SER A 66 -9.035 -5.785 -9.587 1.00 0.31 O ATOM 1052 CB SER A 66 -7.354 -3.200 -8.400 1.00 0.24 C ATOM 1053 OG SER A 66 -5.993 -3.321 -8.777 1.00 1.21 O ATOM 0 H SER A 66 -6.352 -4.392 -6.474 1.00 0.16 H new ATOM 0 HA SER A 66 -8.914 -4.379 -7.506 1.00 0.20 H new ATOM 0 HB2 SER A 66 -7.943 -2.867 -9.255 1.00 0.24 H new ATOM 0 HB3 SER A 66 -7.454 -2.438 -7.627 1.00 0.24 H new ATOM 0 HG SER A 66 -5.421 -3.024 -8.039 1.00 1.21 H new ATOM 1059 N SER A 67 -6.821 -6.142 -9.355 1.00 0.25 N ATOM 1060 CA SER A 67 -6.748 -7.114 -10.438 1.00 0.33 C ATOM 1061 C SER A 67 -7.625 -8.334 -10.144 1.00 0.34 C ATOM 1062 O SER A 67 -8.255 -8.886 -11.045 1.00 0.44 O ATOM 1063 CB SER A 67 -5.295 -7.549 -10.666 1.00 0.39 C ATOM 1064 OG SER A 67 -5.175 -8.390 -11.803 1.00 1.20 O ATOM 0 H SER A 67 -5.933 -5.969 -8.884 1.00 0.25 H new ATOM 0 HA SER A 67 -7.122 -6.638 -11.344 1.00 0.33 H new ATOM 0 HB2 SER A 67 -4.667 -6.668 -10.796 1.00 0.39 H new ATOM 0 HB3 SER A 67 -4.929 -8.074 -9.784 1.00 0.39 H new ATOM 0 HG SER A 67 -4.237 -8.648 -11.921 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.681 -8.739 -8.879 1.00 0.29 N ATOM 1071 CA HIS A 68 -8.466 -9.910 -8.488 1.00 0.35 C ATOM 1072 C HIS A 68 -9.865 -9.495 -8.024 1.00 0.37 C ATOM 1073 O HIS A 68 -10.614 -10.308 -7.483 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.742 -10.677 -7.373 1.00 0.37 C ATOM 1075 CG HIS A 68 -8.199 -12.097 -7.203 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -7.647 -13.144 -7.898 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -9.148 -12.641 -6.403 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -8.231 -14.271 -7.538 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -9.146 -13.992 -6.630 1.00 0.82 N ATOM 0 H HIS A 68 -7.196 -8.278 -8.109 1.00 0.29 H new ATOM 0 HA HIS A 68 -8.574 -10.561 -9.356 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.672 -10.674 -7.582 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.884 -10.147 -6.431 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -9.787 -12.108 -5.714 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -7.999 -15.254 -7.921 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -9.753 -14.671 -6.172 1.00 0.82 H new ATOM 1088 N SER A 69 -10.205 -8.225 -8.238 1.00 0.33 N ATOM 1089 CA SER A 69 -11.499 -7.677 -7.820 1.00 0.37 C ATOM 1090 C SER A 69 -11.664 -7.740 -6.301 1.00 0.34 C ATOM 1091 O SER A 69 -12.780 -7.791 -5.789 1.00 0.54 O ATOM 1092 CB SER A 69 -12.655 -8.424 -8.495 1.00 0.47 C ATOM 1093 OG SER A 69 -12.663 -8.215 -9.897 1.00 1.12 O ATOM 0 H SER A 69 -9.598 -7.549 -8.702 1.00 0.33 H new ATOM 0 HA SER A 69 -11.523 -6.632 -8.130 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.571 -9.490 -8.286 1.00 0.47 H new ATOM 0 HB3 SER A 69 -13.602 -8.090 -8.071 1.00 0.47 H new ATOM 0 HG SER A 69 -13.411 -8.706 -10.297 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.555 -7.726 -5.585 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.584 -7.759 -4.133 1.00 0.21 C ATOM 1101 C ILE A 70 -10.730 -6.342 -3.580 1.00 0.19 C ATOM 1102 O ILE A 70 -10.263 -5.385 -4.195 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.296 -8.410 -3.573 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -9.119 -9.812 -4.155 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.336 -8.472 -2.055 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -7.840 -10.492 -3.718 1.00 0.36 C ATOM 0 H ILE A 70 -9.618 -7.692 -5.987 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.440 -8.358 -3.821 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.446 -7.794 -3.866 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -9.968 -10.429 -3.860 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -9.134 -9.749 -5.243 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.420 -8.933 -1.685 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.422 -7.463 -1.652 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.194 -9.064 -1.738 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.782 -11.482 -4.169 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -6.984 -9.897 -4.037 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -7.831 -10.587 -2.632 1.00 0.36 H new ATOM 1118 N SER A 71 -11.370 -6.211 -2.425 1.00 0.19 N ATOM 1119 CA SER A 71 -11.533 -4.915 -1.791 1.00 0.19 C ATOM 1120 C SER A 71 -10.367 -4.678 -0.838 1.00 0.17 C ATOM 1121 O SER A 71 -9.630 -5.607 -0.524 1.00 0.19 O ATOM 1122 CB SER A 71 -12.862 -4.854 -1.032 1.00 0.23 C ATOM 1123 OG SER A 71 -13.956 -5.185 -1.881 1.00 1.01 O ATOM 0 H SER A 71 -11.784 -6.988 -1.910 1.00 0.19 H new ATOM 0 HA SER A 71 -11.544 -4.137 -2.554 1.00 0.19 