USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=29 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 38 LYS NZ :NH3+ -164:sc= 0.985 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 1.93 K(o=5.4,f=-0.77) USER MOD Set 1.3: B 104 SER OG : rot -140:sc= 0.698 USER MOD Set 1.4: B 140 GLN : amide:sc= 1.75 K(o=5.4,f=-0.77) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.85 K(o=3.6,f=-1.4) USER MOD Set 2.2: B 138 LYS NZ :NH3+ -159:sc= 0.961 (180deg=0) USER MOD Set 2.3: B 141 GLN : amide:sc= 1.83 K(o=3.6,f=-1.4) USER MOD Set 3.1: A 27 LYS NZ :NH3+ -176:sc= 0.848 (180deg=0.833) USER MOD Set 3.2: B 123 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 15 LYS NZ :NH3+ 151:sc= 1.32 (180deg=1.16) USER MOD Set 4.2: B 139 GLN : amide:sc= 0.166 K(o=1.5,f=0.95) USER MOD Set 5.1: A 7 LYS NZ :NH3+ -155:sc= 1.67 (180deg=0.469) USER MOD Set 5.2: A 11 SER OG : rot 180:sc= 0.902 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0536 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00121 USER MOD Single : A 5 MET CE :methyl 172:sc= 0 (180deg=-0.069) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.055) 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 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.507 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.00298 USER MOD Single : A 28 ASN : amide:sc= 0.137 K(o=0.14,f=-3.1!) USER MOD Single : A 29 GLN : amide:sc= 0.645 K(o=0.64,f=-4.2!) USER MOD Single : A 31 MET CE :methyl 177:sc= -0.0401 (180deg=-0.0615) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0877 X(o=-0.088,f=0) USER MOD Single : A 44 GLN : amide:sc= 0.834 K(o=0.83,f=0) USER MOD Single : B 105 MET CE :methyl 172:sc= 0 (180deg=-0.0501) USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 107 LYS NZ :NH3+ 165:sc= 2.01 (180deg=1.77) USER MOD Single : B 109 THR OG1 : rot 180:sc= 0 USER MOD Single : B 110 SER OG : rot -39:sc= 0.112 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 TYR OH : rot -44:sc= 0.00686 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc=-0.00946 USER MOD Single : B 127 LYS NZ :NH3+ -172:sc= 0.697 (180deg=0.661) USER MOD Single : B 128 ASN : amide:sc= 0.0761 K(o=0.076,f=-2.9!) USER MOD Single : B 129 GLN : amide:sc= 0.626 K(o=0.63,f=-4.1!) USER MOD Single : B 131 MET CE :methyl -166:sc= -0.101 (180deg=-0.184) USER MOD Single : B 136 LYS NZ :NH3+ 159:sc= 1.06 (180deg=0.736) USER MOD Single : B 144 GLN : amide:sc= 0 K(o=0,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.571 8.064 -7.421 1.00 0.00 N ATOM 2 CA GLY A 1 -21.314 9.241 -6.558 1.00 0.00 C ATOM 3 C GLY A 1 -22.600 10.006 -6.260 1.00 0.00 C ATOM 4 O GLY A 1 -23.680 9.396 -6.259 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.114 7.225 -7.010 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.596 7.901 -7.490 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.184 8.239 -8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.858 8.916 -5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.600 9.904 -7.047 1.00 0.00 H new ATOM 10 N PRO A 2 -22.528 11.327 -5.998 1.00 0.00 N ATOM 11 CA PRO A 2 -23.689 12.170 -5.693 1.00 0.00 C ATOM 12 C PRO A 2 -24.751 12.207 -6.803 1.00 0.00 C ATOM 13 O PRO A 2 -24.452 12.003 -7.983 1.00 0.00 O ATOM 14 CB PRO A 2 -23.128 13.570 -5.420 1.00 0.00 C ATOM 15 CG PRO A 2 -21.697 13.293 -4.961 1.00 0.00 C ATOM 16 CD PRO A 2 -21.301 12.094 -5.824 1.00 0.00 C ATOM 0 HA PRO A 2 -24.221 11.757 -4.836 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -23.150 14.193 -6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -23.702 14.091 -4.654 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -21.043 14.149 -5.130 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -21.649 13.061 -3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -20.898 12.416 -6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -20.529 11.497 -5.338 1.00 0.00 H new ATOM 24 N GLY A 3 -26.000 12.493 -6.423 1.00 0.00 N ATOM 25 CA GLY A 3 -27.140 12.668 -7.337 1.00 0.00 C ATOM 26 C GLY A 3 -27.219 14.072 -7.953 1.00 0.00 C ATOM 27 O GLY A 3 -26.200 14.717 -8.214 1.00 0.00 O ATOM 0 H GLY A 3 -26.256 12.613 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -27.070 11.932 -8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -28.064 12.464 -6.796 1.00 0.00 H new ATOM 31 N SER A 4 -28.440 14.579 -8.141 1.00 0.00 N ATOM 32 CA SER A 4 -28.768 15.932 -8.646 1.00 0.00 C ATOM 33 C SER A 4 -28.537 17.065 -7.611 1.00 0.00 C ATOM 34 O SER A 4 -29.214 18.100 -7.632 1.00 0.00 O ATOM 35 CB SER A 4 -30.208 15.919 -9.188 1.00 0.00 C ATOM 36 OG SER A 4 -31.129 15.511 -8.183 1.00 0.00 O ATOM 0 H SER A 4 -29.278 14.034 -7.937 1.00 0.00 H new ATOM 0 HA SER A 4 -28.073 16.168 -9.452 1.00 0.00 H new ATOM 0 HB2 SER A 4 -30.474 16.913 -9.547 1.00 0.00 H new ATOM 0 HB3 SER A 4 -30.273 15.244 -10.041 1.00 0.00 H new ATOM 0 HG SER A 4 -32.037 15.513 -8.551 1.00 0.00 H new ATOM 42 N MET A 5 -27.587 16.879 -6.684 1.00 0.00 N ATOM 43 CA MET A 5 -27.294 17.748 -5.538 1.00 0.00 C ATOM 44 C MET A 5 -25.802 17.702 -5.149 1.00 0.00 C ATOM 45 O MET A 5 -25.077 16.779 -5.526 1.00 0.00 O ATOM 46 CB MET A 5 -28.191 17.352 -4.349 1.00 0.00 C ATOM 47 CG MET A 5 -27.907 15.942 -3.801 1.00 0.00 C ATOM 48 SD MET A 5 -28.989 15.420 -2.433 1.00 0.00 S ATOM 49 CE MET A 5 -30.549 15.174 -3.327 1.00 0.00 C ATOM 0 H MET A 5 -26.967 16.070 -6.717 1.00 0.00 H new ATOM 0 HA MET A 5 -27.511 18.778 -5.823 1.00 0.00 H new ATOM 0 HB2 MET A 5 -28.057 18.078 -3.547 1.00 0.00 H new ATOM 0 HB3 MET A 5 -29.235 17.408 -4.658 1.00 0.00 H new ATOM 0 HG2 MET A 5 -28.004 15.225 -4.616 1.00 0.00 H new ATOM 0 HG3 MET A 5 -26.872 15.901 -3.462 1.00 0.00 H new ATOM 0 HE1 MET A 5 -31.281 14.717 -2.662 1.00 0.00 H new ATOM 0 HE2 MET A 5 -30.925 16.136 -3.674 1.00 0.00 H new ATOM 0 HE3 MET A 5 -30.379 14.521 -4.183 1.00 0.00 H new ATOM 59 N ASN A 6 -25.347 18.689 -4.370 1.00 0.00 N ATOM 