USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 722 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 40 GLN : amide:sc= 0.857 K(o=3.8,f=-1.8) USER MOD Set 1.2: B 138 LYS NZ :NH3+ -164:sc= 1.03 (180deg=0) USER MOD Set 1.3: B 141 GLN : amide:sc= 1.87 K(o=3.8,f=-1.8) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -156:sc= 0.954 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= 0.782 K(o=2.5,f=-1.7) USER MOD Set 2.3: B 140 GLN : amide:sc= 0.735 K(o=2.5,f=1.7) USER MOD Set 3.1: A 31 MET CE :methyl -166:sc= 0 (180deg=-0.329) USER MOD Set 3.2: B 123 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 28 ASN : amide:sc= 0.659 K(o=1.2,f=-0.015) USER MOD Set 4.2: A 29 GLN : amide:sc= 0.584 K(o=1.2,f=-0.019) USER MOD Set 5.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 5.2: B 127 LYS NZ :NH3+ 174:sc= 0.98 (180deg=0.947) USER MOD Set 5.3: B 131 MET CE :methyl -170:sc= -0.0105 (180deg=-0.151) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0328 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 30:sc= 0.267 USER MOD Single : A 20 SER OG : rot -93:sc= 0.584 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 0.935 (180deg=0.706) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 44 GLN : amide:sc= 0.97 K(o=0.97,f=0) USER MOD Single : B 104 SER OG : rot -106:sc= 0.00239 USER MOD Single : B 105 MET CE :methyl -176:sc= 0 (180deg=-0.0265) USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : B 107 LYS NZ :NH3+ -168:sc= 1.09 (180deg=1.02) USER MOD Single : B 109 THR OG1 : rot 180:sc= 0 USER MOD Single : B 110 SER OG : rot 180:sc= 0 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 115 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.21) USER MOD Single : B 118 TYR OH : rot 30:sc= 0.631 USER MOD Single : B 120 SER OG : rot 74:sc= 0.555 USER MOD Single : B 126 SER OG : rot 180:sc= 0 USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 129 GLN : amide:sc= 0.406 K(o=0.41,f=-3.2!) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 139 GLN : amide:sc= -0.85 K(o=-0.85,f=0) USER MOD Single : B 144 GLN : amide:sc= 0.589 K(o=0.59,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.718 34.647 4.958 1.00 0.00 N ATOM 2 CA GLY A 1 -12.539 34.026 5.597 1.00 0.00 C ATOM 3 C GLY A 1 -12.750 32.537 5.859 1.00 0.00 C ATOM 4 O GLY A 1 -13.469 31.881 5.101 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.417 35.176 4.114 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.393 33.906 4.680 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.175 35.297 5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.666 34.162 4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.327 34.533 6.538 1.00 0.00 H new ATOM 10 N PRO A 2 -12.122 31.972 6.913 1.00 0.00 N ATOM 11 CA PRO A 2 -12.244 30.557 7.292 1.00 0.00 C ATOM 12 C PRO A 2 -13.680 30.100 7.608 1.00 0.00 C ATOM 13 O PRO A 2 -14.560 30.911 7.917 1.00 0.00 O ATOM 14 CB PRO A 2 -11.322 30.378 8.505 1.00 0.00 C ATOM 15 CG PRO A 2 -10.271 31.467 8.319 1.00 0.00 C ATOM 16 CD PRO A 2 -11.102 32.609 7.741 1.00 0.00 C ATOM 0 HA PRO A 2 -11.960 29.929 6.448 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.864 30.500 9.443 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.872 29.385 8.524 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.797 31.743 9.261 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.476 31.156 7.641 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.556 33.204 8.534 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.483 33.284 7.150 1.00 0.00 H new ATOM 24 N GLY A 3 -13.914 28.785 7.555 1.00 0.00 N ATOM 25 CA GLY A 3 -15.218 28.169 7.840 1.00 0.00 C ATOM 26 C GLY A 3 -16.245 28.251 6.696 1.00 0.00 C ATOM 27 O GLY A 3 -17.438 28.050 6.933 1.00 0.00 O ATOM 0 H GLY A 3 -13.193 28.106 7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -15.060 27.120 8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -15.642 28.647 8.723 1.00 0.00 H new ATOM 31 N SER A 4 -15.804 28.543 5.465 1.00 0.00 N ATOM 32 CA SER A 4 -16.630 28.589 4.250 1.00 0.00 C ATOM 33 C SER A 4 -15.807 28.205 3.013 1.00 0.00 C ATOM 34 O SER A 4 -14.659 28.637 2.861 1.00 0.00 O ATOM 35 CB SER A 4 -17.247 29.980 4.086 1.00 0.00 C ATOM 36 OG SER A 4 -18.053 30.040 2.920 1.00 0.00 O ATOM 0 H SER A 4 -14.825 28.762 5.281 1.00 0.00 H new ATOM 0 HA SER A 4 -17.436 27.862 4.350 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.849 30.221 4.962 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.457 30.728 4.026 1.00 0.00 H new ATOM 0 HG SER A 4 -18.439 30.937 2.835 1.00 0.00 H new ATOM 42 N MET A 5 -16.385 27.379 2.137 1.00 0.00 N ATOM 43 CA MET A 5 -15.743 26.816 0.936 1.00 0.00 C ATOM 44 C MET A 5 -16.806 26.368 -0.085 1.00 0.00 C ATOM 45 O MET A 5 -17.886 25.910 0.291 1.00 0.00 O ATOM 46 CB MET A 5 -14.821 25.659 1.381 1.00 0.00 C ATOM 47 CG MET A 5 -14.144 24.885 0.243 1.00 0.00 C ATOM 48 SD MET A 5 -13.234 25.870 -0.994 1.00 0.00 S ATOM 49 CE MET A 5 -11.930 26.593 0.040 1.00 0.00 C ATOM 0 H MET A 5 -17.351 27.069 2.245 1.00 0.00 H new ATOM 0 HA MET A 5 -15.137 27.569 0.432 1.00 0.00 H new ATOM 0 HB2 MET A 5 -14.047 26.063 2.034 1.00 0.00 H new ATOM 0 HB3 MET A 5 -15.406 24.959 1.977 1.00 0.00 H new ATOM 0 HG2 MET A 5 -13.450 24.169 0.684 1.00 0.00 H new ATOM 0 HG3 MET A 5 -14.909 24.308 -0.278 1.00 0.00 H new ATOM 0 HE1 MET A 5 -11.288 27.225 -0.573 1.00 0.00 H new ATOM 0 HE2 MET A 5 -12.382 27.193 0.829 1.00 0.00 H new ATOM 0 HE3 MET A 5 -11.336 25.796 0.486 1.00 0.00 H new ATOM 59 N ASN A 6 -16.504 26.498 -1.382 1.00 0.00 N ATOM 60 CA ASN A 6 -17.412 26.144 -2.488 1.00 0.00 C ATOM 61 C ASN A 6 -17.615 24.627 -2.678 1.00 0.00 C ATOM 62 O ASN A 6 -18.651 24.201 -3.207 1.00 0.00 O ATOM 63 CB ASN A 6 -16.885 26.780 -3.788 1.00 0.00 C ATOM 64 CG ASN A 6 -16.805 28.294 -3.733 1.00 0.00 C ATOM 65 OD1 ASN A 6 -15.805 28.877 -3.331 1.00 0.00 O ATOM 66 ND2 ASN A 6 -17.845 28.991 -4.136 1.00 0.00 N ATOM 0 H ASN A 6 -15.605 26.859 -1.702 1.00 0.00 H new ATOM 0 HA ASN A 6 -18.395 26.537 -2.230 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -15.894 26.380 -4.003 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -17.533 26.488 -4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -17.816 30.010 -4.113 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -18.681 28.512 -4.472 1.00 0.00 H new ATOM 73 N LYS A 7 -16.635 23.807 -2.259 1.00 0.00 N ATOM 74 CA LYS A 7 -16.669 22.336 -2.319 1.00 0.00 C ATOM 75 C LYS A 7 -17.781 21.748 -1.424 1.00 0.00 C ATOM 76 O LYS A 7 -18.074 22.336 -0.375 1.00 0.00 O ATOM 77 CB LYS A 7 -15.288 21.762 -1.942 1.00 0.00 C ATOM 78 CG LYS A 7 -14.185 22.180 -2.932 1.00 0.00 C ATOM 79 CD LYS A 7 -12.830 21.529 -2.626 1.00 0.00 C ATOM 80 CE LYS A 7 -12.229 22.045 -1.312 1.00 0.00 C ATOM 81 NZ LYS A 7 -10.883 21.465 -1.067 1.00 0.00 N1+ ATOM 0 H LYS A 7 -15.768 24.163 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.904 22.045 -3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.019 22.099 -0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.347 20.674 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.491 21.912 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.075 23.264 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.952 20.447 -2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.138 21.729 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.158 23.132 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.891 21.794 -0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.504 21.833 -0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.956 20.429 -1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.245 21.726 -1.846 1.00 0.00 H new ATOM 95 N PRO A 8 -18.392 20.599 -1.791 1.00 0.00 N ATOM 96 CA PRO A 8 -19.473 19.972 -1.023 1.00 0.00 C ATOM 97 C PRO A 8 -19.003 19.419 0.335 1.00 0.00 C ATOM 98 O PRO A 8 -17.823 19.122 0.537 1.00 0.00 O ATOM 99 CB PRO A 8 -20.035 18.868 -1.928 1.00 0.00 C ATOM 100 CG PRO A 8 -18.825 18.478 -2.778 1.00 0.00 C ATOM 101 CD PRO A 8 -18.109 19.809 -2.978 1.00 0.00 C ATOM 0 HA PRO A 8 -20.235 20.706 -0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -20.412 18.024 -1.350 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -20.861 19.229 -2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -18.192 17.750 -2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -19.124 18.033 -3.727 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.036 19.660 -3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -18.466 20.313 -3.876 1.00 0.00 H new ATOM 109 N THR A 9 -19.953 19.249 1.263 1.00 0.00 N ATOM 110 CA THR A 9 -19.713 18.732 2.627 1.00 0.00 C ATOM 111 C THR A 9 -19.468 17.212 2.664 1.00 0.00 C ATOM 112 O THR A 9 -18.849 16.708 3.605 1.00 0.00 O ATOM 113 CB THR A 9 -20.896 19.121 3.544 1.00 0.00 C ATOM 114 OG1 THR A 9 -20.995 20.529 3.611 1.00 0.00 O ATOM 115 CG2 THR A 9 -20.785 18.658 4.997 1.00 0.00 C ATOM 0 H THR A 9 -20.933 19.470 1.088 1.00 0.00 H new ATOM 0 HA THR A 9 -18.795 19.193 2.992 1.00 0.00 H new ATOM 0 HB THR A 9 -21.755 18.626 3.091 1.00 0.00 H new ATOM 0 HG1 THR A 9 -21.745 20.777 4.190 1.00 0.00 H new ATOM 0 HG21 THR A 9 -21.666 18.983 5.551 1.00 0.00 H new ATOM 0 HG22 THR A 9 -20.718 17.571 5.028 1.00 0.00 H new ATOM 0 HG23 THR A 9 -19.892 19.090 5.449 1.00 0.00 H new ATOM 123 N SER A 10 -19.912 16.475 1.639 1.00 0.00 N ATOM 124 CA SER A 10 -19.785 15.012 1.514 1.00 0.00 C ATOM 125 C SER A 10 -19.528 14.579 0.053 1.00 0.00 C ATOM 126 O SER A 10 -19.779 15.348 -0.880 1.00 0.00 O ATOM 127 CB SER A 10 -21.036 14.338 2.113 1.00 0.00 C ATOM 128 OG SER A 10 -22.207 14.626 1.360 1.00 0.00 O ATOM 0 H SER A 10 -20.389 16.895 0.841 1.00 0.00 H new ATOM 0 HA SER A 10 -18.912 14.683 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 10 -20.884 13.259 2.150 1.00 0.00 H new ATOM 0 HB3 SER A 10 -21.173 14.676 3.140 1.00 0.00 H new ATOM 0 HG SER A 10 -22.977 14.180 1.770 1.00 0.00 H new ATOM 134 N SER A 11 -19.007 13.378 -0.228 1.00 0.00 N ATOM 135 CA SER A 11 -18.703 12.260 0.688 1.00 0.00 C ATOM 136 C SER A 11 -17.287 11.704 0.476 1.00 0.00 C ATOM 137 O SER A 11 -16.761 11.721 -0.638 1.00 0.00 O ATOM 138 CB SER A 11 -19.745 11.150 0.484 1.00 0.00 C ATOM 139 OG SER A 11 -19.562 10.079 1.396 1.00 0.00 O ATOM 0 H SER A 11 -18.764 13.137 -1.189 1.00 0.00 H new ATOM 0 HA SER A 11 -18.746 12.636 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.746 11.564 0.607 1.00 0.00 H new ATOM 0 HB3 SER A 11 -19.679 10.773 -0.537 1.00 0.00 H new ATOM 0 HG SER A 11 -20.244 9.394 1.237 1.00 0.00 H new ATOM 145 N ASP A 12 -16.675 11.166 1.535 1.00 0.00 N ATOM 146 CA ASP A 12 -15.319 10.579 1.549 1.00 0.00 C ATOM 147 C ASP A 12 -15.274 9.100 1.094 1.00 0.00 C ATOM 148 O ASP A 12 -14.348 8.356 1.432 1.00 0.00 O ATOM 149 CB ASP A 12 -14.674 10.784 2.932 1.00 0.00 C ATOM 150 CG ASP A 12 -14.612 12.249 3.407 1.00 0.00 C ATOM 151 OD1 ASP A 12 -14.576 12.474 4.643 1.00 0.00 O ATOM 152 OD2 ASP A 12 -14.565 13.188 2.572 1.00 0.00 O1- ATOM 0 H ASP A 12 -17.125 11.123 