H new ATOM 0 HB2 SER A 71 -12.833 -5.542 -0.187 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.005 -3.854 -0.624 1.00 0.23 H new ATOM 0 HG SER A 71 -14.791 -5.140 -1.371 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.196 -3.445 -0.391 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.034 -3.067 0.402 1.00 0.14 C ATOM 1131 C ILE A 72 -9.424 -2.079 1.513 1.00 0.14 C ATOM 1132 O ILE A 72 -10.386 -1.323 1.380 1.00 0.16 O ATOM 1133 CB ILE A 72 -7.955 -2.425 -0.517 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.337 -3.475 -1.440 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -6.871 -1.703 0.273 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.122 -2.977 -2.196 1.00 0.20 C ATOM 0 H ILE A 72 -10.851 -2.683 -0.564 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.630 -3.966 0.868 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.462 -1.674 -1.123 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.055 -4.346 -0.848 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.090 -3.806 -2.156 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.144 -1.273 -0.416 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.322 -0.908 0.867 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.371 -2.410 0.934 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.736 -3.775 -2.831 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.403 -2.125 -2.815 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.352 -2.673 -1.487 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.671 -2.110 2.601 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.824 -1.185 3.715 1.00 0.13 C ATOM 1150 C ILE A 73 -7.444 -0.671 4.110 1.00 0.13 C ATOM 1151 O ILE A 73 -6.657 -1.398 4.696 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.472 -1.871 4.939 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -10.921 -2.270 4.644 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.395 -0.974 6.170 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.803 -1.119 4.230 1.00 0.24 C ATOM 0 H ILE A 73 -7.923 -2.790 2.738 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.474 -0.369 3.400 1.00 0.13 H new ATOM 0 HB ILE A 73 -8.910 -2.781 5.148 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -10.926 -3.021 3.854 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.346 -2.739 5.532 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -9.858 -1.479 7.018 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.351 -0.761 6.400 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.921 -0.040 5.973 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.812 -1.484 4.039 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.831 -0.377 5.028 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.405 -0.663 3.324 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.111 0.569 3.762 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.781 1.110 3.985 1.00 0.18 C ATOM 1169 C PRO A 74 -5.596 1.757 5.362 1.00 0.17 C ATOM 1170 O PRO A 74 -6.001 2.901 5.580 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.638 2.156 2.872 1.00 0.23 C ATOM 1172 CG PRO A 74 -7.000 2.303 2.245 1.00 0.31 C ATOM 1173 CD PRO A 74 -7.972 1.543 3.107 1.00 0.23 C ATOM 0 HA PRO A 74 -5.027 0.323 3.964 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -5.292 3.107 3.276 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -4.903 1.838 2.133 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -7.283 3.354 2.181 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -7.000 1.911 1.228 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.472 2.192 3.826 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.752 1.063 2.515 1.00 0.23 H new ATOM 1181 N SER A 75 -4.986 1.008 6.281 1.00 0.16 N ATOM 1182 CA SER A 75 -4.556 1.541 7.573 1.00 0.17 C ATOM 1183 C SER A 75 -3.288 2.374 7.369 1.00 0.16 C ATOM 1184 O SER A 75 -2.880 3.152 8.228 1.00 0.20 O ATOM 1185 CB SER A 75 -4.303 0.394 8.563 1.00 0.20 C ATOM 1186 OG SER A 75 -4.068 0.881 9.877 1.00 1.19 O ATOM 0 H SER A 75 -4.777 0.018 6.151 1.00 0.16 H new ATOM 0 HA SER A 75 -5.338 2.176 7.990 1.00 0.17 H new ATOM 0 HB2 SER A 75 -5.162 -0.277 8.571 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.445 -0.191 8.232 1.00 0.20 H new ATOM 0 HG SER A 75 -3.912 0.126 10.483 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.683 2.187 6.200 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.618 3.042 5.666 1.00 0.17 C ATOM 1194 C CYS A 76 -2.133 4.455 5.369 1.00 0.16 C ATOM 1195 O CYS A 76 -1.523 5.183 4.594 1.00 0.20 O ATOM 1196 CB CYS A 76 -0.965 2.430 4.423 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.357 