60 CA ASN A 6 -23.981 18.747 -3.834 1.00 0.00 C ATOM 61 C ASN A 6 -23.677 17.586 -2.866 1.00 0.00 C ATOM 62 O ASN A 6 -24.572 17.062 -2.192 1.00 0.00 O ATOM 63 CB ASN A 6 -23.737 20.112 -3.163 1.00 0.00 C ATOM 64 CG ASN A 6 -23.888 21.284 -4.122 1.00 0.00 C ATOM 65 OD1 ASN A 6 -24.979 21.778 -4.372 1.00 0.00 O ATOM 66 ND2 ASN A 6 -22.803 21.756 -4.697 1.00 0.00 N ATOM 0 H ASN A 6 -25.925 19.482 -4.090 1.00 0.00 H new ATOM 0 HA ASN A 6 -23.292 18.635 -4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -24.437 20.234 -2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -22.734 20.126 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -22.871 22.535 -5.352 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -21.894 21.343 -4.488 1.00 0.00 H new ATOM 73 N LYS A 7 -22.398 17.209 -2.775 1.00 0.00 N ATOM 74 CA LYS A 7 -21.903 16.138 -1.896 1.00 0.00 C ATOM 75 C LYS A 7 -22.153 16.465 -0.402 1.00 0.00 C ATOM 76 O LYS A 7 -21.827 17.581 0.021 1.00 0.00 O ATOM 77 CB LYS A 7 -20.401 15.955 -2.177 1.00 0.00 C ATOM 78 CG LYS A 7 -19.793 14.728 -1.467 1.00 0.00 C ATOM 79 CD LYS A 7 -18.258 14.675 -1.545 1.00 0.00 C ATOM 80 CE LYS A 7 -17.549 15.923 -0.990 1.00 0.00 C ATOM 81 NZ LYS A 7 -17.808 16.156 0.454 1.00 0.00 N1+ ATOM 0 H LYS A 7 -21.658 17.649 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 7 -22.442 15.214 -2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -20.249 15.857 -3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -19.867 16.851 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -20.096 14.736 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -20.203 13.821 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.909 13.800 -0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -17.964 14.538 -2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.475 15.822 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -17.873 16.797 -1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.686 17.166 0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -18.781 15.868 0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -17.139 15.597 1.021 1.00 0.00 H new ATOM 95 N PRO A 8 -22.652 15.513 0.417 1.00 0.00 N ATOM 96 CA PRO A 8 -22.699 15.631 1.881 1.00 0.00 C ATOM 97 C PRO A 8 -21.311 15.758 2.540 1.00 0.00 C ATOM 98 O PRO A 8 -20.269 15.669 1.883 1.00 0.00 O ATOM 99 CB PRO A 8 -23.421 14.368 2.363 1.00 0.00 C ATOM 100 CG PRO A 8 -24.249 13.927 1.165 1.00 0.00 C ATOM 101 CD PRO A 8 -23.330 14.294 0.002 1.00 0.00 C ATOM 0 HA PRO A 8 -23.214 16.549 2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -22.713 13.595 2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -24.052 14.576 3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -24.470 12.860 1.191 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -25.204 14.450 1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -22.615 13.496 -0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -23.899 14.453 -0.914 1.00 0.00 H new ATOM 109 N THR A 9 -21.284 15.915 3.865 1.00 0.00 N ATOM 110 CA THR A 9 -20.044 15.899 4.676 1.00 0.00 C ATOM 111 C THR A 9 -19.380 14.514 4.768 1.00 0.00 C ATOM 112 O THR A 9 -18.231 14.406 5.198 1.00 0.00 O ATOM 113 CB THR A 9 -20.306 16.457 6.091 1.00 0.00 C ATOM 114 OG1 THR A 9 -21.351 15.751 6.737 1.00 0.00 O ATOM 115 CG2 THR A 9 -20.709 17.933 6.032 1.00 0.00 C ATOM 0 H THR A 9 -22.127 16.059 4.421 1.00 0.00 H new ATOM 0 HA THR A 9 -19.340 16.545 4.151 1.00 0.00 H new ATOM 0 HB THR A 9 -19.377 16.341 6.649 1.00 0.00 H new ATOM 0 HG1 THR A 9 -21.494 16.125 7.632 1.00 0.00 H new ATOM 0 HG21 THR A 9 -20.888 18.302 7.042 1.00 0.00 H new ATOM 0 HG22 THR A 9 -19.908 18.511 5.571 1.00 0.00 H new ATOM 0 HG23 THR A 9 -21.619 18.038 5.441 1.00 0.00 H new ATOM 123 N SER A 10 -20.078 13.452 4.345 1.00 0.00 N ATOM 124 CA SER A 10 -19.612 12.056 4.252 1.00 0.00 C ATOM 125 C SER A 10 -18.609 11.826 3.101 1.00 0.00 C ATOM 126 O SER A 10 -18.841 11.018 2.195 1.00 0.00 O ATOM 127 CB SER A 10 -20.831 11.118 4.126 1.00 0.00 C ATOM 128 OG SER A 10 -21.789 11.354 5.151 1.00 0.00 O ATOM 0 H SER A 10 -21.046 13.548 4.038 1.00 0.00 H new ATOM 0 HA SER A 10 -19.065 11.829 5.167 1.00 0.00 H new ATOM 0 HB2 SER A 10 -21.299 11.260 3.152 1.00 0.00 H new ATOM 0 HB3 SER A 10 -20.498 10.081 4.172 1.00 0.00 H new ATOM 0 HG SER A 10 -22.547 10.743 5.037 1.00 0.00 H new ATOM 134 N SER A 11 -17.495 12.564 3.103 1.00 0.00 N ATOM 135 CA SER A 11 -16.509 12.613 2.009 1.00 0.00 C ATOM 136 C SER A 11 -15.730 11.313 1.787 1.00 0.00 C ATOM 137 O SER A 11 -15.116 11.141 0.736 1.00 0.00 O ATOM 138 CB SER A 11 -15.499 13.741 2.260 1.00 0.00 C ATOM 139 OG SER A 11 -16.166 14.982 2.447 1.00 0.00 O ATOM 0 H SER A 11 -17.243 13.164 3.888 1.00 0.00 H new ATOM 0 HA SER A 11 -17.098 12.787 1.108 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.899 13.509 3.140 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.813 13.815 1.417 1.00 0.00 H new ATOM 0 HG SER A 11 -15.505 15.688 2.607 1.00 0.00 H new ATOM 145 N ASP A 12 -15.732 10.384 2.751 1.00 0.00 N ATOM 146 CA ASP A 12 -14.898 9.167 2.781 1.00 0.00 C ATOM 147 C ASP A 12 -15.213 8.100 1.705 1.00 0.00 C ATOM 148 O ASP A 12 -14.493 7.103 1.613 1.00 0.00 O ATOM 149 CB ASP A 12 -15.007 8.540 4.175 1.00 0.00 C ATOM 150 CG ASP A 12 -14.522 9.482 5.284 1.00 0.00 C ATOM 151 OD1 ASP A 12 -15.364 10.171 5.913 1.00 0.00 O ATOM 152 OD2 ASP A 12 -13.292 9.530 5.525 1.00 0.00 O1- ATOM 0 H ASP A 12 -16.339 10.459 3.567 1.00 0.00 H new ATOM 0 HA ASP A 12 -13.886 9.497 2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.044 8.264 4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.422 7.620 4.203 1.00 0.00 H new ATOM 157 N GLY A 13 -16.245 8.281 0.876 1.00 0.00 N ATOM 158 CA GLY A 13 -16.687 7.294 -0.123 1.00 0.00 C ATOM 159 C GLY A 13 -15.622 6.871 -1.152 1.00 0.00 C ATOM 160 O GLY A 13 -15.702 5.766 -1.694 1.00 0.00 O ATOM 0 H GLY A 13 -16.809 9.131 