2.449 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.730 11.112 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.231 10.202 3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.661 10.382 2.908 1.00 0.00 H new ATOM 157 N GLY A 13 -16.272 8.656 0.320 1.00 0.00 N ATOM 158 CA GLY A 13 -16.443 7.276 -0.148 1.00 0.00 C ATOM 159 C GLY A 13 -15.378 6.767 -1.135 1.00 0.00 C ATOM 160 O GLY A 13 -15.407 5.594 -1.512 1.00 0.00 O ATOM 0 H GLY A 13 -17.013 9.274 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -16.452 6.616 0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.421 7.192 -0.622 1.00 0.00 H new ATOM 164 N TRP A 14 -14.413 7.603 -1.542 1.00 0.00 N ATOM 165 CA TRP A 14 -13.282 7.219 -2.404 1.00 0.00 C ATOM 166 C TRP A 14 -12.455 6.057 -1.830 1.00 0.00 C ATOM 167 O TRP A 14 -11.896 5.261 -2.583 1.00 0.00 O ATOM 168 CB TRP A 14 -12.387 8.452 -2.641 1.00 0.00 C ATOM 169 CG TRP A 14 -11.587 8.948 -1.466 1.00 0.00 C ATOM 170 CD1 TRP A 14 -11.959 9.944 -0.627 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.274 8.502 -0.981 1.00 0.00 C ATOM 172 NE1 TRP A 14 -10.987 10.131 0.339 1.00 0.00 N ATOM 173 CE2 TRP A 14 -9.926 9.265 0.175 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.336 7.530 -1.404 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.733 9.062 0.889 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.132 7.318 -0.701 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.832 8.076 0.445 1.00 0.00 C ATOM 0 H TRP A 14 -14.395 8.588 -1.276 1.00 0.00 H new ATOM 0 HA TRP A 14 -13.693 6.862 -3.348 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.694 8.218 -3.449 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.019 9.268 -2.990 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -12.877 10.508 -0.701 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.047 10.826 1.083 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.547 6.939 -2.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.511 9.653 1.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.435 6.568 -1.045 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.912 7.902 0.983 1.00 0.00 H new ATOM 188 N LYS A 15 -12.408 5.929 -0.498 1.00 0.00 N ATOM 189 CA LYS A 15 -11.607 4.936 0.235 1.00 0.00 C ATOM 190 C LYS A 15 -11.994 3.490 -0.083 1.00 0.00 C ATOM 191 O LYS A 15 -11.117 2.638 -0.190 1.00 0.00 O ATOM 192 CB LYS A 15 -11.748 5.196 1.742 1.00 0.00 C ATOM 193 CG LYS A 15 -11.209 6.578 2.148 1.00 0.00 C ATOM 194 CD LYS A 15 -11.466 6.848 3.633 1.00 0.00 C ATOM 195 CE LYS A 15 -10.925 8.231 4.007 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.197 8.551 5.435 1.00 0.00 N1+ ATOM 0 H LYS A 15 -12.945 6.535 0.122 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.572 5.053 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.798 5.120 2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.213 4.423 2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.139 6.630 1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.686 7.351 1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.534 6.796 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.984 6.082 4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.851 8.266 3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.383 8.987 3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.819 9.494 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.223 8.541 5.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.739 7.842 6.043 1.00 0.00 H new ATOM 210 N ASP A 16 -13.281 3.215 -0.284 1.00 0.00 N ATOM 211 CA ASP A 16 -13.784 1.875 -0.621 1.00 0.00 C ATOM 212 C ASP A 16 -13.359 1.441 -2.035 1.00 0.00 C ATOM 213 O ASP A 16 -12.945 0.300 -2.240 1.00 0.00 O ATOM 214 CB ASP A 16 -15.316 1.834 -0.490 1.00 0.00 C ATOM 215 CG ASP A 16 -15.851 2.056 0.937 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.085 1.976 1.927 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.074 2.289 1.076 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.015 3.920 -0.218 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.343 1.171 0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.743 2.594 -1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.671 0.868 -0.849 1.00 0.00 H new ATOM 222 N ASP A 17 -13.394 2.366 -2.995 1.00 0.00 N ATOM 223 CA ASP A 17 -12.876 2.143 -4.349 1.00 0.00 C ATOM 224 C ASP A 17 -11.340 2.010 -4.355 1.00 0.00 C ATOM 225 O ASP A 17 -10.777 1.216 -5.114 1.00 0.00 O ATOM 226 CB ASP A 17 -13.331 3.304 -5.246 1.00 0.00 C ATOM 227 CG ASP A 17 -13.017 3.084 -6.736 1.00 0.00 C ATOM 228 OD1 ASP A 17 -12.697 4.077 -7.433 1.00 0.00 O ATOM 229 OD2 ASP A 17 -13.130 1.939 -7.241 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.785 3.298 -2.856 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.273 1.203 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.405 3.447 -5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.848 4.222 -4.912 1.00 0.00 H new ATOM 234 N TYR A 18 -10.650 2.733 -3.467 1.00 0.00 N ATOM 235 CA TYR A 18 -9.199 2.639 -3.310 1.00 0.00 C ATOM 236 C TYR A 18 -8.778 1.268 -2.741 1.00 0.00 C ATOM 237 O TYR A 18 -7.903 0.610 -3.299 1.00 0.00 O ATOM 238 CB TYR A 18 -8.692 3.814 -2.457 1.00 0.00 C ATOM 239 CG TYR A 18 -7.316 4.297 -2.874 1.00 0.00 C ATOM 240 CD1 TYR A 18 -7.188 5.091 -4.027 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.171 3.968 -2.117 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.921 5.517 -4.458 1.00 0.00 C ATOM 243 CE2 TYR A 18 -4.896 4.388 -2.546 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.771 5.156 -3.726 1.00 0.00 C ATOM 245 OH TYR A 18 -3.542 5.518 -4.174 1.00 0.00 O ATOM 0 H TYR A 18 -11.087 3.403 -2.834 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.730 2.712 -4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.399 4.641 -2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.663 3.511 -1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.069 5.375 -4.584 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.272 3.394 -1.208 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.828 6.120 -5.349 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.018 4.124 -1.975 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.611 6.358 -4.675 1.00 0.00 H new ATOM 255 N LEU A 19 -9.459 0.769 -1.707 1.00 0.00 N ATOM 256 CA LEU A 19 -9.291 -0.611 -1.217 1.00 0.00 C ATOM 257 C LEU A 19 -9.572 -1.645 -2.324 1.00 0.00 C ATOM 258 O LEU A 19 -8.789 -2.582 -2.510 1.00 0.00 O ATOM 259 CB LEU A 19 -10.208 -0.833 0.004 1.00 0.00 C ATOM 260 CG LEU A 19 -9.499 -0.668 1.358 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.735 0.646 1.529 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.523 -0.779 2.488 1.00 0.00 C ATOM 0 H LEU A 19 -10.146 1.308 -1.181 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.253 -0.752 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.040 -0.130 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.634 -1.835 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.757 -1.466 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.269 0.670 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.965 0.722 0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.426 1.484 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.020 -0.662 3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.275 0.002 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.005 -1.756 2.448 1.00 0.00 H new ATOM 274 N SER A 20 -10.636 -1.449 -3.112 1.00 0.00 N ATOM 275 CA SER A 20 -10.971 -2.338 -4.232 1.00 0.00 C ATOM 276 C SER A 20 -9.849 -2.426 -5.275 1.00 0.00 C ATOM 277 O SER A 20 -9.490 -3.537 -5.677 1.00 0.00 O ATOM 278 CB SER A 20 -12.293 -1.923 -4.890 1.00 0.00 C ATOM 279 OG SER A 20 -12.632 -2.817 -5.943 1.00 0.00 O ATOM 0 H SER A 20 -11.287 -0.673 -2.992 1.00 0.00 H new ATOM 0 HA SER A 20 -11.090 -3.336 -3.810 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.088 -1.912 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.208 -0.909 -5.280 1.00 0.00 H new ATOM 0 HG SER A 20 -12.288 -2.468 -6.792 1.00 0.00 H new ATOM 285 N ARG A 21 -9.240 -1.298 -5.688 1.00 0.00 N ATOM 286 CA ARG A 21 -8.133 -1.297 -6.665 1.00 0.00 C ATOM 287 C ARG A 21 -6.801 -1.815 -6.087 1.00 0.00 C ATOM 288 O ARG A 21 -6.073 -2.518 -6.781 1.00 0.00 O ATOM 289 CB ARG A 21 -8.016 0.081 -7.359 1.00 0.00 C ATOM 290 CG ARG A 21 -7.105 1.086 -6.638 1.00 0.00 C ATOM 291 CD ARG A 21 -7.068 2.460 -7.313 1.00 0.00 C ATOM 292 NE ARG A 21 -5.908 3.232 -6.820 1.00 0.00 N ATOM 293 CZ ARG A 21 -4.721 3.342 -7.390 1.00 0.00 C ATOM 294 NH1 ARG A 21 -4.467 2.840 -8.568 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -3.743 3.946 -6.784 1.00 0.00 N ATOM 0 H ARG A 21 -9.498 -0.368 -5.357 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.382 -2.024 -7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.641 -0.068 -8.372 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.012 0.514 -7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.446 1.203 -5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.093 0.683 -6.594 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.004 2.342 -8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.991 3.002 -7.106 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.038 3.736 -5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.197 2.344 -9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.539 2.944 -8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.886 4.343 -5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.832 4.023 -7.237 1.00 0.00 H new ATOM 309 N LEU A 22 -6.500 -1.526 -4.817 1.00 0.00 N ATOM 310 CA LEU A 22 -5.287 -1.985 -4.115 1.00 0.00 C ATOM 311 C LEU A 22 -5.235 -3.518 -3.982 1.00 0.00 C ATOM 312 O LEU A 22 -4.161 -4.109 -4.072 1.00 0.00 O ATOM 313 CB LEU A 22 -5.214 -1.313 -2.725 1.00 0.00 C ATOM 314 CG LEU A 22 -4.447 0.024 -2.620 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.583 0.988 -3.797 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.907 0.748 -1.353 1.00 0.00 C ATOM 0 H LEU A 22 -7.105 -0.952 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.421 -1.694 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.234 -1.144 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.755 -2.019 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.395 -0.260 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.998 1.887 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.217 0.508 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.631 1.258 -3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.376 1.695 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.979 0.937 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.695 0.128 -0.482 1.00 0.00 H new ATOM 328 N SER A 23 -6.392 -4.175 -3.852 1.00 0.00 N ATOM 329 CA SER A 23 -6.508 -5.641 -3.784 1.00 0.00 C ATOM 330 C SER A 23 -6.083 -6.372 -5.074 1.00 0.00 C ATOM 331 O SER A 23 -5.740 -7.557 -5.026 1.00 0.00 O ATOM 332 CB SER A 23 -7.953 -6.012 -3.421 1.00 0.00 