0.751 4.676 1.00 0.90 S ATOM 0 H CYS A 76 -2.924 1.416 5.577 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.852 3.115 6.438 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -1.689 2.426 3.608 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.136 3.064 4.110 1.00 0.25 H new ATOM 0 HG CYS A 76 0.939 0.769 4.773 1.00 0.90 H new ATOM 1203 N SER A 77 -3.313 4.773 5.904 1.00 0.20 N ATOM 1204 CA SER A 77 -4.084 5.976 5.584 1.00 0.25 C ATOM 1205 C SER A 77 -3.295 7.299 5.602 1.00 0.24 C ATOM 1206 O SER A 77 -3.859 8.340 5.273 1.00 0.26 O ATOM 1207 CB SER A 77 -5.274 6.068 6.540 1.00 0.34 C ATOM 1208 OG SER A 77 -4.900 5.688 7.857 1.00 0.71 O ATOM 0 H SER A 77 -3.774 4.181 6.595 1.00 0.20 H new ATOM 0 HA SER A 77 -4.400 5.858 4.547 1.00 0.25 H new ATOM 0 HB2 SER A 77 -5.661 7.087 6.548 1.00 0.34 H new ATOM 0 HB3 SER A 77 -6.079 5.424 6.187 1.00 0.34 H new ATOM 0 HG SER A 77 -5.677 5.756 8.450 1.00 0.71 H new ATOM 1214 N TYR A 78 -2.020 7.284 5.984 1.00 0.23 N ATOM 1215 CA TYR A 78 -1.137 8.396 5.642 1.00 0.24 C ATOM 1216 C TYR A 78 -1.148 8.559 4.120 1.00 0.20 C ATOM 1217 O TYR A 78 -1.345 9.656 3.595 1.00 0.21 O ATOM 1218 CB TYR A 78 0.297 8.133 6.145 1.00 0.27 C ATOM 1219 CG TYR A 78 1.388 8.457 5.131 1.00 0.24 C ATOM 1220 CD1 TYR A 78 1.817 9.770 4.944 1.00 0.24 C ATOM 1221 CD2 TYR A 78 2.003 7.460 4.382 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.817 10.081 4.040 1.00 0.25 C ATOM 1223 CE2 TYR A 78 3.005 7.763 3.475 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.362 9.027 3.243 1.00 0.25 C ATOM 1225 OH TYR A 78 4.403 9.372 2.401 1.00 0.30 O ATOM 0 H TYR A 78 -1.583 6.533 6.518 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.489 9.309 6.122 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.467 8.723 7.045 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.383 7.085 6.430 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.359 10.562 5.518 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.694 6.433 4.509 1.00 0.26 H new ATOM 0 HE1 TYR A 78 3.177 11.094 3.939 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.505 6.964 2.948 1.00 0.27 H new ATOM 0 HH TYR A 78 5.079 8.662 2.409 1.00 0.30 H new ATOM 1235 N VAL A 79 -0.963 7.437 3.428 1.00 0.18 N ATOM 1236 CA VAL A 79 -1.048 7.383 1.980 1.00 0.17 C ATOM 1237 C VAL A 79 -2.463 7.716 1.541 1.00 0.18 C ATOM 1238 O VAL A 79 -2.675 8.518 0.646 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.684 5.978 1.443 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.781 5.930 -0.070 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.704 5.557 1.905 1.00 0.18 C ATOM 0 H VAL A 79 -0.749 6.539 3.862 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.339 8.107 1.578 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.406 5.271 1.852 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.520 4.931 -0.420 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.800 6.167 -0.377 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.093 6.657 -0.502 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.933 4.566 1.513 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.441 6.271 1.539 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.733 5.532 2.994 1.00 0.18 H new ATOM 1251 N SER A 80 -3.428 7.106 2.205 1.00 0.20 N ATOM 1252 CA SER A 80 -4.833 7.279 1.849 1.00 0.25 C ATOM 1253 C SER A 80 -5.246 8.748 1.890 1.00 0.23 C ATOM 1254 O SER A 80 -5.963 9.226 1.019 1.00 0.23 O ATOM 1255 CB SER A 80 -5.710 6.473 2.799 1.00 0.36 C ATOM 1256 OG SER A 80 -5.225 5.149 2.914 1.00 0.99 O ATOM 0 H SER A 80 -3.268 6.483 2.997 1.00 0.20 H new ATOM 0 HA SER A 80 -4.966 6.920 0.828 1.00 0.25 H new ATOM 0 HB2 SER A 80 -5.726 6.948 3.780 1.00 0.36 H new ATOM 0 HB3 SER A 80 -6.737 6.461 2.434 1.00 0.36 H new ATOM 0 HG SER A 80 -5.248 4.715 2.036 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.766 9.454 2.893 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.164 10.834 3.125 1.00 0.25 C ATOM 1264 C ASP A 81 -4.648 11.764 2.028 1.00 0.25 C ATOM 1265 O ASP A 81 -5.392 12.590 1.507 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.650 11.288 4.494 1.00 0.31 C ATOM 1267 CG ASP A 81 -4.907 12.753 4.778 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -6.030 13.091 5.202 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -4.005 13.580 4.541 1.00 0.47 O ATOM 0 H ASP A 81 -4.093 9.093 3.569 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.253 10.884 3.106 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -5.124 10.687 5.270 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.579 11.097 4.553 1.00 0.31 H