0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.035 6.404 0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.543 7.704 -0.659 1.00 0.00 H new ATOM 164 N TRP A 14 -14.587 7.689 -1.383 1.00 0.00 N ATOM 165 CA TRP A 14 -13.445 7.354 -2.251 1.00 0.00 C ATOM 166 C TRP A 14 -12.592 6.190 -1.712 1.00 0.00 C ATOM 167 O TRP A 14 -11.963 5.474 -2.495 1.00 0.00 O ATOM 168 CB TRP A 14 -12.576 8.607 -2.450 1.00 0.00 C ATOM 169 CG TRP A 14 -11.744 9.059 -1.279 1.00 0.00 C ATOM 170 CD1 TRP A 14 -12.107 9.975 -0.352 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.408 8.599 -0.871 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.087 10.146 0.563 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.022 9.318 0.298 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.484 7.655 -1.373 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -8.788 9.109 0.940 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.251 7.427 -0.729 1.00 0.00 C ATOM 177 CH2 TRP A 14 -7.902 8.151 0.425 1.00 0.00 C ATOM 0 H TRP A 14 -14.516 8.617 -0.967 1.00 0.00 H new ATOM 0 HA TRP A 14 -13.850 7.016 -3.205 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -11.906 8.424 -3.290 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.230 9.430 -2.738 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -13.053 10.495 -0.331 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.120 10.806 1.340 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.727 7.098 -2.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.526 9.679 1.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.568 6.690 -1.125 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.956 7.970 0.913 1.00 0.00 H new ATOM 188 N LYS A 15 -12.558 5.989 -0.389 1.00 0.00 N ATOM 189 CA LYS A 15 -11.693 4.995 0.279 1.00 0.00 C ATOM 190 C LYS A 15 -12.081 3.554 -0.053 1.00 0.00 C ATOM 191 O LYS A 15 -11.202 2.710 -0.203 1.00 0.00 O ATOM 192 CB LYS A 15 -11.722 5.235 1.799 1.00 0.00 C ATOM 193 CG LYS A 15 -11.103 6.589 2.177 1.00 0.00 C ATOM 194 CD LYS A 15 -11.235 6.858 3.677 1.00 0.00 C ATOM 195 CE LYS A 15 -10.422 8.102 4.051 1.00 0.00 C ATOM 196 NZ LYS A 15 -10.683 8.515 5.456 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.138 6.518 0.262 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.679 5.129 -0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.752 5.195 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.180 4.435 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.051 6.602 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.594 7.385 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.283 7.004 3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.881 5.997 4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.359 7.897 3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.674 8.920 3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.841 8.988 5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.490 9.170 5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.901 7.675 6.030 1.00 0.00 H new ATOM 210 N ASP A 16 -13.373 3.272 -0.223 1.00 0.00 N ATOM 211 CA ASP A 16 -13.876 1.950 -0.635 1.00 0.00 C ATOM 212 C ASP A 16 -13.435 1.585 -2.061 1.00 0.00 C ATOM 213 O ASP A 16 -13.025 0.447 -2.324 1.00 0.00 O ATOM 214 CB ASP A 16 -15.413 1.916 -0.531 1.00 0.00 C ATOM 215 CG ASP A 16 -15.979 2.118 0.891 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.249 1.948 1.898 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.189 2.440 1.008 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.113 3.959 -0.078 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.447 1.209 0.040 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.823 2.689 -1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.766 0.958 -0.913 1.00 0.00 H new ATOM 222 N ASP A 17 -13.446 2.550 -2.985 1.00 0.00 N ATOM 223 CA ASP A 17 -12.929 2.382 -4.351 1.00 0.00 C ATOM 224 C ASP A 17 -11.395 2.218 -4.367 1.00 0.00 C ATOM 225 O ASP A 17 -10.855 1.410 -5.128 1.00 0.00 O ATOM 226 CB ASP A 17 -13.367 3.584 -5.203 1.00 0.00 C ATOM 227 CG ASP A 17 -13.044 3.424 -6.697 1.00 0.00 C ATOM 228 OD1 ASP A 17 -12.702 4.441 -7.346 1.00 0.00 O ATOM 229 OD2 ASP A 17 -13.175 2.302 -7.250 1.00 0.00 O1- ATOM 0 H ASP A 17 -13.818 3.482 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.343 1.467 -4.773 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.440 3.732 -5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.878 4.483 -4.828 1.00 0.00 H new ATOM 234 N TYR A 18 -10.682 2.935 -3.488 1.00 0.00 N ATOM 235 CA TYR A 18 -9.227 2.821 -3.380 1.00 0.00 C ATOM 236 C TYR A 18 -8.804 1.460 -2.797 1.00 0.00 C ATOM 237 O TYR A 18 -7.900 0.823 -3.329 1.00 0.00 O ATOM 238 CB TYR A 18 -8.646 4.005 -2.594 1.00 0.00 C ATOM 239 CG TYR A 18 -7.213 4.318 -2.989 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.960 4.901 -4.253 1.00 0.00 C ATOM 241 CD2 TYR A 18 -6.134 4.015 -2.134 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.641 5.134 -4.679 1.00 0.00 C ATOM 243 CE2 TYR A 18 -4.810 4.253 -2.559 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.559 4.794 -3.836 1.00 0.00 C ATOM 245 OH TYR A 18 -3.280 4.997 -4.253 1.00 0.00 O ATOM 0 H TYR A 18 -11.096 3.604 -2.839 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.807 2.864 -4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.266 4.886 -2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.685 3.783 -1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.786 5.169 -4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.321 3.601 -1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.455 5.572 -5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.985 4.020 -1.903 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.253 5.761 -4.866 1.00 0.00 H new ATOM 255 N LEU A 19 -9.511 0.931 -1.787 1.00 0.00 N ATOM 256 CA LEU A 19 -9.346 -0.457 -1.330 1.00 0.00 C ATOM 257 C LEU A 19 -9.635 -1.454 -2.464 1.00 0.00 C ATOM 258 O LEU A 19 -8.854 -2.385 -2.676 1.00 0.00 O ATOM 259 CB LEU A 19 -10.260 -0.719 -0.113 1.00 0.00 C ATOM 260 CG LEU A 19 -9.523 -0.660 1.233 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.852 0.680 1.518 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.493 -0.953 2.376 1.00 0.00 C ATOM 0 H LEU A 19 -10.213 1.454 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.309 -0.603 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.065 0.015 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.723 -1.700 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.738 -1.413 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.354 0.639 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.117 0.892 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.605 1.468 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.960 -0.909 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.293 -0.212 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.919 -1.948 2.245 1.00 0.00 H new ATOM 274 N SER A 20 -10.710 -1.247 -3.230 1.00 0.00 N ATOM 275 CA SER A 20 -11.068 -2.121 -4.365 1.00 0.00 C ATOM 276 C SER A 20 -9.949 -2.204 -5.408 1.00 0.00 C ATOM 277 O SER A 20 -9.615 -3.307 -5.842 1.00 0.00 O ATOM 278 CB SER A 20 -12.388 -1.673 -5.003 1.00 0.00 C ATOM 279 OG SER A 20 -12.763 -2.564 -6.045 1.00 0.00 O ATOM 0 H SER A 20 -11.359 -0.473 -3.086 1.00 0.00 H new ATOM 0 HA SER A 20 -11.204 -3.127 -3.967 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.172 -1.638 -4.246 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.283 -0.663 -5.400 1.00 0.00 H new ATOM 0 HG SER A 20 -13.608 -2.266 -6.442 1.00 0.00 H new ATOM 285 N ARG A 21 -9.304 -1.081 -5.776 1.00 0.00 N ATOM 286 CA ARG A 21 -8.175 -1.088 -6.731 1.00 0.00 C ATOM 287 C ARG A 21 -6.865 -1.623 -6.134 1.00 0.00 C ATOM 288 O ARG A 21 -6.143 -2.338 -6.827 1.00 0.00 O ATOM 289 CB ARG A 21 -8.016 0.279 -7.428 1.00 0.00 C ATOM 290 CG ARG A 21 -7.200 1.324 -6.654 1.00 0.00 C ATOM 291 CD ARG A 21 -7.177 2.684 -7.362 1.00 0.00 C ATOM 292 NE ARG A 21 -6.477 2.642 -8.666 1.00 0.00 N ATOM 293 CZ ARG A 21 -5.176 2.712 -8.888 1.00 0.00 C ATOM 294 NH1 ARG A 21 -4.310 2.804 -7.917 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -4.716 2.698 -10.104 1.00 0.00 N ATOM 0 H ARG A 21 -9.545 -0.154 -5.426 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.431 -1.810 -7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.544 0.120 -8.398 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.008 0.687 -7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.620 1.444 -5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.179 0.965 -6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.201 3.026 -7.516 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.690 3.416 -6.717 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.069 2.548 -9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.630 2.824 -6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.313 2.856 -8.126 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.360 2.633 -10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.711 2.752 -10.270 1.00 0.00 H new ATOM 309 N LEU A 22 -6.567 -1.341 -4.860 1.00 0.00 N ATOM 310 CA LEU A 22 -5.369 -1.848 -4.154 1.00 0.00 C ATOM 311 C LEU A 22 -5.360 -3.382 -4.032 1.00 0.00 C ATOM 312 O LEU A 22 -4.312 -4.012 -4.181 1.00 0.00 O ATOM 313 CB LEU A 22 -5.282 -1.202 -2.760 1.00 0.00 C ATOM 314 CG LEU A 22 -4.420 0.070 -2.652 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.560 1.086 -3.792 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.768 0.776 -1.337 1.00 0.00 C ATOM 0 H LEU A 22 -7.155 -0.746 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.497 -1.574 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.293 -0.960 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.889 -1.942 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.389 -0.279 -2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.905 1.937 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.282 0.615 -4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.593 1.429 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.168 1.681 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.826 1.040 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.558 0.110 -0.500 1.00 0.00 H new ATOM 328 N SER A 23 -6.530 -3.989 -3.832 1.00 0.00 N ATOM 329 CA SER A 23 -6.710 -5.449 -3.768 1.00 0.00 C ATOM 330 C SER A 23 -6.238 -6.196 -5.031 1.00 0.00 C ATOM 331 O SER A 23 -5.807 -7.346 -4.944 1.00 0.00 O ATOM 332 CB SER A 23 -8.195 -5.739 -3.512 1.00 0.00 C ATOM 333 OG SER A 23 -8.409 -7.121 -3.258 1.00 0.00 O ATOM 0 H SER A 23 -7.401 -3.473 -3.707 1.00 0.00 H new ATOM 0 HA SER A 23 -6.082 -5.819 -2.958 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.542 -5.152 -2.662 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.784 -5.429 -4.376 1.00 0.00 H new ATOM 0 HG SER A 23 -9.362 -7.280 -3.096 1.00 0.00 H new ATOM 339 N ARG A 24 -6.254 -5.552 -6.209 1.00 0.00 N ATOM 340 CA ARG A 24 -5.969 -6.191 -7.517 1.00 0.00 C ATOM 341 C ARG A 24 -4.487 -6.484 -7.753 1.00 0.00 C ATOM 342 O ARG A 24 -4.156 -7.347 -8.567 1.00 0.00 O ATOM 343 CB ARG A 24 -6.483 -5.297 -8.667 1.00 0.00 C ATOM 344 CG ARG A 24 -7.901 -4.730 -8.489 1.00 0.00 C ATOM 345 CD ARG A 24 -8.947 -5.781 -8.130 1.00 0.00 C ATOM 346 NE ARG A 24 -10.253 -5.142 -7.894 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.366 -5.239 -8.594 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.480 -6.006 -9.645 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.410 -4.547 -8.241 1.00 0.00 N ATOM 0 H ARG A 24 -6.468 -4.558 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.489 -7.149 -7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.792 -4.464 -8.791 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.456 -5.874 -9.591 