C ATOM 333 OG SER A 23 -8.047 -7.389 -3.081 1.00 0.00 O ATOM 0 H SER A 23 -7.291 -3.698 -3.790 1.00 0.00 H new ATOM 0 HA SER A 23 -5.810 -5.974 -3.016 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.291 -5.401 -2.584 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.612 -5.794 -4.261 1.00 0.00 H new ATOM 0 HG SER A 23 -8.974 -7.607 -2.851 1.00 0.00 H new ATOM 339 N ARG A 24 -6.094 -5.695 -6.235 1.00 0.00 N ATOM 340 CA ARG A 24 -5.850 -6.318 -7.556 1.00 0.00 C ATOM 341 C ARG A 24 -4.368 -6.585 -7.860 1.00 0.00 C ATOM 342 O ARG A 24 -4.049 -7.436 -8.693 1.00 0.00 O ATOM 343 CB ARG A 24 -6.444 -5.436 -8.678 1.00 0.00 C ATOM 344 CG ARG A 24 -7.867 -4.925 -8.409 1.00 0.00 C ATOM 345 CD ARG A 24 -8.855 -6.014 -7.998 1.00 0.00 C ATOM 346 NE ARG A 24 -10.178 -5.429 -7.702 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.352 -5.724 -8.227 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.506 -6.643 -9.139 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.415 -5.078 -7.833 1.00 0.00 N ATOM 0 H ARG A 24 -6.273 -4.692 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.344 -7.289 -7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.788 -4.579 -8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.447 -6.007 -9.607 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.828 -4.170 -7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.240 -4.432 -9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.947 -6.750 -8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.480 -6.541 -7.121 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.185 -4.695 -6.994 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.699 -7.168 -9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.434 -6.837 -9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.335 -4.350 -7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.326 -5.301 -8.235 1.00 0.00 H new ATOM 363 N LEU A 25 -3.475 -5.855 -7.196 1.00 0.00 N ATOM 364 CA LEU A 25 -2.020 -5.923 -7.385 1.00 0.00 C ATOM 365 C LEU A 25 -1.405 -7.219 -6.813 1.00 0.00 C ATOM 366 O LEU A 25 -1.811 -7.715 -5.761 1.00 0.00 O ATOM 367 CB LEU A 25 -1.334 -4.680 -6.771 1.00 0.00 C ATOM 368 CG LEU A 25 -1.478 -3.325 -7.501 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.162 -3.399 -8.998 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.855 -2.691 -7.330 1.00 0.00 C ATOM 0 H LEU A 25 -3.749 -5.175 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.841 -5.936 -8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.719 -4.554 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.270 -4.898 -6.683 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.732 -2.696 -7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.284 -2.412 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.135 -3.736 -9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.842 -4.102 -9.479 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.888 -1.743 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.616 -3.361 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.046 -2.515 -6.271 1.00 0.00 H new ATOM 382 N SER A 26 -0.383 -7.740 -7.501 1.00 0.00 N ATOM 383 CA SER A 26 0.468 -8.843 -7.024 1.00 0.00 C ATOM 384 C SER A 26 1.402 -8.399 -5.877 1.00 0.00 C ATOM 385 O SER A 26 1.568 -7.200 -5.637 1.00 0.00 O ATOM 386 CB SER A 26 1.273 -9.398 -8.213 1.00 0.00 C ATOM 387 OG SER A 26 2.019 -10.555 -7.863 1.00 0.00 O ATOM 0 H SER A 26 -0.116 -7.401 -8.425 1.00 0.00 H new ATOM 0 HA SER A 26 -0.169 -9.627 -6.614 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.592 -9.640 -9.029 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.951 -8.628 -8.581 1.00 0.00 H new ATOM 0 HG SER A 26 2.513 -10.875 -8.646 1.00 0.00 H new ATOM 393 N LYS A 27 2.031 -9.349 -5.172 1.00 0.00 N ATOM 394 CA LYS A 27 2.831 -9.103 -3.956 1.00 0.00 C ATOM 395 C LYS A 27 4.002 -8.132 -4.170 1.00 0.00 C ATOM 396 O LYS A 27 4.261 -7.300 -3.308 1.00 0.00 O ATOM 397 CB LYS A 27 3.319 -10.457 -3.401 1.00 0.00 C ATOM 398 CG LYS A 27 3.944 -10.398 -1.994 1.00 0.00 C ATOM 399 CD LYS A 27 2.972 -9.910 -0.905 1.00 0.00 C ATOM 400 CE LYS A 27 3.597 -10.102 0.478 1.00 0.00 C ATOM 401 NZ LYS A 27 2.672 -9.718 1.575 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.999 -10.334 -5.434 1.00 0.00 H new ATOM 0 HA LYS A 27 2.186 -8.607 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.476 -11.148 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.054 -10.872 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.308 -11.390 -1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.810 -9.737 -2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.734 -8.858 -1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.034 -10.462 -0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.888 -11.145 0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.507 -9.506 0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.214 -9.571 2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.179 -8.838 1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.975 -10.476 1.723 1.00 0.00 H new ATOM 415 N ASN A 28 4.672 -8.176 -5.326 1.00 0.00 N ATOM 416 CA ASN A 28 5.712 -7.200 -5.697 1.00 0.00 C ATOM 417 C ASN A 28 5.132 -5.807 -6.007 1.00 0.00 C ATOM 418 O ASN A 28 5.701 -4.779 -5.632 1.00 0.00 O ATOM 419 CB ASN A 28 6.481 -7.764 -6.906 1.00 0.00 C ATOM 420 CG ASN A 28 7.679 -6.901 -7.272 1.00 0.00 C ATOM 421 OD1 ASN A 28 8.697 -6.902 -6.587 1.00 0.00 O ATOM 422 ND2 ASN A 28 7.618 -6.145 -8.345 1.00 0.00 N ATOM 0 H ASN A 28 4.511 -8.890 -6.036 1.00 0.00 H new ATOM 0 HA ASN A 28 6.384 -7.057 -4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.818 -8.776 -6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.810 -7.834 -7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.414 -5.563 -8.605 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.774 -6.140 -8.918 1.00 0.00 H new ATOM 429 N GLN A 29 3.992 -5.777 -6.703 1.00 0.00 N ATOM 430 CA GLN A 29 3.371 -4.563 -7.238 1.00 0.00 C ATOM 431 C GLN A 29 2.684 -3.716 -6.152 1.00 0.00 C ATOM 432 O GLN A 29 2.780 -2.491 -6.179 1.00 0.00 O ATOM 433 CB GLN A 29 2.373 -4.948 -8.344 1.00 0.00 C ATOM 434 CG GLN A 29 2.966 -5.802 -9.477 1.00 0.00 C ATOM 435 CD GLN A 29 4.141 -5.119 -10.165 1.00 0.00 C ATOM 436 OE1 GLN A 29 5.292 -5.512 -10.021 1.00 0.00 O ATOM 437 NE2 GLN A 29 3.896 -4.052 -10.898 1.00 0.00 N ATOM 0 H GLN A 29 3.461 -6.621 -6.916 1.00 0.00 H new ATOM 0 HA GLN A 29 4.163 -3.939 -7.653 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.544 -5.493 -7.893 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.959 -4.036 -8.774 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.292 -6.761 -9.073 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.190 -6.013 -10.213 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.937 -3.725 -11.018 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.665 -3.553 -11.346 1.00 0.00 H new ATOM 446 N LEU A 30 2.040 -4.348 -5.161 1.00 0.00 N ATOM 447 CA LEU A 30 1.465 -3.644 -4.005 1.00 0.00 C ATOM 448 C LEU A 30 2.536 -2.951 -3.143 1.00 0.00 C ATOM 449 O LEU A 30 2.273 -1.883 -2.584 1.00 0.00 O ATOM 450 CB LEU A 30 0.553 -4.592 -3.205 1.00 0.00 C ATOM 451 CG LEU A 30 1.225 -5.792 -2.501 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.770 -5.468 -1.106 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.206 -6.925 -2.353 1.00 0.00 C ATOM 0 H LEU A 30 1.903 -5.358 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 30 0.841 -2.831 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.035 -4.003 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.208 -4.980 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 30 2.071 -6.074 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.226 -6.360 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.518 -4.679 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.954 -5.134 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.676 -7.774 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.639 -6.579 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.145 -7.230 -3.339 1.00 0.00 H new ATOM 465 N MET A 31 3.760 -3.495 -3.079 1.00 0.00 N ATOM 466 CA MET A 31 4.876 -2.826 -2.404 1.00 0.00 C ATOM 467 C MET A 31 5.341 -1.595 -3.188 1.00 0.00 C ATOM 468 O MET A 31 5.555 -0.543 -2.596 1.00 0.00 O ATOM 469 CB MET A 31 6.075 -3.763 -2.188 1.00 0.00 C ATOM 470 CG MET A 31 5.792 -4.964 -1.283 1.00 0.00 C ATOM 471 SD MET A 31 7.275 -5.940 -0.914 1.00 0.00 S ATOM 472 CE MET A 31 6.628 -7.625 -1.077 1.00 0.00 C ATOM 0 H MET A 31 4.000 -4.398 -3.488 1.00 0.00 H new ATOM 0 HA MET A 31 4.498 -2.518 -1.429 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.413 -4.128 -3.158 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.896 -3.188 -1.760 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.354 -4.612 -0.349 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.052 -5.605 -1.761 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.337 -8.331 -0.644 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.675 -7.701 -0.553 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.482 -7.858 -2.132 1.00 0.00 H new ATOM 482 N ALA A 32 5.463 -1.700 -4.516 1.00 0.00 N ATOM 483 CA ALA A 32 5.839 -0.581 -5.380 1.00 0.00 C ATOM 484 C ALA A 32 4.804 0.566 -5.341 1.00 0.00 C ATOM 485 O ALA A 32 5.182 1.739 -5.305 1.00 0.00 O ATOM 486 CB ALA A 32 6.056 -1.111 -6.805 1.00 0.00 C ATOM 0 H ALA A 32 5.302 -2.571 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 32 6.768 -0.146 -5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.337 -0.287 -7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.851 -1.857 -6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.134 -1.566 -7.168 1.00 0.00 H new ATOM 492 N LEU A 33 3.508 0.233 -5.264 1.00 0.00 N ATOM 493 CA LEU A 33 2.405 1.188 -5.078 1.00 0.00 C ATOM 494 C LEU A 33 2.545 1.942 -3.744 1.00 0.00 C ATOM 495 O LEU A 33 2.555 3.174 -3.726 1.00 0.00 O ATOM 496 CB LEU A 33 1.075 0.409 -5.213 1.00 0.00 C ATOM 497 CG LEU A 33 -0.257 1.173 -5.038 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.594 1.514 -3.586 1.00 0.00 C ATOM 499 CD2 LEU A 33 -0.319 2.449 -5.879 1.00 0.00 C ATOM 0 H LEU A 33 3.189 -0.733 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 33 2.427 1.964 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.063 -0.054 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.090 -0.399 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.008 0.469 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.543 2.049 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.673 0.595 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.193 2.141 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.276 2.945 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.491 3.118 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.216 2.195 -6.934 1.00 0.00 H new ATOM 511 N ALA A 34 2.707 1.220 -2.635 1.00 0.00 N ATOM 512 CA ALA A 34 2.881 1.822 -1.313 1.00 0.00 C ATOM 513 