new ATOM 1274 N THR A 82 -3.365 11.657 1.705 1.00 0.23 N ATOM 1275 CA THR A 82 -2.775 12.496 0.664 1.00 0.25 C ATOM 1276 C THR A 82 -2.905 11.873 -0.736 1.00 0.22 C ATOM 1277 O THR A 82 -3.419 12.496 -1.672 1.00 0.23 O ATOM 1278 CB THR A 82 -1.288 12.820 0.959 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.703 13.521 -0.146 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.487 11.558 1.243 1.00 0.26 C ATOM 0 H THR A 82 -2.716 11.004 2.144 1.00 0.23 H new ATOM 0 HA THR A 82 -3.344 13.426 0.673 1.00 0.25 H new ATOM 0 HB THR A 82 -1.260 13.450 1.848 1.00 0.28 H new ATOM 0 HG1 THR A 82 0.235 13.721 0.053 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.551 11.823 1.445 1.00 0.26 H new ATOM 0 HG22 THR A 82 -0.907 11.048 2.110 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.530 10.897 0.377 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.445 10.637 -0.865 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.263 9.997 -2.163 1.00 0.19 C ATOM 1290 C PHE A 83 -3.584 9.607 -2.818 1.00 0.19 C ATOM 1291 O PHE A 83 -3.719 9.697 -4.035 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.395 8.756 -1.997 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.569 8.417 -3.201 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.405 9.291 -3.658 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.764 7.226 -3.878 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.168 8.983 -4.765 1.00 1.50 C ATOM 1297 CE2 PHE A 83 -0.005 6.913 -4.990 1.00 2.25 C ATOM 1298 CZ PHE A 83 0.962 7.793 -5.433 1.00 2.24 C ATOM 0 H PHE A 83 -2.187 10.048 -0.073 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.779 10.722 -2.817 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.731 8.902 -1.145 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -2.036 7.907 -1.760 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.569 10.225 -3.141 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -1.518 6.533 -3.534 1.00 1.54 H new ATOM 0 HE1 PHE A 83 1.925 9.672 -5.109 1.00 1.50 H new ATOM 0 HE2 PHE A 83 -0.168 5.981 -5.511 1.00 2.25 H new ATOM 0 HZ PHE A 83 1.557 7.551 -6.301 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.551 9.165 -2.030 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.819 8.707 -2.600 1.00 0.19 C ATOM 1310 C LEU A 84 -6.599 9.833 -3.277 1.00 0.22 C ATOM 1311 O LEU A 84 -7.142 9.626 -4.353 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.675 7.992 -1.561 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.352 6.509 -1.399 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -7.124 5.923 -0.235 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.679 5.764 -2.685 1.00 0.34 C ATOM 0 H LEU A 84 -4.491 9.112 -1.013 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.564 7.987 -3.378 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.548 8.487 -0.598 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.724 8.096 -1.837 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.287 6.401 -1.191 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.882 4.865 -0.134 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.853 6.447 0.682 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -8.193 6.035 -0.414 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -6.446 4.706 -2.562 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.739 5.878 -2.912 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -6.087 6.173 -3.503 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.688 11.034 -2.678 1.00 0.22 N ATOM 1328 CA PRO A 85 -7.242 12.202 -3.372 1.00 0.26 C ATOM 1329 C PRO A 85 -6.444 12.528 -4.632 1.00 0.28 C ATOM 1330 O PRO A 85 -6.985 13.019 -5.627 1.00 0.33 O ATOM 1331 CB PRO A 85 -7.107 13.334 -2.355 1.00 0.28 C ATOM 1332 CG PRO A 85 -7.001 12.663 -1.036 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.321 11.347 -1.287 1.00 0.22 C ATOM 0 HA PRO A 85 -8.269 12.037 -3.698 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -6.226 13.943 -2.559 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.970 13.999 -2.390 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.427 13.270 -0.336 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.987 12.514 -0.595 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -5.241 11.423 -1.164 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.667 10.578 -0.597 1.00 0.22 H new ATOM 1341 N ARG A 86 -5.150 12.232 -4.569 1.00 0.27 N ATOM 1342 CA ARG A 86 -4.229 12.475 -5.670 1.00 0.31 C ATOM 1343 C ARG A 86 -4.524 11.532 -6.845 1.00 0.35 C ATOM 1344 O ARG A 86 -4.330 11.894 -8.006 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.800 12.301 -5.152 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.701 12.632 -6.143 1.00 0.75 C ATOM 1347 CD ARG A 86 -0.346 12.561 -5.457 1.00 0.72 C ATOM 1348 NE ARG A 86 0.766 12.828 -6.362 1.00 1.43 N ATOM 1349 CZ ARG A 86 2.044 12.804 -5.986 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.361 12.560 -4.717 1.00 1.44 N ATOM 1351 NH2 ARG A 86 3.000 13.040 -6.878 1.00 2.56 N ATOM 0 H ARG A 86 -4.710 11.815 -3.749 1.00 0.27 H new ATOM 0 HA ARG A 86 -4.353 13.491 -6.044 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.672 12.930 -4.271 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.673 11.268 -4.827 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -1.732 11.934 -6.980 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.858 13.629 -6.554 1.00 0.75 H new ATOM 0 HD2 ARG A 86 -0.321 13.280 -4.638 1.00 0.72 H new ATOM 0 HD3 ARG A 86 -0.219 11.572 -5.017 1.00 0.72 H new ATOM 0 HE ARG A 86 0.554 13.045 -7.336 1.00 1.43 H new ATOM 0 HH11 ARG A 86 1.625 12.391 -4.031 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.340 12.542 -4.430 1.00 1.44 H new ATOM 0 HH21 ARG A 86 2.755 13.239 -7.848 1.00 2.56 H new ATOM 0 HH22 ARG A 86 3.979 13.022 -6.593 1.00 2.56 H new ATOM 1365 N ASN A 87 -5.009 10.330 -6.541 1.00 0.30 N ATOM 1366 CA ASN A 87 -5.469 9.400 -7.576 1.00 0.37 C ATOM 1367 C ASN A 87 -6.520 8.439 -7.006 1.00 0.34 C ATOM 1368 O ASN A 87 -6.210 7.345 -6.534 1.00 0.35 O ATOM 1369 CB ASN A 87 -4.306 8.633 -8.251 1.00 0.50 C ATOM 1370 CG ASN A 87 -3.545 7.663 -7.352 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -3.120 6.598 -7.802 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -3.336 8.019 -6.099 1.00 1.22 N ATOM 0 H ASN A 87 -5.095 9.975 -5.588 1.00 0.30 H new ATOM 0 HA ASN A 87 -5.934 9.996 -8.361 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -4.705 8.077 -9.099 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -3.599 9.360 -8.651 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -2.810 7.406 -5.476 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -3.700 8.907 -5.754 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.796 8.857 -7.037 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.904 8.116 -6.435 1.00 0.42 C ATOM 1381 C PRO A 88 -9.416 7.002 -7.338 1.00 0.49 C ATOM 1382 O PRO A 88 -10.623 6.822 -7.504 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.993 9.186 -6.238 1.00 0.53 C ATOM 1384 CG PRO A 88 -9.468 10.452 -6.840 1.00 0.51 C ATOM 1385 CD PRO A 88 -8.266 10.090 -7.663 1.00 0.46 C ATOM 0 HA PRO A 88 -8.603 7.621 -5.512 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.923 8.885 -6.721 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -10.213 9.323 -5.179 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -10.229 10.927 -7.459 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -9.200 11.166 -6.061 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -8.526 9.937 -8.710 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -7.507 10.872 -7.634 1.00 0.46 H new ATOM 1393 N SER A 89 -8.496 6.219 -7.878 1.00 0.30 N ATOM 1394 CA SER A 89 -8.852 5.172 -8.819 1.00 0.36 C ATOM 1395 C SER A 89 -9.208 3.897 -8.068 1.00 0.34 C ATOM 1396 O SER A 89 -9.699 2.927 -8.646 1.00 0.42 O ATOM 1397 CB SER A 89 -7.680 4.910 -9.762 1.00 0.44 C ATOM 1398 OG SER A 89 -7.123 6.128 -10.234 1.00 1.37 O ATOM 0 H SER A 89 -7.498 6.289 -7.680 1.00 0.30 H new ATOM 0 HA SER A 89 -9.717 5.492 -9.401 1.00 0.36 H new ATOM 0 HB2 SER A 89 -6.914 4.333 -9.244 1.00 0.44 H new ATOM 0 HB3 SER A 89 -8.016 4.308 -10.607 1.00 0.44 H new ATOM 0 HG SER A 89 -6.373 5.934 -10.835 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.983 3.927 -6.764 1.00 0.30 N ATOM 1405 CA TRP A 90 -9.074 2.736 -5.938 1.00 0.28 C ATOM 1406 C TRP A 90 -10.345 2.740 -5.097 1.00 0.32 C ATOM 1407 O TRP A 90 -10.514 1.906 -4.211 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.844 2.658 -5.039 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.584 3.044 -5.754 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.862 4.189 -5.579 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.917 2.301 -6.781 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.781 4.200 -6.420 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.790 3.050 -7.170 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -6.159 1.071 -7.403 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.910 2.609 -8.152 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.284 0.636 -8.379 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -4.171 1.404 -8.745 1.00 0.38 C ATOM 0 H TRP A 90 -8.734 4.773 -6.252 1.00 0.30 H new ATOM 0 HA