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.882 -3.969 -7.709 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.201 -4.233 -9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.031 -6.510 -8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.635 -6.326 -7.239 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.303 -4.539 -7.073 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.686 -6.564 -9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.363 -6.047 -10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.364 -3.934 -7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.274 -4.618 -8.778 1.00 0.00 H new ATOM 363 N LEU A 25 -3.601 -5.769 -7.058 1.00 0.00 N ATOM 364 CA LEU A 25 -2.144 -5.882 -7.210 1.00 0.00 C ATOM 365 C LEU A 25 -1.573 -7.166 -6.577 1.00 0.00 C ATOM 366 O LEU A 25 -1.992 -7.592 -5.494 1.00 0.00 O ATOM 367 CB LEU A 25 -1.427 -4.638 -6.636 1.00 0.00 C ATOM 368 CG LEU A 25 -1.580 -3.284 -7.361 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.637 -3.403 -8.885 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.808 -2.514 -6.886 1.00 0.00 C ATOM 0 H LEU A 25 -3.879 -5.080 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.953 -5.940 -8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.772 -4.503 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.362 -4.866 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.675 -2.736 -7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.745 -2.411 -9.324 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.718 -3.862 -9.249 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.489 -4.020 -9.170 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.875 -1.568 -7.424 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.704 -3.104 -7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.724 -2.319 -5.817 1.00 0.00 H new ATOM 382 N SER A 26 -0.572 -7.749 -7.240 1.00 0.00 N ATOM 383 CA SER A 26 0.267 -8.838 -6.727 1.00 0.00 C ATOM 384 C SER A 26 1.287 -8.344 -5.682 1.00 0.00 C ATOM 385 O SER A 26 1.486 -7.136 -5.512 1.00 0.00 O ATOM 386 CB SER A 26 0.965 -9.531 -7.906 1.00 0.00 C ATOM 387 OG SER A 26 1.618 -10.725 -7.490 1.00 0.00 O ATOM 0 H SER A 26 -0.312 -7.466 -8.185 1.00 0.00 H new ATOM 0 HA SER A 26 -0.372 -9.555 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.233 -9.765 -8.679 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.692 -8.852 -8.351 1.00 0.00 H new ATOM 0 HG SER A 26 2.052 -11.146 -8.261 1.00 0.00 H new ATOM 393 N LYS A 27 1.962 -9.267 -4.982 1.00 0.00 N ATOM 394 CA LYS A 27 2.841 -9.005 -3.821 1.00 0.00 C ATOM 395 C LYS A 27 3.982 -8.015 -4.113 1.00 0.00 C ATOM 396 O LYS A 27 4.310 -7.198 -3.256 1.00 0.00 O ATOM 397 CB LYS A 27 3.397 -10.351 -3.306 1.00 0.00 C ATOM 398 CG LYS A 27 3.972 -10.297 -1.878 1.00 0.00 C ATOM 399 CD LYS A 27 2.885 -10.212 -0.794 1.00 0.00 C ATOM 400 CE LYS A 27 3.437 -9.931 0.613 1.00 0.00 C ATOM 401 NZ LYS A 27 4.315 -11.021 1.114 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.912 -10.259 -5.215 1.00 0.00 H new ATOM 0 HA LYS A 27 2.235 -8.521 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.601 -11.095 -3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.177 -10.692 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.582 -11.184 -1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.632 -9.434 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.178 -9.426 -1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.328 -11.149 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.998 -8.996 0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.605 -9.793 1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.604 -10.812 2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.797 -11.922 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.159 -11.092 0.511 1.00 0.00 H new ATOM 415 N ASN A 28 4.561 -8.054 -5.313 1.00 0.00 N ATOM 416 CA ASN A 28 5.607 -7.125 -5.754 1.00 0.00 C ATOM 417 C ASN A 28 5.045 -5.791 -6.293 1.00 0.00 C ATOM 418 O ASN A 28 5.700 -4.753 -6.193 1.00 0.00 O ATOM 419 CB ASN A 28 6.486 -7.841 -6.800 1.00 0.00 C ATOM 420 CG ASN A 28 5.779 -8.128 -8.120 1.00 0.00 C ATOM 421 OD1 ASN A 28 4.661 -8.613 -8.162 1.00 0.00 O ATOM 422 ND2 ASN A 28 6.405 -7.831 -9.235 1.00 0.00 N ATOM 0 H ASN A 28 4.313 -8.745 -6.021 1.00 0.00 H new ATOM 0 HA ASN A 28 6.210 -6.847 -4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.366 -7.230 -6.998 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.840 -8.782 -6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.956 -8.006 -10.134 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.340 -7.425 -9.202 1.00 0.00 H new ATOM 429 N GLN A 29 3.831 -5.802 -6.852 1.00 0.00 N ATOM 430 CA GLN A 29 3.156 -4.626 -7.415 1.00 0.00 C ATOM 431 C GLN A 29 2.614 -3.691 -6.322 1.00 0.00 C ATOM 432 O GLN A 29 2.773 -2.472 -6.419 1.00 0.00 O ATOM 433 CB GLN A 29 2.022 -5.084 -8.333 1.00 0.00 C ATOM 434 CG GLN A 29 2.503 -5.827 -9.591 1.00 0.00 C ATOM 435 CD GLN A 29 1.362 -6.487 -10.368 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.261 -6.707 -9.866 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.583 -6.851 -11.614 1.00 0.00 N ATOM 0 H GLN A 29 3.274 -6.653 -6.928 1.00 0.00 H new ATOM 0 HA GLN A 29 3.889 -4.057 -7.986 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.353 -5.736 -7.771 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.439 -4.214 -8.637 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.022 -5.126 -10.244 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.227 -6.589 -9.302 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.491 -6.675 -12.043 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.846 -7.309 -12.150 1.00 0.00 H new ATOM 446 N LEU A 30 2.027 -4.248 -5.254 1.00 0.00 N ATOM 447 CA LEU A 30 1.542 -3.465 -4.101 1.00 0.00 C ATOM 448 C LEU A 30 2.695 -2.770 -3.357 1.00 0.00 C ATOM 449 O LEU A 30 2.512 -1.656 -2.868 