C ALA A 34 4.191 2.622 -1.199 1.00 0.00 C ATOM 514 O ALA A 34 4.202 3.689 -0.586 1.00 0.00 O ATOM 515 CB ALA A 34 2.784 0.704 -0.273 1.00 0.00 C ATOM 0 H ALA A 34 2.721 0.200 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 34 2.094 2.555 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.910 1.124 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.808 0.225 -0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.565 -0.034 -0.458 1.00 0.00 H new ATOM 521 N LEU A 35 5.284 2.177 -1.826 1.00 0.00 N ATOM 522 CA LEU A 35 6.572 2.889 -1.867 1.00 0.00 C ATOM 523 C LEU A 35 6.455 4.224 -2.631 1.00 0.00 C ATOM 524 O LEU A 35 6.920 5.258 -2.135 1.00 0.00 O ATOM 525 CB LEU A 35 7.620 1.925 -2.468 1.00 0.00 C ATOM 526 CG LEU A 35 9.111 2.296 -2.366 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.521 3.546 -3.148 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.537 2.463 -0.914 1.00 0.00 C ATOM 0 H LEU A 35 5.302 1.292 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 35 6.891 3.172 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.488 0.954 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.383 1.796 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 35 9.627 1.455 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.588 3.725 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.308 3.399 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.960 4.405 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.594 2.725 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.949 3.255 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.373 1.529 -0.377 1.00 0.00 H new ATOM 540 N LYS A 36 5.765 4.238 -3.783 1.00 0.00 N ATOM 541 CA LYS A 36 5.463 5.455 -4.562 1.00 0.00 C ATOM 542 C LYS A 36 4.644 6.469 -3.747 1.00 0.00 C ATOM 543 O LYS A 36 4.997 7.648 -3.704 1.00 0.00 O ATOM 544 CB LYS A 36 4.753 5.053 -5.866 1.00 0.00 C ATOM 545 CG LYS A 36 4.459 6.262 -6.772 1.00 0.00 C ATOM 546 CD LYS A 36 3.942 5.855 -8.160 1.00 0.00 C ATOM 547 CE LYS A 36 2.617 5.083 -8.093 1.00 0.00 C ATOM 548 NZ LYS A 36 2.113 4.752 -9.454 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.393 3.389 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 36 6.397 5.959 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.372 4.339 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.818 4.547 -5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.721 6.902 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.367 6.853 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.807 6.748 -8.770 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.692 5.240 -8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.757 4.165 -7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.874 5.678 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.217 4.231 -9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.957 5.630 -9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.813 4.164 -9.950 1.00 0.00 H new ATOM 562 N LEU A 37 3.618 6.004 -3.035 1.00 0.00 N ATOM 563 CA LEU A 37 2.853 6.811 -2.074 1.00 0.00 C ATOM 564 C LEU A 37 3.721 7.298 -0.897 1.00 0.00 C ATOM 565 O LEU A 37 3.512 8.422 -0.424 1.00 0.00 O ATOM 566 CB LEU A 37 1.658 5.978 -1.567 1.00 0.00 C ATOM 567 CG LEU A 37 0.313 6.280 -2.255 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.333 6.163 -3.778 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.742 5.311 -1.707 1.00 0.00 C ATOM 0 H LEU A 37 3.287 5.042 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 37 2.495 7.707 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.888 4.921 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.546 6.146 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 37 0.085 7.322 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.656 6.393 -4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.060 6.865 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.610 5.147 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.702 5.511 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.439 4.286 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.837 5.447 -0.630 1.00 0.00 H new ATOM 581 N LYS A 38 4.691 6.500 -0.424 1.00 0.00 N ATOM 582 CA LYS A 38 5.562 6.872 0.700 1.00 0.00 C ATOM 583 C LYS A 38 6.538 7.984 0.333 1.00 0.00 C ATOM 584 O LYS A 38 6.578 8.986 1.042 1.00 0.00 O ATOM 585 CB LYS A 38 6.318 5.651 1.273 1.00 0.00 C ATOM 586 CG LYS A 38 7.055 5.960 2.594 1.00 0.00 C ATOM 587 CD LYS A 38 6.104 6.454 3.697 1.00 0.00 C ATOM 588 CE LYS A 38 6.783 6.523 5.061 1.00 0.00 C ATOM 589 NZ LYS A 38 5.816 6.923 6.113 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.893 5.578 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 38 4.904 7.256 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.610 4.839 1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.039 5.299 0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.570 5.063 2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.819 6.716 2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.726 7.441 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.243 5.788 3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.214 5.552 5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.606 7.237 5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.328 7.351 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.144 7.614 5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.298 6.085 6.445 1.00 0.00 H new ATOM 603 N GLN A 39 7.286 7.861 -0.770 1.00 0.00 N ATOM 604 CA GLN A 39 8.270 8.884 -1.171 1.00 0.00 C ATOM 605 C GLN A 39 7.612 10.255 -1.446 1.00 0.00 C ATOM 606 O GLN A 39 8.218 11.292 -1.183 1.00 0.00 O ATOM 607 CB GLN A 39 9.122 8.379 -2.349 1.00 0.00 C ATOM 608 CG GLN A 39 8.346 8.174 -3.658 1.00 0.00 C ATOM 609 CD GLN A 39 9.249 7.767 -4.817 1.00 0.00 C ATOM 610 OE1 GLN A 39 9.583 8.559 -5.689 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.701 6.527 -4.865 1.00 0.00 N ATOM 0 H GLN A 39 7.231 7.064 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 39 8.944 9.052 -0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.929 9.090 -2.528 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.586 7.434 -2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.585 7.408 -3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.824 9.096 -3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.430 5.857 -4.145 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.321 6.239 -5.622 1.00 0.00 H new ATOM 620 N GLN A 40 6.353 10.265 -1.898 1.00 0.00 N ATOM 621 CA GLN A 40 5.547 11.472 -2.110 1.00 0.00 C ATOM 622 C GLN A 40 5.300 12.262 -0.812 1.00 0.00 C ATOM 623 O GLN A 40 5.469 13.485 -0.800 1.00 0.00 O ATOM 624 CB GLN A 40 4.210 11.072 -2.754 1.00 0.00 C ATOM 625 CG GLN A 40 4.351 10.806 -4.265 1.00 0.00 C ATOM 626 CD GLN A 40 3.149 10.086 -4.882 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.155 9.762 -4.240 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.189 9.801 -6.166 1.00 0.00 N ATOM 0 H GLN A 40 5.852 9.408 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 40 6.106 12.134 -2.771 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.825 10.178 -2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.479 11.864 -2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.497 11.756 -4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.247 10.210 -4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.005 10.060 -6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.404 9.321 -6.607 1.00 0.00 H new ATOM 637 N GLN A 41 4.926 11.589 0.287 1.00 0.00 N ATOM 638 CA GLN A 41 4.805 12.235 1.610 1.00 0.00 C ATOM 639 C GLN A 41 6.177 12.496 2.271 1.00 0.00 C ATOM 640 O GLN A 41 6.381 13.569 2.848 1.00 0.00 O ATOM 641 CB GLN A 41 3.820 11.461 2.516 1.00 0.00 C ATOM 642 CG GLN A 41 4.234 10.028 2.891 1.00 0.00 C ATOM 643 CD GLN A 41 3.446 9.439 4.061 1.00 0.00 C ATOM 644 OE1 GLN A 41 4.014 8.910 5.011 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.130 9.505 4.070 1.00 0.00 N ATOM 0 H GLN A 41 4.701 10.594 0.289 1.00 0.00 H new ATOM 0 HA GLN A 41 4.376 13.226 1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.679 12.030 3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.853 11.419 2.015 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.107 9.385 2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.295 10.021 3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.636 9.940 3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.605 9.121 4.856 1.00 0.00 H new ATOM 654 N LEU A 42 7.138 11.571 2.152 1.00 0.00 N ATOM 655 CA LEU A 42 8.410 11.598 2.880 1.00 0.00 C ATOM 656 C LEU A 42 9.332 12.763 2.491 1.00 0.00 C ATOM 657 O LEU A 42 9.955 13.368 3.363 1.00 0.00 O ATOM 658 CB LEU A 42 9.103 10.239 2.675 1.00 0.00 C ATOM 659 CG LEU A 42 10.267 9.970 3.648 1.00 0.00 C ATOM 660 CD1 LEU A 42 9.726 9.789 5.066 1.00 0.00 C ATOM 661 CD2 LEU A 42 10.996 8.694 3.233 1.00 0.00 C ATOM 0 H LEU A 42 7.049 10.766 1.533 1.00 0.00 H new ATOM 0 HA LEU A 42 8.192 11.768 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.363 9.446 2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.479 10.186 1.653 1.00 0.00 H new ATOM 0 HG LEU A 42 10.953 10.816 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.553 9.599 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.202 10.694 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.037 8.945 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.819 8.505 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.302 7.854 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.388 8.811 2.223 1.00 0.00 H new ATOM 673 N GLU A 43 9.406 13.109 1.202 1.00 0.00 N ATOM 674 CA GLU A 43 10.206 14.248 0.710 1.00 0.00 C ATOM 675 C GLU A 43 9.620 15.622 1.105 1.00 0.00 C ATOM 676 O GLU A 43 10.351 16.615 1.157 1.00 0.00 O ATOM 677 CB GLU A 43 10.366 14.145 -0.816 1.00 0.00 C ATOM 678 CG GLU A 43 11.281 12.980 -1.225 1.00 0.00 C ATOM 679 CD GLU A 43 11.583 12.935 -2.738 1.00 0.00 C ATOM 680 OE1 GLU A 43 10.855 13.549 -3.558 1.00 0.00 O ATOM 681 OE2 GLU A 43 12.575 12.267 -3.133 1.00 0.00 O1- ATOM 0 H GLU A 43 8.913 12.608 0.463 1.00 0.00 H new ATOM 0 HA GLU A 43 11.182 14.187 1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.386 14.014 -1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.775 15.079 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.220 13.057 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.815 12.041 -0.928 1.00 0.00 H new ATOM 688 N GLN A 44 8.318 15.687 1.419 1.00 0.00 N ATOM 689 CA GLN A 44 7.622 16.887 1.908 1.00 0.00 C ATOM 690 C GLN A 44 7.668 17.053 3.443 1.00 0.00 C ATOM 691 O GLN A 44 7.412 18.154 3.944 1.00 0.00 O ATOM 692 CB GLN A 44 6.167 16.874 1.398 1.00 0.00 C ATOM 693 CG GLN A 44 6.103 16.952 -0.137 1.00 0.00 C ATOM 694 CD GLN A 44 4.668 17.065 -0.639 1.00 0.00 C ATOM 695 OE1 GLN A 44 4.086 18.143 -0.719 1.00 0.00 O ATOM 696 NE2 GLN A 44 4.039 15.972 -1.015 1.00 0.00 N ATOM 0 H GLN A 44 7.700 14.880 1.337 