TRP A 90 -9.114 1.861 -6.587 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.985 3.313 -4.179 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.743 1.643 -4.654 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -6.108 4.973 -4.878 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -4.083 4.942 -6.479 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -7.014 0.473 -7.125 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -3.050 3.197 -8.437 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.461 -0.311 -8.868 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.505 1.037 -9.512 1.00 0.38 H new ATOM 1428 N LYS A 91 -11.245 3.671 -5.400 1.00 0.37 N ATOM 1429 CA LYS A 91 -12.526 3.770 -4.698 1.00 0.43 C ATOM 1430 C LYS A 91 -13.298 2.441 -4.708 1.00 0.41 C ATOM 1431 O LYS A 91 -13.823 2.039 -3.673 1.00 0.42 O ATOM 1432 CB LYS A 91 -13.401 4.874 -5.298 1.00 0.55 C ATOM 1433 CG LYS A 91 -12.938 6.286 -4.975 1.00 1.20 C ATOM 1434 CD LYS A 91 -13.902 7.310 -5.547 1.00 1.38 C ATOM 1435 CE LYS A 91 -13.545 8.730 -5.139 1.00 1.83 C ATOM 1436 NZ LYS A 91 -14.487 9.713 -5.731 1.00 2.61 N ATOM 0 H LYS A 91 -11.112 4.371 -6.130 1.00 0.37 H new ATOM 0 HA LYS A 91 -12.292 4.019 -3.663 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -13.428 4.752 -6.381 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -14.422 4.748 -4.938 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -12.864 6.412 -3.895 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -11.941 6.450 -5.384 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -13.903 7.236 -6.635 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -14.913 7.081 -5.211 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -13.563 8.814 -4.052 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -12.528 8.958 -5.459 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -14.218 10.673 -5.435 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -14.451 9.648 -6.768 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -15.453 9.508 -5.405 1.00 2.61 H new ATOM 1450 N PRO A 92 -13.391 1.738 -5.866 1.00 0.41 N ATOM 1451 CA PRO A 92 -14.066 0.433 -5.950 1.00 0.42 C ATOM 1452 C PRO A 92 -13.502 -0.618 -4.993 1.00 0.38 C ATOM 1453 O PRO A 92 -14.096 -1.682 -4.815 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.839 -0.015 -7.401 1.00 0.46 C ATOM 1455 CG PRO A 92 -12.757 0.864 -7.921 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.908 2.163 -7.193 1.00 0.43 C ATOM 0 HA PRO A 92 -15.114 0.532 -5.668 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -13.549 -1.065 -7.447 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.749 0.091 -7.992 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -11.775 0.426 -7.741 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -12.850 1.005 -8.998 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.963 2.702 -7.126 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -13.618 2.825 -7.689 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.361 -0.328 -4.385 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.720 -1.279 -3.494 1.00 0.26 C ATOM 1466 C LEU A 93 -11.880 -0.858 -2.043 1.00 0.22 C ATOM 1467 O LEU A 93 -12.101 -1.687 -1.164 1.00 0.21 O ATOM 1468 CB LEU A 93 -10.227 -1.368 -3.811 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.881 -1.474 -5.291 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -8.378 -1.372 -5.492 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -10.402 -2.778 -5.870 1.00 0.26 C ATOM 0 H LEU A 93 -11.863 0.556 -4.493 1.00 0.30 H new ATOM 0 HA LEU A 93 -12.197 -2.248 -3.643 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.732 -0.487 -3.401 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.814 -2.235 -3.295 1.00 0.25 H new ATOM 0 HG LEU A 93 -10.361 -0.647 -5.815 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -8.147 -1.449 -6.554 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -8.024 -0.413 -5.113 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.883 -2.180 -4.953 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -10.145 -2.835 -6.928 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.950 -3.617 -5.341 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.485 -2.819 -5.757 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.788 0.441 -1.805 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.570 0.954 -0.462 1.00 0.22 C ATOM 1485 C ILE A 94 -12.579 2.024 -0.076 1.00 0.27 C ATOM 1486 O ILE A 94 -13.689 2.080 -0.600 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.164 1.571 -0.366 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.056 