1.00 0.00 O ATOM 450 CB LEU A 30 0.663 -4.347 -3.184 1.00 0.00 C ATOM 451 CG LEU A 30 1.362 -5.526 -2.467 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.953 -5.164 -1.095 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.355 -6.662 -2.256 1.00 0.00 C ATOM 0 H LEU A 30 1.874 -5.252 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 30 0.908 -2.658 -4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.215 -3.706 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.154 -4.750 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 30 2.189 -5.819 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.425 -6.044 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.696 -4.376 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.157 -4.815 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.846 -7.494 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.474 -6.305 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.024 -6.996 -3.222 1.00 0.00 H new ATOM 465 N MET A 31 3.893 -3.368 -3.351 1.00 0.00 N ATOM 466 CA MET A 31 5.106 -2.744 -2.809 1.00 0.00 C ATOM 467 C MET A 31 5.521 -1.518 -3.622 1.00 0.00 C ATOM 468 O MET A 31 5.769 -0.464 -3.041 1.00 0.00 O ATOM 469 CB MET A 31 6.267 -3.742 -2.788 1.00 0.00 C ATOM 470 CG MET A 31 6.137 -4.798 -1.697 1.00 0.00 C ATOM 471 SD MET A 31 7.461 -6.034 -1.769 1.00 0.00 S ATOM 472 CE MET A 31 6.731 -7.286 -0.689 1.00 0.00 C ATOM 0 H MET A 31 4.049 -4.304 -3.725 1.00 0.00 H new ATOM 0 HA MET A 31 4.873 -2.429 -1.792 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.329 -4.237 -3.757 1.00 0.00 H new ATOM 0 HB3 MET A 31 7.201 -3.198 -2.648 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.150 -4.312 -0.721 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.173 -5.297 -1.791 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.383 -8.158 -0.651 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.613 -6.877 0.314 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.756 -7.579 -1.079 1.00 0.00 H new ATOM 482 N ALA A 32 5.565 -1.622 -4.955 1.00 0.00 N ATOM 483 CA ALA A 32 5.947 -0.513 -5.831 1.00 0.00 C ATOM 484 C ALA A 32 4.968 0.671 -5.704 1.00 0.00 C ATOM 485 O ALA A 32 5.395 1.827 -5.609 1.00 0.00 O ATOM 486 CB ALA A 32 6.027 -1.029 -7.273 1.00 0.00 C ATOM 0 H ALA A 32 5.336 -2.480 -5.456 1.00 0.00 H new ATOM 0 HA ALA A 32 6.924 -0.135 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.311 -0.212 -7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.772 -1.822 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.055 -1.420 -7.574 1.00 0.00 H new ATOM 492 N LEU A 33 3.661 0.392 -5.642 1.00 0.00 N ATOM 493 CA LEU A 33 2.619 1.401 -5.439 1.00 0.00 C ATOM 494 C LEU A 33 2.744 2.091 -4.065 1.00 0.00 C ATOM 495 O LEU A 33 2.729 3.316 -3.979 1.00 0.00 O ATOM 496 CB LEU A 33 1.244 0.731 -5.623 1.00 0.00 C ATOM 497 CG LEU A 33 0.046 1.661 -5.357 1.00 0.00 C ATOM 498 CD1 LEU A 33 0.003 2.863 -6.306 1.00 0.00 C ATOM 499 CD2 LEU A 33 -1.257 0.880 -5.517 1.00 0.00 C ATOM 0 H LEU A 33 3.294 -0.555 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 33 2.736 2.193 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.173 0.348 -6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.178 -0.127 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 33 0.163 2.036 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.863 3.482 -6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.913 3.452 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.072 2.512 -7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.103 1.541 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.323 0.487 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.276 0.054 -4.806 1.00 0.00 H new ATOM 511 N ALA A 34 2.893 1.314 -2.988 1.00 0.00 N ATOM 512 CA ALA A 34 3.017 1.839 -1.632 1.00 0.00 C ATOM 513 C ALA A 34 4.325 2.622 -1.408 1.00 0.00 C ATOM 514 O ALA A 34 4.319 3.630 -0.707 1.00 0.00 O ATOM 515 CB ALA A 34 2.884 0.671 -0.657 1.00 0.00 C ATOM 0 H ALA A 34 2.931 0.296 -3.037 1.00 0.00 H new ATOM 0 HA ALA A 34 2.221 2.564 -1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.973 1.038 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.912 0.196 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.672 -0.057 -0.851 1.00 0.00 H new ATOM 521 N LEU A 35 5.434 2.207 -2.032 1.00 0.00 N ATOM 522 CA LEU A 35 6.721 2.920 -2.022 1.00 0.00 C ATOM 523 C LEU A 35 6.600 4.281 -2.733 1.00 0.00 C ATOM 524 O LEU A 35 7.047 5.300 -2.201 1.00 0.00 O ATOM 525 CB LEU A 35 7.779 1.986 -2.658 1.00 0.00 C ATOM 526 CG LEU A 35 9.267 2.377 -2.623 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.633 3.606 -3.449 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.778 2.591 -1.203 1.00 0.00 C ATOM 0 H LEU A 35 5.464 1.343 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 35 7.033 3.156 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.687 1.014 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.504 1.848 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 35 9.754 1.516 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.702 3.799 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.383 3.429 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.076 4.469 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.833 2.865 -1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.209 3.390 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.658 1.671 -0.631 1.00 0.00 H new ATOM 540 N LYS A 36 5.913 4.323 -3.886 1.00 0.00 N ATOM 541 CA LYS A 36 5.586 5.564 -4.622 1.00 0.00 C ATOM 542 C LYS A 36 4.751 6.520 -3.763 1.00 0.00 C ATOM 543 O LYS A 36 5.106 7.693 -3.634 1.00 0.00 O ATOM 544 CB LYS A 36 4.905 5.199 -5.950 1.00 0.00 C ATOM 545 CG LYS A 36 4.652 6.439 -6.829 1.00 0.00 C ATOM 546 CD LYS A 36 3.991 6.108 -8.172 1.00 0.00 C ATOM 547 CE LYS A 36 4.903 5.277 -9.087 1.00 0.00 C ATOM 548 NZ LYS A 36 4.285 5.046 -10.419 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.561 3.483 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 36 6.503 6.105 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.529 4.490 -6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.958 4.700 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.019 7.139 -6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.600 6.944 -7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.066 5.561 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.720 7.035 -8.678 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.857 5.790 -9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.116 4.318 -8.