1.00 0.00 H new ATOM 0 HA GLN A 44 8.153 17.751 1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.670 15.965 1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.623 17.715 1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.677 17.812 -0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.569 16.065 -0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.507 15.068 -0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.083 16.029 -1.366 1.00 0.00 H new ATOM 705 N GLY A 45 8.024 15.999 4.194 1.00 0.00 N ATOM 706 CA GLY A 45 8.191 15.991 5.660 1.00 0.00 C ATOM 707 C GLY A 45 6.870 16.023 6.432 1.00 0.00 C ATOM 708 O GLY A 45 6.136 15.011 6.410 1.00 0.00 O ATOM 709 OXT GLY A 45 6.592 17.052 7.090 1.00 0.00 O1- ATOM 0 H GLY A 45 8.212 15.086 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.748 15.099 5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.793 16.851 5.953 1.00 0.00 H new TER 713 GLY A 45 ATOM 714 N GLY B 101 31.180 7.215 16.377 1.00 0.00 N ATOM 715 CA GLY B 101 30.714 6.898 15.011 1.00 0.00 C ATOM 716 C GLY B 101 31.873 6.778 14.021 1.00 0.00 C ATOM 717 O GLY B 101 32.974 7.265 14.301 1.00 0.00 O ATOM 0 HA2 GLY B 101 30.154 5.963 15.027 1.00 0.00 H new ATOM 0 HA3 GLY B 101 30.028 7.675 14.673 1.00 0.00 H new ATOM 723 N PRO B 102 31.659 6.134 12.857 1.00 0.00 N ATOM 724 CA PRO B 102 32.682 5.947 11.820 1.00 0.00 C ATOM 725 C PRO B 102 33.119 7.280 11.182 1.00 0.00 C ATOM 726 O PRO B 102 32.298 8.164 10.918 1.00 0.00 O ATOM 727 CB PRO B 102 32.058 4.996 10.794 1.00 0.00 C ATOM 728 CG PRO B 102 30.559 5.265 10.929 1.00 0.00 C ATOM 729 CD PRO B 102 30.396 5.545 12.421 1.00 0.00 C ATOM 0 HA PRO B 102 33.598 5.532 12.242 1.00 0.00 H new ATOM 0 HB2 PRO B 102 32.414 5.203 9.785 1.00 0.00 H new ATOM 0 HB3 PRO B 102 32.301 3.956 11.010 1.00 0.00 H new ATOM 0 HG2 PRO B 102 30.245 6.114 10.322 1.00 0.00 H new ATOM 0 HG3 PRO B 102 29.965 4.408 10.611 1.00 0.00 H new ATOM 0 HD2 PRO B 102 29.564 6.226 12.602 1.00 0.00 H new ATOM 0 HD3 PRO B 102 30.183 4.628 12.970 1.00 0.00 H new ATOM 737 N GLY B 103 34.417 7.409 10.896 1.00 0.00 N ATOM 738 CA GLY B 103 35.060 8.645 10.409 1.00 0.00 C ATOM 739 C GLY B 103 34.900 8.950 8.913 1.00 0.00 C ATOM 740 O GLY B 103 35.416 9.973 8.445 1.00 0.00 O ATOM 0 H GLY B 103 35.075 6.636 10.998 1.00 0.00 H new ATOM 0 HA2 GLY B 103 34.658 9.486 10.975 1.00 0.00 H new ATOM 0 HA3 GLY B 103 36.125 8.589 10.635 1.00 0.00 H new ATOM 744 N SER B 104 34.221 8.087 8.146 1.00 0.00 N ATOM 745 CA SER B 104 34.043 8.247 6.693 1.00 0.00 C ATOM 746 C SER B 104 33.240 9.504 6.330 1.00 0.00 C ATOM 747 O SER B 104 32.234 9.825 6.969 1.00 0.00 O ATOM 748 CB SER B 104 33.384 6.997 6.092 1.00 0.00 C ATOM 749 OG SER B 104 33.322 7.117 4.680 1.00 0.00 O ATOM 0 H SER B 104 33.775 7.249 8.519 1.00 0.00 H new ATOM 0 HA SER B 104 35.037 8.371 6.264 1.00 0.00 H new ATOM 0 HB2 SER B 104 33.952 6.108 6.366 1.00 0.00 H new ATOM 0 HB3 SER B 104 32.381 6.872 6.500 1.00 0.00 H new ATOM 0 HG SER B 104 32.399 7.300 4.408 1.00 0.00 H new ATOM 755 N MET B 105 33.670 10.209 5.277 1.00 0.00 N ATOM 756 CA MET B 105 33.077 11.469 4.801 1.00 0.00 C ATOM 757 C MET B 105 31.709 11.311 4.103 1.00 0.00 C ATOM 758 O MET B 105 31.035 12.309 3.837 1.00 0.00 O ATOM 759 CB MET B 105 34.072 12.189 3.875 1.00 0.00 C ATOM 760 CG MET B 105 35.422 12.499 4.545 1.00 0.00 C ATOM 761 SD MET B 105 35.354 13.558 6.028 1.00 0.00 S ATOM 762 CE MET B 105 34.790 15.128 5.309 1.00 0.00 C ATOM 0 H MET B 105 34.466 9.910 4.713 1.00 0.00 H new ATOM 0 HA MET B 105 32.878 12.066 5.691 1.00 0.00 H new ATOM 0 HB2 MET B 105 34.246 11.573 2.993 1.00 0.00 H new ATOM 0 HB3 MET B 105 33.625 13.121 3.529 1.00 0.00 H new ATOM 0 HG2 MET B 105 35.895 11.556 4.818 1.00 0.00 H new ATOM 0 HG3 MET B 105 36.068 12.978 3.810 1.00 0.00 H new ATOM 0 HE1 MET B 105 34.768 15.896 6.083 1.00 0.00 H new ATOM 0 HE2 MET B 105 35.473 15.431 4.516 1.00 0.00 H new ATOM 0 HE3 MET B 105 33.789 15.001 4.896 1.00 0.00 H new ATOM 772 N ASN B 106 31.277 10.078 3.822 1.00 0.00 N ATOM 773 CA ASN B 106 29.955 9.724 3.300 1.00 0.00 C ATOM 774 C ASN B 106 29.342 8.591 4.145 1.00 0.00 C ATOM 775 O ASN B 106 30.049 7.651 4.522 1.00 0.00 O ATOM 776 CB ASN B 106 30.100 9.358 1.814 1.00 0.00 C ATOM 777 CG ASN B 106 28.765 9.047 1.157 1.00 0.00 C ATOM 778 OD1 ASN B 106 28.258 7.932 1.218 1.00 0.00 O ATOM 779 ND2 ASN B 106 28.142 10.018 0.522 1.00 0.00 N ATOM 0 H ASN B 106 31.870 9.259 3.960 1.00 0.00 H new ATOM 0 HA ASN B 106 29.266 10.566 3.371 1.00 0.00 H new ATOM 0 HB2 ASN B 106 30.578 10.183 1.285 1.00 0.00 H new ATOM 0 HB3 ASN B 106 30.758 8.494 1.719 1.00 0.00 H new ATOM 0 HD21 ASN B 106 27.239 9.842 0.082 1.00 0.00 H new ATOM 0 HD22 ASN B 106 28.563 10.946 0.471 1.00 0.00 H new ATOM 786 N LYS B 107 28.042 8.682 4.464 1.00 0.00 N ATOM 787 CA LYS B 107 27.335 7.774 5.397 1.00 0.00 C ATOM 788 C LYS B 107 25.998 7.284 4.808 1.00 0.00 C ATOM 789 O LYS B 107 25.323 8.056 4.114 1.00 0.00 O ATOM 790 CB LYS B 107 27.127 8.452 6.768 1.00 0.00 C ATOM 791 CG LYS B 107 28.420 9.032 7.375 1.00 0.00 C ATOM 792 CD LYS B 107 28.204 9.459 8.834 1.00 0.00 C ATOM 793 CE LYS B 107 29.250 10.471 9.333 1.00 0.00 C ATOM 794 NZ LYS B 107 30.637 9.941 9.324 1.00 0.00 N1+ ATOM 0 H LYS B 107 27.434 9.403 4.075 1.00 0.00 H new ATOM 0 HA LYS B 107 27.963 6.896 5.545 1.00 0.00 H new ATOM 0 HB2 LYS B 107 26.396 9.253 6.660 1.00 0.00 H new ATOM 0 HB3 LYS B 107 26.704 7.726 7.462 1.00 0.00 H new ATOM 0 HG2 LYS B 107 29.215 8.287 7.325 1.00 0.00 H new ATOM 0 HG3 LYS B 107 28.749 9.889 6.787 1.00 0.00 H new ATOM 0 HD2 LYS B 107 27.210 9.895 8.934 1.00 0.00 H new ATOM 0 HD3 LYS B 107 28.230 8.575 9.472 1.00 0.00 H new ATOM 0 HE2 LYS B 107 29.207 11.364 8.710 1.00 0.00 H new ATOM 0 HE3 LYS B 107 28.993 10.777 10.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 31.258 10.585 9.854 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 30.652 9.001 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 30.973 9.865 8.343 1.00 0.00 H new ATOM 808 N PRO B 108 25.557 6.038 5.094 1.00 0.00 N ATOM 809 CA PRO B 108 24.350 5.446 4.502 1.00 0.00 C ATOM 810 C PRO B 108 23.042 6.141 4.914 1.00 0.00 C ATOM 811 O PRO B 108 22.036 6.028 4.209 1.00 0.00 O ATOM 812 CB PRO B 108 24.372 3.971 4.925 1.00 0.00 C ATOM 813 CG PRO B 108 25.168 3.982 6.226 1.00 0.00 C ATOM 814 CD PRO B 108 26.208 5.074 5.973 1.00 0.00 C ATOM 0 HA PRO B 108 24.367 5.567 3.419 1.00 0.00 H new ATOM 0 HB2 PRO B 108 23.365 3.582 5.075 1.00 0.00 H new ATOM 0 HB3 PRO B 108 24.847 3.345 4.170 1.00 0.00 H new ATOM 0 HG2 PRO B 108 24.538 4.214 7.085 1.00 0.00 H new ATOM 0 HG3 PRO B 108 25.634 3.017 6.424 1.00 0.00 H new ATOM 0 HD2 PRO B 108 26.520 5.543 6.906 1.00 0.00 H new ATOM 0 HD3 PRO B 108 27.104 4.662 5.508 1.00 0.00 H new ATOM 822 N THR B 109 23.045 6.906 6.008 1.00 0.00 N ATOM 823 CA THR B 109 21.900 7.718 6.469 1.00 0.00 C ATOM 824 C THR B 109 21.503 8.837 5.492 1.00 0.00 C ATOM 825 O THR B 109 20.360 9.296 5.524 1.00 0.00 O ATOM 826 CB THR B 109 22.200 8.326 7.851 1.00 0.00 C ATOM 827 OG1 THR B 109 23.394 9.084 7.818 1.00 0.00 O ATOM 828 CG2 THR B 109 22.375 7.256 8.926 1.00 0.00 C ATOM 0 H THR B 109 23.859 6.985 6.617 1.00 0.00 H new ATOM 0 HA THR B 109 21.052 7.035 6.528 1.00 0.00 H new ATOM 0 HB THR B 109 21.343 8.954 8.094 1.00 0.00 H new ATOM 0 HG1 THR B 109 23.566 9.463 8.705 1.00 0.00 H new ATOM 0 HG21 THR B 109 22.585 7.733 9.883 1.00 0.00 H new ATOM 0 HG22 THR B 109 21.461 6.668 9.006 1.00 0.00 H new ATOM 0 HG23 THR B 109 23.204 6.602 8.657 1.00 0.00 H new ATOM 836 N SER B 110 22.408 9.260 4.596 1.00 0.00 N ATOM 837 CA SER B 110 22.133 10.234 3.518 1.00 0.00 C ATOM 838 C SER B 110 21.626 9.590 2.214 1.00 0.00 C ATOM 839 O SER B 110 21.175 10.303 1.315 1.00 0.00 O ATOM 840 CB SER B 110 23.392 11.059 3.218 1.00 0.00 C ATOM 841 OG SER B 110 23.822 11.769 4.372 1.00 0.00 O ATOM 0 H SER B 110 23.373 8.930 4.597 1.00 0.00 H new ATOM 0 HA SER B 110 21.331 10.873 3.889 1.00 0.00 H new ATOM 0 HB2 SER B 110 24.189 10.400 2.874 1.00 0.00 H new ATOM 0 HB3 SER B 110 23.187 11.761 2.410 1.00 0.00 H new ATOM 0 HG SER B 110 24.626 12.286 4.157 1.00 0.00 H new ATOM 847 N SER B 111 21.711 8.260 2.083 1.00 0.00 N ATOM 848 CA SER B 111 21.294 7.489 0.900 1.00 0.00 C ATOM 849 C SER B 111 19.786 7.162 0.904 1.00 0.00 C ATOM 850 O SER B 111 19.134 7.166 1.950 1.00 0.00 O ATOM 851 CB SER B 111 22.144 6.215 0.810 1.00 0.00 C ATOM 852 OG SER B 111 21.896 5.490 -0.387 1.00 0.00 O ATOM 0 H SER B 111 22.086 7.668 2.824 1.00 0.00 H new ATOM 0 HA SER B 111 21.460 8.103 0.015 1.00 0.00 H new ATOM 0 HB2 SER B 111 23.200 6.480 0.860 1.00 0.00 H new ATOM 0 HB3 SER B 111 21.934 5.578 1.669 1.00 0.00 H new ATOM 0 HG SER B 111 22.458 4.687 -0.406 1.00 0.00 H new ATOM 858 N ASP B 112 19.219 6.836 -0.262 1.00 0.00 N ATOM 859 CA ASP B 112 17.822 6.384 -0.421 1.00 0.00 C ATOM 860 C ASP B 112 17.609 4.880 -0.114 1.00 0.00 C ATOM 861 O ASP B 112 16.565 4.313 -0.445 1.00 0.00 O ATOM 862 CB ASP B 112 17.254 6.790 -1.795 1.00 0.00 C ATOM 863 CG ASP B 112 17.757 5.980 -3.006 1.00 0.00 C ATOM 864 OD1 ASP B 112 17.039 5.987 -4.037 1.00 0.00 O ATOM 865 OD2 ASP B 112 18.846 5.359 -2.954 1.00 0.00 O1- ATOM 0 H ASP B 112 19.726 6.878 -1.146 1.00 0.00 H new ATOM 0 HA ASP B 112 17.248 6.907 0.344 1.00 0.00 H new ATOM 0 HB2 ASP B 112 16.168 6.707 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP B 112 17.487 7.841 -1.965 1.00 0.00 H new ATOM 870 N GLY B 113 18.567 4.230 0.560 1.00 0.00 N ATOM 871 CA GLY B 113 18.515 2.815 0.963 1.00 0.00 C ATOM 872 C GLY B 113 17.375 2.451 1.927 1.00 0.00 C ATOM 873 O GLY B 113 17.095 1.265 2.114 1.00 0.00 O ATOM 0 H GLY B 113 19.430 4.689 0.851 1.00 0.00 H new ATOM 0 HA2 GLY B 113 18.421 2.202 0.067 1.00 0.00 H new ATOM 0 HA3 GLY B 113 19.463 2.552 1.431 1.00 0.00 H new ATOM 877 N TRP B 114 16.668 3.444 2.486 1.00 0.00 N ATOM 878 CA TRP B 114 15.439 3.257 3.274 1.00 0.00 C ATOM 879 C TRP B 114 14.341 2.504 2.501 1.00 0.00 C ATOM 880 O TRP B 114 13.535 1.802 3.110 1.00 0.00 O ATOM 881 CB TRP B 114 14.920 4.632 3.736 1.00 0.00 C ATOM 882 CG TRP B 114 14.340 5.527 2.675 1.00 0.00 C ATOM 883 CD1 TRP B 114 14.990 6.539 2.058 1.00 0.00 C ATOM 884 CD2 TRP B 114 12.996 5.509 2.088 1.00 0.00 C ATOM 885 NE1 TRP B 114 14.167 7.114 1.109 1.00 0.00 N ATOM 886 CE2 TRP B 114 12.925 6.512 1.077 1.00 0.00 C ATOM 887 CE3 TRP B 114 11.827 4.743 2.313 1.00 0.00 C ATOM 888 CZ2 TRP B 114 11.767 6.732 0.307 1.00 0.00 C ATOM 889 CZ3 TRP B 114 10.660 4.956 1.554 1.00 0.00 C ATOM 890 CH2 TRP B 114 10.625 5.942 0.548 1.00 0.00 C ATOM 0 H TRP B 114 16.941 4.423 2.401 1.00 0.00 H new ATOM 0 HA TRP B 114 15.690 2.638 4.135 1.00 0.00 H new ATOM 0 HB2 TRP B 114 14.158 4.469 4.498 1.00 0.00 H new ATOM 0 HB3 TRP B 114 15.742 5.162 4.216 1.00 0.00 H new ATOM 0 HD1 TRP B 114 16.001 6.851 2.274 1.00 0.00 H new ATOM 0 HE1 TRP B 114 14.443 7.889 0.506 1.00 0.00 H new ATOM 0 HE3 TRP B 114 11.830 3.982 3.080 1.00 0.00 H new ATOM 0 HZ2 TRP B 114 11.754 7.495 -0.457 1.00 0.00 H new ATOM 0 HZ3 TRP B 114 9.782 4.357 1.745 1.00 0.00 H new ATOM 0 HH2 TRP B 114 9.728 6.091 -0.035 1.00 0.00 H new ATOM 901 N LYS B 115 14.315 2.612 1.163 1.00 0.00 N ATOM 902 CA LYS B 115 13.322 1.977 0.286 1.00 0.00 C ATOM 903 C LYS B 115 13.319 0.445 0.385 1.00 0.00 C ATOM 904 O LYS B 115 12.250 -0.167 0.376 1.00 0.00 O ATOM 905 CB LYS B 115 13.588 2.401 -1.166 1.00 0.00 C ATOM 906 CG LYS B 115 13.354 3.899 -1.410 1.00 0.00 C ATOM 907 CD LYS B 115 13.840 4.277 -2.813 1.00 0.00 C ATOM 908 CE LYS B 115 13.600 5.767 -3.077 1.00 0.00 C ATOM 909 NZ LYS B 115 14.242 6.186 -4.350 1.00 0.00 N1+ ATOM 0 H LYS B 115 15.005 3.160 0.648 1.00 0.00 H new ATOM 0 HA LYS B 115 12.339 2.313 0.616 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.617 2.153 -1.428 1.00 0.00 H new ATOM 0 HB3 LYS B 115 12.943 1.826 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.294 4.133 -1.307 1.00 0.00 H new ATOM 0 HG3 LYS B 115 13.885 4.486 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.902 4.050 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.316 3.680 -3.560 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.529 5.965 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS B 115 13.999 6.356 -2.