2.770 -1.301 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.106 0.544 -0.713 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -8.671 3.344 -1.366 1.00 0.75 C ATOM 0 H ILE A 94 -11.861 1.160 -2.525 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.683 0.111 0.219 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.000 1.902 0.659 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -10.366 2.471 -2.302 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -10.748 3.544 -0.971 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.119 1.000 -0.639 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.171 -0.294 -0.019 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -9.266 0.187 -1.730 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -8.661 4.194 -2.048 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -8.366 3.672 -0.372 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -7.978 2.583 -1.725 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.166 2.858 0.876 1.00 0.31 N ATOM 1503 CA HIS A 95 -12.923 4.032 1.275 1.00 0.43 C ATOM 1504 C HIS A 95 -12.980 5.031 0.110 1.00 0.39 C ATOM 1505 O HIS A 95 -13.916 5.014 -0.687 1.00 0.55 O ATOM 1506 CB HIS A 95 -12.265 4.695 2.502 1.00 0.64 C ATOM 1507 CG HIS A 95 -12.300 3.894 3.773 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -12.072 4.460 5.013 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -12.479 2.568 3.998 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -12.111 3.521 5.938 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -12.355 2.365 5.351 1.00 1.70 N ATOM 0 H HIS A 95 -11.294 2.734 1.391 1.00 0.31 H new ATOM 0 HA HIS A 95 -13.936 3.729 1.539 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -11.225 4.913 2.260 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -12.757 5.651 2.683 1.00 0.64 H new ATOM 0 HD1 HIS A 95 -11.900 5.450 5.186 1.00 2.01 H new ATOM 0 HD2 HIS A 95 -12.681 1.813 3.253 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -11.967 3.673 6.998 1.00 2.24 H new ATOM 1520 N SER A 96 -11.942 5.865 0.007 1.00 0.41 N ATOM 1521 CA SER A 96 -11.831 6.892 -1.033 1.00 0.49 C ATOM 1522 C SER A 96 -10.654 7.798 -0.701 1.00 0.67 C ATOM 1523 O SER A 96 -10.094 8.468 -1.566 1.00 1.53 O ATOM 1524 CB SER A 96 -13.105 7.743 -1.119 1.00 0.51 C ATOM 1525 OG SER A 96 -12.960 8.782 -2.073 1.00 1.43 O ATOM 0 H SER A 96 -11.149 5.847 0.648 1.00 0.41 H new ATOM 0 HA SER A 96 -11.685 6.397 -1.993 1.00 0.49 H new ATOM 0 HB2 SER A 96 -13.951 7.111 -1.390 1.00 0.51 H new ATOM 0 HB3 SER A 96 -13.327 8.171 -0.141 1.00 0.51 H new ATOM 0 HG SER A 96 -13.779 9.319 -2.099 1.00 1.43 H new ATOM 1531 N GLU A 97 -10.313 7.798 0.577 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.298 8.652 1.144 1.00 0.52 C ATOM 1533 C GLU A 97 -9.104 8.169 2.578 1.00 0.61 C ATOM 1534 O GLU A 97 -9.238 6.972 2.839 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.777 10.109 1.106 1.00 0.47 C ATOM 1536 CG GLU A 97 -8.716 11.133 1.473 1.00 1.09 C ATOM 1537 CD GLU A 97 -9.325 12.372 2.078 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -9.843 12.272 3.211 1.00 1.79 O ATOM 1539 OE2 GLU A 97 -9.311 13.436 1.426 1.00 1.89 O ATOM 0 H GLU A 97 -10.751 7.184 1.263 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.359 8.609 0.592 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -10.146 10.330 0.105 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.620 10.218 1.788 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -8.012 10.691 2.178 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -8.148 11.404 0.583 1.00 1.09 H new ATOM 1546 N VAL A 98 -8.828 9.066 3.505 1.00 0.58 N ATOM 1547 CA VAL A 98 -8.790 8.688 4.901 1.00 0.73 C ATOM 1548 C VAL A 98 -10.218 8.598 5.461 1.00 1.10 C ATOM 1549 O VAL A 98 -10.557 7.617 6.123 1.00 1.50 O ATOM 1550 CB VAL A 98 -7.902 9.643 5.739 1.00 0.62 C ATOM 1551 CG1 VAL A 98 -8.384 11.080 5.655 1.00 0.72 C ATOM 1552 CG2 VAL A 98 -7.826 9.179 7.185 1.00 0.79 C ATOM 0 H VAL A 98 -8.629 10.049 3.319 1.00 0.58 H new ATOM 0 HA VAL A 98 -8.329 7.703 4.973 1.00 0.73 H new ATOM 0 HB VAL A 98 -6.898 9.613 5.315 1.00 0.62 H new ATOM 0 HG11 VAL A 98 -7.735 11.717 6.256 1.00 0.72 H new ATOM 0 HG12 VAL A 98 -8.359 11.412 4.617 1.00 0.72 H new ATOM 0 HG13 VAL A 98 -9.405 11.144 6.032 1.00 0.72 H new ATOM 0 HG21 VAL A 98 -7.198 9.864 7.754 1.00 0.79 H new ATOM 0 HG22 VAL A 98 -8.827 9.163 7.615 1.00 0.79 H new ATOM 0 HG23 VAL A 98 -7.398 8.177 7.224 1.00 0.79 H new ATOM 1562 N PHE A 99 -11.074 9.584 5.142 1.00 1.35 N ATOM 1563 CA PHE A 99 -12.468 9.569 5.607 1.00 1.84 C ATOM 1564 C PHE A 99 -13.264 10.748 5.049 