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.930 4.482 -11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.387 4.534 -10.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.104 5.960 -10.881 1.00 0.00 H new ATOM 562 N LEU A 37 3.715 6.013 -3.092 1.00 0.00 N ATOM 563 CA LEU A 37 2.923 6.779 -2.119 1.00 0.00 C ATOM 564 C LEU A 37 3.773 7.284 -0.937 1.00 0.00 C ATOM 565 O LEU A 37 3.585 8.424 -0.497 1.00 0.00 O ATOM 566 CB LEU A 37 1.757 5.906 -1.605 1.00 0.00 C ATOM 567 CG LEU A 37 0.392 6.165 -2.264 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.385 6.018 -3.783 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.622 5.171 -1.693 1.00 0.00 C ATOM 0 H LEU A 37 3.397 5.051 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 37 2.533 7.661 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.019 4.858 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.657 6.061 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 37 0.142 7.203 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.617 6.218 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.088 6.727 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.679 5.003 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.596 5.342 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.294 4.154 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.699 5.309 -0.614 1.00 0.00 H new ATOM 581 N LYS A 38 4.722 6.477 -0.429 1.00 0.00 N ATOM 582 CA LYS A 38 5.593 6.839 0.704 1.00 0.00 C ATOM 583 C LYS A 38 6.573 7.962 0.351 1.00 0.00 C ATOM 584 O LYS A 38 6.631 8.955 1.073 1.00 0.00 O ATOM 585 CB LYS A 38 6.306 5.594 1.275 1.00 0.00 C ATOM 586 CG LYS A 38 7.002 5.842 2.631 1.00 0.00 C ATOM 587 CD LYS A 38 6.022 6.146 3.781 1.00 0.00 C ATOM 588 CE LYS A 38 6.770 6.471 5.077 1.00 0.00 C ATOM 589 NZ LYS A 38 5.833 6.946 6.132 1.00 0.00 N1+ ATOM 0 H LYS A 38 4.908 5.544 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 38 4.954 7.238 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.578 4.792 1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.047 5.249 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.594 4.965 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.696 6.676 2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.384 6.986 3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.368 5.289 3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.298 5.584 5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.523 7.235 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.371 7.410 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.161 7.625 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.311 6.136 6.523 1.00 0.00 H new ATOM 603 N GLN A 39 7.293 7.866 -0.775 1.00 0.00 N ATOM 604 CA GLN A 39 8.224 8.925 -1.191 1.00 0.00 C ATOM 605 C GLN A 39 7.495 10.249 -1.499 1.00 0.00 C ATOM 606 O GLN A 39 8.019 11.319 -1.191 1.00 0.00 O ATOM 607 CB GLN A 39 9.136 8.468 -2.344 1.00 0.00 C ATOM 608 CG GLN A 39 8.428 8.216 -3.681 1.00 0.00 C ATOM 609 CD GLN A 39 9.412 7.893 -4.801 1.00 0.00 C ATOM 610 OE1 GLN A 39 10.020 8.770 -5.404 1.00 0.00 O ATOM 611 NE2 GLN A 39 9.620 6.635 -5.120 1.00 0.00 N ATOM 0 H GLN A 39 7.250 7.070 -1.412 1.00 0.00 H new ATOM 0 HA GLN A 39 8.878 9.127 -0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.907 9.224 -2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.643 7.552 -2.042 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.725 7.391 -3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.846 9.096 -3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.121 5.895 -4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.280 6.399 -5.861 1.00 0.00 H new ATOM 620 N GLN A 40 6.263 10.193 -2.020 1.00 0.00 N ATOM 621 CA GLN A 40 5.418 11.371 -2.263 1.00 0.00 C ATOM 622 C GLN A 40 5.077 12.141 -0.973 1.00 0.00 C ATOM 623 O GLN A 40 5.203 13.368 -0.943 1.00 0.00 O ATOM 624 CB GLN A 40 4.125 10.942 -2.972 1.00 0.00 C ATOM 625 CG GLN A 40 4.343 10.687 -4.475 1.00 0.00 C ATOM 626 CD GLN A 40 3.196 9.936 -5.160 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.236 9.482 -4.553 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.248 9.774 -6.466 1.00 0.00 N ATOM 0 H GLN A 40 5.818 9.316 -2.289 1.00 0.00 H new ATOM 0 HA GLN A 40 5.989 12.050 -2.896 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.739 10.036 -2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.368 11.715 -2.842 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.486 11.644 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.263 10.118 -4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.038 10.143 -6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.498 9.279 -6.949 1.00 0.00 H new ATOM 637 N GLN A 41 4.668 11.452 0.098 1.00 0.00 N ATOM 638 CA GLN A 41 4.424 12.093 1.401 1.00 0.00 C ATOM 639 C GLN A 41 5.710 12.514 2.140 1.00 0.00 C ATOM 640 O GLN A 41 5.654 13.406 2.987 1.00 0.00 O ATOM 641 CB GLN A 41 3.511 11.226 2.285 1.00 0.00 C ATOM 642 CG GLN A 41 4.127 9.907 2.776 1.00 0.00 C ATOM 643 CD GLN A 41 3.389 9.320 3.978 1.00 0.00 C ATOM 644 OE1 GLN A 41 3.991 8.817 4.922 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.077 9.365 4.012 1.00 0.00 N ATOM 0 H GLN A 41 4.498 10.446 0.091 1.00 