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 13.970 7.165 -4.570 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 15.276 6.128 -4.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.931 5.559 -5.119 1.00 0.00 H new ATOM 923 N ASP B 116 14.492 -0.175 0.531 1.00 0.00 N ATOM 924 CA ASP B 116 14.634 -1.631 0.682 1.00 0.00 C ATOM 925 C ASP B 116 14.094 -2.122 2.037 1.00 0.00 C ATOM 926 O ASP B 116 13.420 -3.149 2.106 1.00 0.00 O ATOM 927 CB ASP B 116 16.110 -2.039 0.518 1.00 0.00 C ATOM 928 CG ASP B 116 16.727 -1.718 -0.856 1.00 0.00 C ATOM 929 OD1 ASP B 116 17.977 -1.719 -0.958 1.00 0.00 O ATOM 930 OD2 ASP B 116 15.988 -1.509 -1.851 1.00 0.00 O1- ATOM 0 H ASP B 116 15.382 0.323 0.548 1.00 0.00 H new ATOM 0 HA ASP B 116 14.039 -2.104 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.697 -1.539 1.288 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.197 -3.111 0.697 1.00 0.00 H new ATOM 935 N ASP B 117 14.328 -1.363 3.111 1.00 0.00 N ATOM 936 CA ASP B 117 13.744 -1.628 4.433 1.00 0.00 C ATOM 937 C ASP B 117 12.220 -1.392 4.446 1.00 0.00 C ATOM 938 O ASP B 117 11.475 -2.106 5.120 1.00 0.00 O ATOM 939 CB ASP B 117 14.433 -0.725 5.471 1.00 0.00 C ATOM 940 CG ASP B 117 14.056 -1.062 6.924 1.00 0.00 C ATOM 941 OD1 ASP B 117 13.927 -0.123 7.749 1.00 0.00 O ATOM 942 OD2 ASP B 117 13.921 -2.261 7.271 1.00 0.00 O1- ATOM 0 H ASP B 117 14.932 -0.541 3.090 1.00 0.00 H new ATOM 0 HA ASP B 117 13.907 -2.677 4.680 1.00 0.00 H new ATOM 0 HB2 ASP B 117 15.513 -0.811 5.355 1.00 0.00 H new ATOM 0 HB3 ASP B 117 14.172 0.314 5.268 1.00 0.00 H new ATOM 947 N TYR B 118 11.734 -0.433 3.646 1.00 0.00 N ATOM 948 CA TYR B 118 10.301 -0.168 3.503 1.00 0.00 C ATOM 949 C TYR B 118 9.589 -1.313 2.767 1.00 0.00 C ATOM 950 O TYR B 118 8.582 -1.829 3.257 1.00 0.00 O ATOM 951 CB TYR B 118 10.081 1.205 2.845 1.00 0.00 C ATOM 952 CG TYR B 118 8.792 1.853 3.310 1.00 0.00 C ATOM 953 CD1 TYR B 118 7.650 1.878 2.490 1.00 0.00 C ATOM 954 CD2 TYR B 118 8.740 2.397 4.609 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.438 2.393 2.989 1.00 0.00 C ATOM 956 CE2 TYR B 118 7.533 2.917 5.110 1.00 0.00 C ATOM 957 CZ TYR B 118 6.373 2.884 4.309 1.00 0.00 C ATOM 958 OH TYR B 118 5.189 3.290 4.840 1.00 0.00 O ATOM 0 H TYR B 118 12.324 0.178 3.082 1.00 0.00 H new ATOM 0 HA TYR B 118 9.846 -0.127 4.493 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.921 1.859 3.079 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.059 1.089 1.761 1.00 0.00 H new ATOM 0 HD1 TYR B 118 7.702 1.503 1.479 1.00 0.00 H new ATOM 0 HD2 TYR B 118 9.629 2.415 5.221 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.559 2.412 2.361 1.00 0.00 H new ATOM 0 HE2 TYR B 118 7.495 3.339 6.103 1.00 0.00 H new ATOM 0 HH TYR B 118 4.457 2.778 4.437 1.00 0.00 H new ATOM 968 N LEU B 119 10.147 -1.806 1.655 1.00 0.00 N ATOM 969 CA LEU B 119 9.685 -3.034 0.987 1.00 0.00 C ATOM 970 C LEU B 119 9.711 -4.244 1.939 1.00 0.00 C ATOM 971 O LEU B 119 8.752 -5.016 1.978 1.00 0.00 O ATOM 972 CB LEU B 119 10.553 -3.288 -0.265 1.00 0.00 C ATOM 973 CG LEU B 119 9.889 -2.852 -1.584 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.433 -1.389 -1.598 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.851 -3.065 -2.754 1.00 0.00 C ATOM 0 H LEU B 119 10.938 -1.362 1.188 1.00 0.00 H new ATOM 0 HA LEU B 119 8.647 -2.899 0.683 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.499 -2.758 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.788 -4.351 -0.322 1.00 0.00 H new ATOM 0 HG LEU B 119 8.999 -3.473 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU B 119 8.976 -1.160 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU B 119 8.705 -1.227 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.293 -0.738 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.371 -2.753 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.753 -2.474 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.116 -4.120 -2.820 1.00 0.00 H new ATOM 987 N SER B 120 10.758 -4.382 2.760 1.00 0.00 N ATOM 988 CA SER B 120 10.859 -5.457 3.754 1.00 0.00 C ATOM 989 C SER B 120 9.704 -5.431 4.767 1.00 0.00 C ATOM 990 O SER B 120 9.101 -6.483 5.019 1.00 0.00 O ATOM 991 CB SER B 120 12.220 -5.419 4.464 1.00 0.00 C ATOM 992 OG SER B 120 12.342 -6.488 5.391 1.00 0.00 O ATOM 0 H SER B 120 11.560 -3.751 2.754 1.00 0.00 H new ATOM 0 HA SER B 120 10.779 -6.400 3.213 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.020 -5.480 3.727 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.337 -4.468 4.983 1.00 0.00 H new ATOM 0 HG SER B 120 12.482 -7.328 4.905 1.00 0.00 H new ATOM 998 N ARG B 121 9.332 -4.258 5.308 1.00 0.00 N ATOM 999 CA ARG B 121 8.200 -4.137 6.258 1.00 0.00 C ATOM 1000 C ARG B 121 6.830 -4.282 5.584 1.00 0.00 C ATOM 1001 O ARG B 121 5.940 -4.910 6.159 1.00 0.00 O ATOM 1002 CB ARG B 121 8.325 -2.875 7.141 1.00 0.00 C ATOM 1003 CG ARG B 121 7.652 -1.595 6.603 1.00 0.00 C ATOM 1004 CD ARG B 121 7.738 -0.452 7.618 1.00 0.00 C ATOM 1005 NE ARG B 121 6.817 0.649 7.257 1.00 0.00 N ATOM 1006 CZ ARG B 121 5.972 1.291 8.049 1.00 0.00 C ATOM 1007 NH1 ARG B 121 5.876 1.039 9.325 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 5.190 2.213 7.572 1.00 0.00 N ATOM 0 H ARG B 121 9.798 -3.374 5.106 1.00 0.00 H new ATOM 0 HA ARG B 121 8.265 -4.989 6.935 1.00 0.00 H new ATOM 0 HB2 ARG B 121 7.901 -3.099 8.120 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.384 -2.667 7.292 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.131 -1.294 5.672 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.607 -1.801 6.372 1.00 0.00 H new ATOM 0 HD2 ARG B 121 7.493 -0.825 8.612 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.760 -0.076 7.662 1.00 0.00 H new ATOM 0 HE ARG B 121 6.835 0.949 6.282 1.00 0.00 H new ATOM 0 HH11 ARG B 121 6.466 0.323 9.749 1.00 0.00 H new ATOM 0 HH12 ARG B 121 5.211 1.558 9.899 1.00 0.00 H new ATOM 0 HH21 ARG B 121 5.224 2.447 6.580 1.00 0.00 H new ATOM 0 HH22 ARG B 121 4.542 2.702 8.190 1.00 0.00 H new ATOM 1022 N LEU B 122 6.663 -3.773 4.356 1.00 0.00 N ATOM 1023 CA LEU B 122 5.417 -3.886 3.576 1.00 0.00 C ATOM 1024 C LEU B 122 5.067 -5.346 3.236 1.00 0.00 C ATOM 1025 O LEU B 122 3.891 -5.712 3.208 1.00 0.00 O ATOM 1026 CB LEU B 122 5.544 -3.034 2.294 1.00 0.00 C ATOM 1027 CG LEU B 122 5.056 -1.573 2.395 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.364 -0.851 3.709 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.700 -0.781 1.255 1.00 0.00 C ATOM 0 H LEU B 122 7.399 -3.263 3.867 1.00 0.00 H new ATOM 0 HA LEU B 122 4.597 -3.511 4.188 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.591 -3.025 1.991 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.986 -3.527 1.498 1.00 0.00 H new ATOM 0 HG LEU B 122 3.969 -1.623 2.339 1.00 0.00 H new ATOM 0 HD11 LEU B 122 4.975 0.166 3.665 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.894 -1.384 4.536 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.443 -0.820 3.863 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.372 0.257 1.302 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.785 -0.823 1.350 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.403 -1.212 0.299 1.00 0.00 H new ATOM 1041 N SER B 123 6.078 -6.196 3.032 1.00 0.00 N ATOM 1042 CA SER B 123 5.894 -7.629 2.761 1.00 0.00 C ATOM 1043 C SER B 123 5.239 -8.413 3.918 1.00 0.00 C ATOM 1044 O SER B 123 4.611 -9.448 3.678 1.00 0.00 O ATOM 1045 CB SER B 123 7.257 -8.239 2.408 1.00 0.00 C ATOM 1046 OG SER B 123 7.119 -9.558 1.891 1.00 0.00 O ATOM 0 H SER B 123 7.056 -5.908 3.050 1.00 0.00 H new ATOM 0 HA SER B 123 5.196 -7.711 1.927 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.759 -7.610 1.673 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.889 -8.259 3.296 1.00 0.00 H new ATOM 0 HG SER B 123 8.004 -9.919 1.674 1.00 0.00 H new ATOM 1052 N ARG B 124 5.344 -7.935 5.167 1.00 0.00 N ATOM 1053 CA ARG B 124 4.894 -8.667 6.378 1.00 0.00 C ATOM 1054 C ARG B 124 3.379 -8.668 6.588 1.00 0.00 C ATOM 1055 O ARG B 124 2.850 -9.544 7.278 1.00 0.00 O ATOM 1056 CB ARG B 124 5.562 -8.072 7.634 1.00 0.00 C ATOM 1057 CG ARG B 124 7.075 -7.819 7.521 1.00 0.00 C ATOM 1058 CD ARG B 124 7.865 -9.029 7.020 1.00 0.00 C ATOM 1059 NE ARG B 124 9.288 -8.671 6.854 1.00 0.00 N ATOM 1060 CZ ARG B 124 10.345 -9.143 7.491 1.00 0.00 C ATOM 1061 NH1 ARG B 124 10.261 -10.060 8.414 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 11.525 -8.682 7.207 1.00 0.00 N ATOM 0 H ARG B 124 5.747 -7.021 5.375 1.00 0.00 H new ATOM 0 HA ARG B 124 5.194 -9.703 6.217 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.070 -7.129 7.874 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.385 -8.746 8.472 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.245 -6.980 6.846 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.459 -7.524 8.498 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.769 -9.854 7.726 1.00 0.00 H new ATOM 0 HD3 ARG B 124 7.455 -9.373 6.070 1.00 0.00 H new ATOM 0 HE ARG B 124 9.482 -7.960 6.149 1.00 0.00 H new ATOM 0 HH11 ARG B 124 9.351 -10.443 8.671 1.00 0.00 H new ATOM 0 HH12 ARG B 124 11.105 -10.394 8.879 1.00 0.00 H new ATOM 0 HH21 ARG B 124 11.632 -7.959 6.495 1.00 0.00 H new ATOM 0 HH22 ARG B 124 12.345 -9.043 7.696 1.00 0.00 H new ATOM 1076 N LEU B 125 2.686 -7.690 6.006 1.00 0.00 N ATOM 1077 CA LEU B 125 1.239 -7.480 6.161 1.00 0.00 C ATOM 1078 C LEU B 125 0.396 -8.512 5.389 1.00 0.00 C ATOM 1079 O LEU B 125 0.737 -8.911 4.270 1.00 0.00 O ATOM 1080 CB LEU B 125 0.855 -6.041 5.747 1.00 0.00 C ATOM 1081 CG LEU B 125 1.280 -4.864 6.655 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.169 -5.157 8.151 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.698 -4.379 6.372 1.00 0.00 C ATOM 0 H LEU B 125 3.124 -7.000 5.396 1.00 0.00 H new ATOM 0 HA LEU B 125 