1.00 1.68 C ATOM 1565 O PHE A 99 -14.353 11.047 5.537 1.00 2.21 O ATOM 1566 CB PHE A 99 -12.544 9.580 7.145 1.00 2.46 C ATOM 1567 CG PHE A 99 -12.012 10.831 7.797 1.00 3.26 C ATOM 1568 CD1 PHE A 99 -12.841 11.917 8.020 1.00 3.78 C ATOM 1569 CD2 PHE A 99 -10.680 10.925 8.177 1.00 3.94 C ATOM 1570 CE1 PHE A 99 -12.356 13.068 8.611 1.00 4.85 C ATOM 1571 CE2 PHE A 99 -10.191 12.074 8.765 1.00 5.00 C ATOM 1572 CZ PHE A 99 -11.031 13.132 9.012 1.00 5.42 C ATOM 0 H PHE A 99 -10.827 10.392 4.570 1.00 1.35 H new ATOM 0 HA PHE A 99 -12.911 8.645 5.236 1.00 1.84 H new ATOM 0 HB2 PHE A 99 -13.584 9.446 7.444 1.00 2.46 H new ATOM 0 HB3 PHE A 99 -11.989 8.724 7.528 1.00 2.46 H new ATOM 0 HD1 PHE A 99 -13.880 11.864 7.728 1.00 3.78 H new ATOM 0 HD2 PHE A 99 -10.018 10.088 8.010 1.00 3.94 H new ATOM 0 HE1 PHE A 99 -13.008 13.916 8.760 1.00 4.85 H new ATOM 0 HE2 PHE A 99 -9.146 12.141 9.031 1.00 5.00 H new ATOM 0 HZ PHE A 99 -10.660 14.011 9.517 1.00 5.42 H new ATOM 1582 N LYS A 100 -12.736 11.390 4.010 1.00 1.18 N ATOM 1583 CA LYS A 100 -13.348 12.606 3.453 1.00 1.33 C ATOM 1584 C LYS A 100 -14.799 12.385 3.053 1.00 1.40 C ATOM 1585 O LYS A 100 -15.624 13.292 3.129 1.00 2.17 O ATOM 1586 CB LYS A 100 -12.600 13.069 2.205 1.00 1.40 C ATOM 1587 CG LYS A 100 -12.733 12.105 1.030 1.00 1.30 C ATOM 1588 CD LYS A 100 -12.762 12.848 -0.289 1.00 1.47 C ATOM 1589 CE LYS A 100 -12.975 11.924 -1.474 1.00 2.02 C ATOM 1590 NZ LYS A 100 -13.013 12.685 -2.750 1.00 2.63 N ATOM 0 H LYS A 100 -11.885 11.093 3.532 1.00 1.18 H new ATOM 0 HA LYS A 100 -13.294 13.357 4.241 1.00 1.33 H new ATOM 0 HB2 LYS A 100 -12.975 14.048 1.907 1.00 1.40 H new ATOM 0 HB3 LYS A 100 -11.544 13.192 2.447 1.00 1.40 H new ATOM 0 HG2 LYS A 100 -11.899 11.403 1.036 1.00 1.30 H new ATOM 0 HG3 LYS A 100 -13.645 11.518 1.140 1.00 1.30 H new ATOM 0 HD2 LYS A 100 -13.558 13.592 -0.265 1.00 1.47 H new ATOM 0 HD3 LYS A 100 -11.824 13.388 -0.418 1.00 1.47 H new ATOM 0 HE2 LYS A 100 -12.174 11.186 -1.512 1.00 2.02 H new ATOM 0 HE3 LYS A 100 -13.908 11.375 -1.347 1.00 2.02 H new ATOM 0 HZ1 LYS A 100 -13.160 12.027 -3.542 1.00 2.63 H new ATOM 0 HZ2 LYS A 100 -13.793 13.372 -2.721 1.00 2.63 H new ATOM 0 HZ3 LYS A 100 -12.113 13.189 -2.881 1.00 2.63 H new ATOM 1604 N SER A 101 -15.092 11.177 2.622 1.00 1.46 N ATOM 1605 CA SER A 101 -16.337 10.886 1.957 1.00 1.92 C ATOM 1606 C SER A 101 -16.824 9.502 2.353 1.00 1.73 C ATOM 1607 O SER A 101 -17.856 9.353 3.008 1.00 2.45 O ATOM 1608 CB SER A 101 -16.113 10.995 0.444 1.00 2.55 C ATOM 1609 OG SER A 101 -16.949 10.114 -0.286 1.00 3.05 O ATOM 0 H SER A 101 -14.473 10.373 2.724 1.00 1.46 H new ATOM 0 HA SER A 101 -17.107 11.598 2.253 1.00 1.92 H new ATOM 0 HB2 SER A 101 -16.300 12.020 0.124 1.00 2.55 H new ATOM 0 HB3 SER A 101 -15.070 10.776 0.216 1.00 2.55 H new ATOM 0 HG SER A 101 -16.775 10.217 -1.245 1.00 3.05 H new ATOM 1615 N SER A 102 -16.064 8.495 1.965 1.00 1.56 N ATOM 1616 CA SER A 102 -16.378 7.134 2.336 1.00 1.80 C ATOM 1617 C SER A 102 -15.544 6.722 3.541 1.00 2.12 C ATOM 1618 O SER A 102 -14.311 6.763 3.499 1.00 2.73 O ATOM 1619 CB SER A 102 -16.111 6.195 1.162 1.00 2.23 C ATOM 1620 OG SER A 102 -16.660 6.711 -0.039 1.00 2.75 O ATOM 0 H SER A 102 -15.226 8.597 1.393 1.00 1.56 H new ATOM 0 HA SER A 102 -17.434 7.071 2.599 1.00 1.80 H new ATOM 0 HB2 SER A 102 -15.037 6.053 1.043 1.00 2.23 H new ATOM 0 HB3 SER A 102 -16.541 5.215 1.371 1.00 2.23 H new ATOM 0 HG SER A 102 -16.474 6.092 -0.776 1.00 2.75 H new ATOM 1626 N ILE A 103 -16.217 6.362 4.619 1.00 2.41 N ATOM 1627 CA ILE A 103 -15.546 5.911 5.824 1.00 3.09 C ATOM 1628 C ILE A 103 -16.021 4.507 6.194 1.00 3.67 C ATOM 1629 O ILE A 103 -17.200 4.351 6.570 1.00 4.17 O ATOM 1630 CB ILE A 103 -15.756 6.900 7.003 1.00 3.79 C ATOM 1631 CG1 ILE A 103 -15.214 6.322 8.313 1.00 4.17 C ATOM 1632 CG2 ILE A 103 -17.222 7.284 7.150 1.00 4.47 C ATOM 1633 CD1 ILE A 103 -13.711 6.153 8.323 1.00 5.26 C ATOM 1634 OXT ILE A 103 -15.216 3.562 6.072 1.00 4.12 O ATOM 0 H ILE A 103 -17.235 6.374 4.684 1.00 2.41 H new ATOM 0 HA ILE A 103 -14.475 5.877 5.623 1.00 3.09 H new ATOM 0 HB ILE A 103 -15.194 7.805 6.774 1.00 3.79 H new ATOM 0 HG12 ILE A 103 -15.503 6.975 9.136 1.00 4.17 H new ATOM 0 HG13 ILE A 103 -15.681 5.354 8.495 1.00 4.17 H new ATOM 0 HG21 ILE A 103 -17.335 7.977 7.984 1.00 4.47 H new ATOM 0 HG22 ILE A 103 -17.567 7.761 6.233 1.00 4.47 H new ATOM 0 HG23 ILE A 103 -17.815 6.389 7.339 1.00 4.47 H new ATOM 0 HD11 ILE A 103 -13.398 5.739 9.282 1.00 5.26 H new ATOM 0 HD12 ILE A 103 -13.416 5.476 7.522 1.00 5.26 H new ATOM 0 HD13 ILE A 103 -13.235 7.122 8.173 1.00 5.26 H new TER 1646 ILE A 103