1.012 -7.622 7.217 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.273 -5.861 4.756 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.230 -6.005 5.647 1.00 0.00 H new ATOM 0 HG LEU B 125 0.564 -4.083 6.402 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.486 -4.281 8.718 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.135 -5.396 8.399 1.00 0.00 H new ATOM 0 HD13 LEU B 125 1.807 -6.003 8.404 1.00 0.00 H new ATOM 0 HD21 LEU B 125 2.940 -3.552 7.040 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.401 -5.195 6.536 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.768 -4.042 5.338 1.00 0.00 H new ATOM 1095 N SER B 126 -0.747 -8.888 5.970 1.00 0.00 N ATOM 1096 CA SER B 126 -1.837 -9.639 5.319 1.00 0.00 C ATOM 1097 C SER B 126 -2.637 -8.766 4.333 1.00 0.00 C ATOM 1098 O SER B 126 -2.518 -7.539 4.348 1.00 0.00 O ATOM 1099 CB SER B 126 -2.784 -10.225 6.376 1.00 0.00 C ATOM 1100 OG SER B 126 -2.085 -11.106 7.244 1.00 0.00 O ATOM 0 H SER B 126 -0.951 -8.671 6.946 1.00 0.00 H new ATOM 0 HA SER B 126 -1.375 -10.446 4.750 1.00 0.00 H new ATOM 0 HB2 SER B 126 -3.235 -9.419 6.954 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.598 -10.759 5.886 1.00 0.00 H new ATOM 0 HG SER B 126 -2.705 -11.468 7.911 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.481 -9.379 3.488 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.187 -8.722 2.372 1.00 0.00 C ATOM 1108 C LYS B 127 -4.986 -7.476 2.773 1.00 0.00 C ATOM 1109 O LYS B 127 -4.904 -6.445 2.112 1.00 0.00 O ATOM 1110 CB LYS B 127 -5.118 -9.744 1.683 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.481 -9.351 0.237 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.341 -9.590 -0.768 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.568 -8.912 -2.125 1.00 0.00 C ATOM 1114 NZ LYS B 127 -5.792 -9.377 -2.820 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.698 -10.373 3.563 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.415 -8.370 1.688 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.635 -10.721 1.677 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -6.033 -9.844 2.267 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.357 -9.919 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.760 -8.298 0.214 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.408 -9.224 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -4.222 -10.663 -0.922 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -4.631 -7.834 -1.978 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -3.704 -9.097 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -5.941 -8.809 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -5.684 -10.378 -3.081 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -6.611 -9.270 -2.189 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.737 -7.560 3.862 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.534 -6.453 4.394 1.00 0.00 C ATOM 1130 C ASN B 128 -5.667 -5.361 5.062 1.00 0.00 C ATOM 1131 O ASN B 128 -5.988 -4.174 4.987 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.551 -7.059 5.376 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.635 -7.864 4.670 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -8.477 -9.044 4.390 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -9.755 -7.253 4.338 1.00 0.00 N ATOM 0 H ASN B 128 -5.814 -8.414 4.414 1.00 0.00 H new ATOM 0 HA ASN B 128 -7.046 -5.941 3.579 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -7.029 -7.702 6.084 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -8.015 -6.259 5.953 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -10.489 -7.764 3.848 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -9.888 -6.269 4.571 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.549 -5.749 5.680 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.614 -4.843 6.361 1.00 0.00 C ATOM 1144 C GLN B 129 -2.773 -4.021 5.374 1.00 0.00 C ATOM 1145 O GLN B 129 -2.580 -2.822 5.580 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.691 -5.668 7.277 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.423 -6.410 8.409 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.517 -7.392 9.162 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.443 -7.785 8.711 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.918 -7.843 10.331 1.00 0.00 N ATOM 0 H GLN B 129 -4.259 -6.726 5.723 1.00 0.00 H new ATOM 0 HA GLN B 129 -4.200 -4.135 6.948 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -2.152 -6.396 6.670 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.946 -5.004 7.716 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.826 -5.682 9.113 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -4.271 -6.953 7.992 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.806 -7.528 10.722 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -2.341 -8.507 10.847 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.295 -4.622 4.272 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.533 -3.915 3.233 1.00 0.00 C ATOM 1161 C LEU B 130 -2.388 -2.896 2.460 1.00 0.00 C ATOM 1162 O LEU B 130 -1.868 -1.854 2.048 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.792 -4.917 2.324 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.635 -5.909 1.501 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.171 -5.343 0.181 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.806 -7.158 1.186 1.00 0.00 C ATOM 0 H LEU B 130 -2.427 -5.614 4.077 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.770 -3.313 3.727 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.177 -4.345 1.629 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.112 -5.496 2.950 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.499 -6.141 2.124 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.753 -6.108 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.806 -4.481 0.386 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.336 -5.037 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.407 -7.856 0.604 1.00 0.00 H new ATOM 0 HD22 LEU B 130 0.077 -6.874 0.613 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.497 -7.634 2.117 1.00 0.00 H new ATOM 1178 N MET B 131 -3.703 -3.124 2.331 1.00 0.00 N ATOM 1179 CA MET B 131 -4.629 -2.104 1.822 1.00 0.00 C ATOM 1180 C MET B 131 -4.751 -0.931 2.802 1.00 0.00 C ATOM 1181 O MET B 131 -4.623 0.221 2.396 1.00 0.00 O ATOM 1182 CB MET B 131 -6.026 -2.674 1.560 1.00 0.00 C ATOM 1183 CG MET B 131 -6.099 -3.710 0.439 1.00 0.00 C ATOM 1184 SD MET B 131 -7.794 -4.297 0.169 1.00 0.00 S ATOM 1185 CE MET B 131 -7.533 -6.080 0.087 1.00 0.00 C ATOM 0 H MET B 131 -4.149 -4.009 2.573 1.00 0.00 H new ATOM 0 HA MET B 131 -4.210 -1.754 0.878 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.395 -3.128 2.479 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.699 -1.851 1.319 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.715 -3.274 -0.483 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.457 -4.556 0.684 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.448 -6.567 -0.251 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.727 -6.298 -0.613 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.266 -6.455 1.075 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.945 -1.216 4.091 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.057 -0.195 5.135 1.00 0.00 C ATOM 1197 C ALA B 132 -3.783 0.663 5.268 1.00 0.00 C ATOM 1198 O ALA B 132 -3.884 1.873 5.471 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.413 -0.883 6.457 1.00 0.00 C ATOM 0 H ALA B 132 -5.030 -2.170 4.443 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.848 0.501 4.856 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.500 -0.135 7.245 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.362 -1.409 6.350 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.631 -1.596 6.718 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.592 0.076 5.098 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.311 0.789 5.075 1.00 0.00 C ATOM 1207 C LEU B 133 -1.238 1.775 3.898 1.00 0.00 C ATOM 1208 O LEU B 133 -0.982 2.962 4.101 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.174 -0.255 5.074 1.00 0.00 C ATOM 1210 CG LEU B 133 1.285 0.253 5.145 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.799 0.868 3.842 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.516 1.246 6.291 1.00 0.00 C ATOM 0 H LEU B 133 -2.491 -0.931 4.970 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.205 1.408 5.966 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.335 -0.924 5.920 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.274 -0.855 4.170 1.00 0.00 H new ATOM 0 HG LEU B 133 1.860 -0.654 5.334 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.829 1.199 3.977 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.758 0.123 3.047 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.177 1.721 3.572 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.558 1.567 6.290 1.00 0.00 H new ATOM 0 HD22 LEU B 133 0.869 2.113 6.157 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.286 0.765 7.241 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.506 1.314 2.670 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.512 2.177 1.485 1.00 0.00 C ATOM 1226 C ALA B 134 -2.596 3.274 1.570 1.00 0.00 C ATOM 1227 O ALA B 134 -2.340 4.423 1.204 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.671 1.292 0.244 1.00 0.00 C ATOM 0 H ALA B 134 -1.724 0.337 2.472 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.566 2.715 1.422 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.678 1.916 -0.650 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.840 0.589 0.189 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.609 0.740 0.308 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.774 2.967 2.123 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.856 3.927 2.362 1.00 0.00 C ATOM 1236 C LEU B 135 -4.439 4.997 3.392 1.00 0.00 C ATOM 1237 O LEU B 135 -4.617 6.192 3.149 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.110 3.131 2.771 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.475 3.847 2.769 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.607 4.989 3.775 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.820 4.370 1.375 1.00 0.00 C ATOM 0 H LEU B 135 -4.007 2.021 2.424 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.085 4.489 1.456 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.187 2.271 2.106 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -5.942 2.743 3.776 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.181 3.077 3.080 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.601 5.429 3.697 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.458 4.604 4.784 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.856 5.750 3.563 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.788 4.870 1.403 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.056 5.077 1.052 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.863 3.536 0.674 1.00 0.00 H new ATOM 1253 N LYS B 136 -3.810 4.591 4.508 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.242 5.485 5.536 1.00 0.00 C ATOM 1255 C LYS B 136 -2.175 6.428 4.963 1.00 0.00 C ATOM 1256 O LYS B 136 -2.161 7.613 5.306 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.703 4.626 6.692 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.124 5.450 7.854 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.734 4.526 9.014 1.00 0.00 C ATOM 1260 CE LYS B 136 -1.116 5.348 10.153 1.00 0.00 C ATOM 1261 NZ LYS B 136 -0.793 4.506 11.335 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.678 3.604 4.728 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.028 6.139 5.914 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.507 3.995 7.070 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -1.929 3.960 6.309 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.251 6.008 7.515 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -2.858 6.181 8.193 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -2.612 3.991 9.375 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -1.023 3.775 8.669 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -0.209 5.836 9.797 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -1.808 6.137 10.448 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -0.378 5.100 12.081 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -1.662 4.060 11.691 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -0.113 3.769 11.061 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.319 5.951 4.062 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.381 6.792 3.307 1.00 0.00 C ATOM 1277 C LEU B 137 -1.111 7.768 2.371 1.00 0.00 C ATOM 1278 O LEU B 137 -0.739 8.939 2.309 1.00 0.00 O ATOM 1279 CB LEU B 137 0.577 5.883 2.508 1.00 0.00 C ATOM 1280 CG LEU B 137 1.948 5.641 3.157 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.889 5.130 4.599 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.700 4.616 2.307 1.00 0.00 C ATOM 0 H LEU B 137 -1.253 4.960 3.830 1.00 0.00 H new ATOM 0 HA LEU B 137 0.187 7.398 4.013 1.00 0.00 H new ATOM 0 HB2 LEU B 137 0.092 4.919 2.353 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.732 6.324 1.523 1.00 0.00 H new ATOM 0 HG LEU B 137 2.450 6.608 3.199 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.902 4.987 4.976 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.369 5.858 5.222 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.354 4.180 4.627 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.679 4.426 2.747 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.132 3.686 2.271 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.826 5.004 1.296 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.160 7.319 1.671 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.898 8.142 0.703 1.00 0.00 C ATOM 1296 C LYS B 138 -3.692 9.273 1.359 1.00 0.00 C ATOM 1297 O LYS B 138 -3.590 10.412 0.911 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.798 7.258 -0.183 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.350 7.998 -1.418 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.239 8.480 -2.370 1.00 0.00 C ATOM 1301 CE LYS B 138 -3.806 9.099 -3.646 1.00 0.00 C ATOM 1302 NZ LYS B 138 -2.718 9.618 -4.518 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.523 6.370 1.760 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.156 8.629 0.070 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.230 6.388 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.632 6.887 0.413 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.026 7.337 -1.960 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -4.938 8.855 -1.090 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.616 9.213 -1.858 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.595 7.640 -2.630 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.387 8.353 -4.189 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.488 9.909 -3.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.120 10.262 -5.229 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.024 10.132 -3.939 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.248 8.823 -4.997 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.423 9.001 2.441 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.187 10.044 3.144 1.00 0.00 C ATOM 1318 C GLN B 139 -4.266 11.115 3.761 1.00 0.00 C ATOM 1319 O GLN B 139 -4.631 12.289 3.774 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.160 9.432 4.165 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.494 8.778 5.385 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.506 8.331 6.437 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -6.636 8.920 7.500 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.270 7.287 6.186 1.00 0.00 N ATOM 0 H GLN B 139 -4.505 8.071 2.852 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.797 10.563 2.405 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.836 10.213 4.514 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.771 8.684 3.659 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -4.911 7.917 5.058 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.796 9.484 5.835 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -7.174 6.785 5.303 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.958 6.981 6.874 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.051 10.756 4.203 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.071 11.720 4.726 1.00 0.00 C ATOM 1335 C GLN B 140 -1.598 12.738 3.675 1.00 0.00 C ATOM 1336 O GLN B 140 -1.546 13.933 3.968 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.866 10.966 5.313 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.139 10.501 6.754 1.00 0.00 C ATOM 1339 CD GLN B 140 0.017 9.659 7.283 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.811 10.077 8.116 1.00 0.00 O ATOM 1341 NE2 GLN B 140 0.180 8.453 6.778 1.00 0.00 N ATOM 0 H GLN B 140 -2.721 9.791 4.208 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.574 12.293 5.505 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.636 10.103 4.688 1.00 0.00 H new ATOM 0 HB3 GLN B 140 0.011 11.613 5.298 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.287 11.368 7.398 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.061 9.920 6.784 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -0.477 8.098 6.084 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.963 7.875 7.081 1.00 0.00 H new ATOM 1350 N GLN B 141 -1.275 12.299 2.452 1.00 0.00 N ATOM 1351 CA GLN B 141 -0.889 13.216 1.364 1.00 0.00 C ATOM 1352 C GLN B 141 -2.076 14.037 0.798 1.00 0.00 C ATOM 1353 O GLN B 141 -1.867 15.142 0.288 1.00 0.00 O ATOM 1354 CB GLN B 141 -0.119 12.463 0.260 1.00 0.00 C ATOM 1355 CG GLN B 141 -0.924 11.376 -0.467 1.00 0.00 C ATOM 1356 CD GLN B 141 -0.273 10.901 -1.761 1.00 0.00 C ATOM 1357 OE1 GLN B 141 -0.839 11.007 -2.842 1.00 0.00 O ATOM 1358 NE2 GLN B 141 0.928 10.364 -1.727 1.00 0.00 N ATOM 0 H GLN B 141 -1.272 11.314 2.188 1.00 0.00 H new ATOM 0 HA GLN B 141 -0.217 13.955 1.800 1.00 0.00 H new ATOM 0 HB2 GLN B 141 0.232 13.187 -0.475 1.00 0.00 H new ATOM 0 HB3 GLN B 141 0.765 12.004 0.703 1.00 0.00 H new ATOM 0 HG2 GLN B 141 -1.053 10.523 0.200 1.00 0.00 H new ATOM 0 HG3 GLN B 141 -1.919 11.760 -0.690 1.00 0.00 H new ATOM 0 HE21 GLN B 141 1.418 10.266 -0.838 1.00 0.00 H new ATOM 0 HE22 GLN B 141 1.369 10.046 -2.590 1.00 0.00 H new ATOM 1367 N LEU B 142 -3.314 13.543 0.925 1.00 0.00 N ATOM 1368 CA LEU B 142 -4.529 14.278 0.543 1.00 0.00 C ATOM 1369 C LEU B 142 -4.930 15.348 1.574 1.00 0.00 C ATOM 1370 O LEU B 142 -5.340 16.446 1.190 1.00 0.00 O ATOM 1371 CB LEU B 142 -5.678 13.271 0.318 1.00 0.00 C ATOM 1372 CG LEU B 142 -5.903 12.864 -1.151 1.00 0.00 C ATOM 1373 CD1 LEU B 142 -4.673 12.277 -1.849 1.00 0.00 C ATOM 1374 CD2 LEU B 142 -7.019 11.825 -1.222 1.00 0.00 C ATOM 0 H LEU B 142 -3.503 12.613 1.299 1.00 0.00 H new ATOM 0 HA LEU B 142 -4.319 14.816 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -5.475 12.373 0.902 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -6.601 13.702 0.706 1.00 0.00 H new ATOM 0 HG LEU B 142 -6.155 13.788 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU B 142 -4.926 12.020 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU B 142 -3.868 13.012 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -4.348 11.381 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU B 142 -7.181 11.535 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU B 142 -6.737 10.948 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU B 142 -7.938 12.249 -0.817 1.00 0.00 H new ATOM 1386 N GLU B 143 -4.834 15.058 2.876 1.00 0.00 N ATOM 1387 CA GLU B 143 -5.273 15.960 3.958 1.00 0.00 C ATOM 1388 C GLU B 143 -4.262 17.077 4.302 1.00 0.00 C ATOM 1389 O GLU B 143 -4.669 18.152 4.749 1.00 0.00 O ATOM 1390 CB GLU B 143 -5.586 15.133 5.223 1.00 0.00 C ATOM 1391 CG GLU B 143 -6.870 14.299 5.114 1.00 0.00 C ATOM 1392 CD GLU B 143 -8.148 15.152 4.986 1.00 0.00 C ATOM 1393 OE1 GLU B 143 -9.070 14.754 4.231 1.00 0.00 O ATOM 1394 OE2 GLU B 143 -8.266 16.210 5.656 1.00 0.00 O1- ATOM 0 H GLU B 143 -4.445 14.179 3.217 1.00 0.00 H new ATOM 0 HA GLU B 143 -6.166 16.466 3.590 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -4.747 14.467 5.428 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -5.673 15.808 6.075 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -6.794 13.641 4.249 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -6.955 13.661 5.994 1.00 0.00 H new ATOM 1401 N GLN B 144 -2.953 16.859 4.100 1.00 0.00 N ATOM 1402 CA GLN B 144 -1.910 17.862 4.377 1.00 0.00 C ATOM 1403 C GLN B 144 -1.919 19.046 3.389 1.00 0.00 C ATOM 1404 O GLN B 144 -2.381 18.927 2.245 1.00 0.00 O ATOM 1405 CB GLN B 144 -0.529 17.189 4.477 1.00 0.00 C ATOM 1406 CG GLN B 144 0.087 16.761 3.135 1.00 0.00 C ATOM 1407 CD GLN B 144 1.364 15.939 3.319 1.00 0.00 C ATOM 1408 OE1 GLN B 144 2.463 16.345 2.966 1.00 0.00 O ATOM 1409 NE2 GLN B 144 1.271 14.762 3.903 1.00 0.00 N ATOM 0 H GLN B 144 -2.586 15.979 3.738 1.00 0.00 H new ATOM 0 HA GLN B 144 -2.142 18.306 5.345 1.00 0.00 H new ATOM 0 HB2 GLN B 144 0.158 17.876 4.972 1.00 0.00 H new ATOM 0 HB3 GLN B 144 -0.616 16.310 5.116 1.00 0.00 H new ATOM 0 HG2 GLN B 144 -0.641 16.176 2.573 1.00 0.00 H new ATOM 0 HG3 GLN B 144 0.310 17.647 2.541 1.00 0.00 H new ATOM 0 HE21 GLN B 144 0.361 14.412 4.202 1.00 0.00 H new ATOM 0 HE22 GLN B 144 2.109 14.201 4.056 1.00 0.00 H new ATOM 1418 N GLY B 145 -1.374 20.196 3.818 1.00 0.00 N ATOM 1419 CA GLY B 145 -1.276 21.431 3.026 1.00 0.00 C ATOM 1420 C GLY B 145 -0.531 22.538 3.765 1.00 0.00 C ATOM 1421 O GLY B 145 0.701 22.655 3.572 1.00 0.00 O ATOM 1422 OXT GLY B 145 -1.184 23.262 4.551 1.00 0.00 O1- ATOM 0 H GLY B 145 -0.978 20.294 4.753 1.00 0.00 H new ATOM 0 HA2 GLY B 145 -0.766 21.218 2.087 1.00 0.00 H new ATOM 0 HA3 GLY B 145 -2.278 21.777 2.773 1.00 0.00 H new TER 1426 GLY B 145