0.00 H new ATOM 0 HA GLN A 41 3.902 13.025 1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.211 11.813 3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.603 10.997 1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.120 9.183 1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.170 10.076 3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.561 9.779 3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.574 8.986 4.814 1.00 0.00 H new ATOM 654 N LEU A 42 6.863 11.909 1.817 1.00 0.00 N ATOM 655 CA LEU A 42 8.167 12.279 2.388 1.00 0.00 C ATOM 656 C LEU A 42 8.739 13.568 1.770 1.00 0.00 C ATOM 657 O LEU A 42 9.334 14.372 2.489 1.00 0.00 O ATOM 658 CB LEU A 42 9.148 11.092 2.243 1.00 0.00 C ATOM 659 CG LEU A 42 9.302 10.230 3.509 1.00 0.00 C ATOM 660 CD1 LEU A 42 7.994 9.752 4.144 1.00 0.00 C ATOM 661 CD2 LEU A 42 10.136 8.990 3.174 1.00 0.00 C ATOM 0 H LEU A 42 6.917 11.142 1.146 1.00 0.00 H new ATOM 0 HA LEU A 42 8.024 12.497 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.810 10.456 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.127 11.479 1.962 1.00 0.00 H new ATOM 0 HG LEU A 42 9.779 10.884 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.216 9.154 5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.392 10.614 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.441 9.147 3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.249 8.375 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.634 8.413 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.119 9.298 2.819 1.00 0.00 H new ATOM 673 N GLU A 43 8.531 13.799 0.469 1.00 0.00 N ATOM 674 CA GLU A 43 8.897 15.061 -0.198 1.00 0.00 C ATOM 675 C GLU A 43 8.023 16.254 0.243 1.00 0.00 C ATOM 676 O GLU A 43 8.487 17.395 0.246 1.00 0.00 O ATOM 677 CB GLU A 43 8.802 14.887 -1.725 1.00 0.00 C ATOM 678 CG GLU A 43 9.938 14.024 -2.312 1.00 0.00 C ATOM 679 CD GLU A 43 11.350 14.625 -2.121 1.00 0.00 C ATOM 680 OE1 GLU A 43 11.507 15.871 -2.164 1.00 0.00 O ATOM 681 OE2 GLU A 43 12.322 13.849 -1.946 1.00 0.00 O1- ATOM 0 H GLU A 43 8.103 13.116 -0.156 1.00 0.00 H new ATOM 0 HA GLU A 43 9.921 15.290 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.843 14.431 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.820 15.869 -2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.908 13.038 -1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.757 13.880 -3.377 1.00 0.00 H new ATOM 688 N GLN A 44 6.770 15.997 0.646 1.00 0.00 N ATOM 689 CA GLN A 44 5.869 16.989 1.246 1.00 0.00 C ATOM 690 C GLN A 44 6.189 17.238 2.739 1.00 0.00 C ATOM 691 O GLN A 44 6.700 16.357 3.442 1.00 0.00 O ATOM 692 CB GLN A 44 4.408 16.542 1.049 1.00 0.00 C ATOM 693 CG GLN A 44 3.988 16.655 -0.429 1.00 0.00 C ATOM 694 CD GLN A 44 2.639 15.990 -0.692 1.00 0.00 C ATOM 695 OE1 GLN A 44 1.588 16.619 -0.693 1.00 0.00 O ATOM 696 NE2 GLN A 44 2.618 14.700 -0.941 1.00 0.00 N ATOM 0 H GLN A 44 6.347 15.073 0.561 1.00 0.00 H new ATOM 0 HA GLN A 44 6.020 17.942 0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.291 15.512 1.386 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.751 17.155 1.665 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.935 17.706 -0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.749 16.193 -1.059 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.487 14.167 -0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.732 14.232 -1.133 1.00 0.00 H new ATOM 705 N GLY A 45 5.876 18.446 3.231 1.00 0.00 N ATOM 706 CA GLY A 45 6.169 18.913 4.601 1.00 0.00 C ATOM 707 C GLY A 45 7.633 19.310 4.802 1.00 0.00 C ATOM 708 O GLY A 45 8.036 20.382 4.289 1.00 0.00 O ATOM 709 OXT GLY A 45 8.365 18.558 5.484 1.00 0.00 O1- ATOM 0 H GLY A 45 5.396 19.150 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.533 19.768 4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.912 18.125 5.309 1.00 0.00 H new TER 713 GLY A 45 ATOM 714 N GLY B 101 -3.490 3.910 18.415 1.00 0.00 N ATOM 715 CA GLY B 101 -2.737 3.266 17.313 1.00 0.00 C ATOM 716 C GLY B 101 -1.364 3.907 17.118 1.00 0.00 C ATOM 717 O GLY B 101 -1.129 5.021 17.600 1.00 0.00 O ATOM 0 HA2 GLY B 101 -2.616 2.204 17.527 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -3.309 3.342 16.388 1.00 0.00 H new ATOM 723 N PRO B 102 -0.442 3.233 16.404 1.00 0.00 N ATOM 724 CA PRO B 102 0.938 3.697 16.189 1.00 0.00 C ATOM 725 C PRO B 102 1.084 4.866 15.192 1.00 0.00 C ATOM 726 O PRO B 102 2.148 5.491 15.144 1.00 0.00 O ATOM 727 CB PRO B 102 1.683 2.453 15.691 1.00 0.00 C ATOM 728 CG PRO B 102 0.603 1.677 14.930 1.00 0.00 C ATOM 729 CD PRO B 102 -0.639 1.920 15.791 1.00 0.00 C ATOM 0 HA PRO B 102 1.339 4.111 17.114 1.00 0.00 H new ATOM 0 HB2 PRO B 102 2.520 2.717 15.044 1.00 0.00 H new ATOM 0 HB3 PRO B 102 2.090 1.870 16.517 1.00 0.00 H new ATOM 0 HG2 PRO B 102 0.473 2.050 13.914 1.00 0.00 H new ATOM 0 HG3 PRO B 102 0.843 0.617 14.852 1.00 0.00 H new ATOM 0 HD2 PRO B 102 -1.545 1.902 15.186 1.00 0.00 H new ATOM 0 HD3 PRO B 102 -0.747 1.145 16.550 1.00 0.00 H new ATOM 737 N GLY B 103 0.060 5.160 14.381 1.00 0.00 N ATOM 738 CA GLY B 103 0.117 6.174 13.319 1.00 0.00 C ATOM 739 C GLY B 103 0.991 5.728 12.145 1.00 0.00 C ATOM 740 O GLY B 103 0.771 4.646 11.593 1.00 0.00 O ATOM 0 H GLY B 103 -0.845 4.694 14.445 1.00 0.00 H new ATOM 0 HA2 GLY B 103 -0.892 6.381 12.961 1.00 0.00 H new ATOM 0 HA3 GLY B 103 0.508 7.106 13.728 1.00 0.00 H new ATOM 744 N SER B 104 1.989 6.540 11.792 1.00 0.00 N ATOM 745 CA SER B 104 2.972 6.281 10.725 1.00 0.00 C ATOM 746 C SER B 104 4.397 6.642 11.168 1.00 0.00 C ATOM 747 O SER B 104 4.591 7.530 12.004 1.00 0.00 O ATOM 748 CB SER B 104 2.620 7.064 9.456 1.00 0.00 C ATOM 749 OG SER B 104 1.374 6.652 8.929 1.00 0.00 O ATOM 0 H SER B 104 2.146 7.434 12.257 1.00 0.00 H new ATOM 0 HA SER B 104 2.936 5.213 10.511 1.00 0.00 H new ATOM 0 HB2 SER B 104 2.588 8.130 9.681 1.00 0.00 H new ATOM 0 HB3 SER B 104 3.400 6.919 8.708 1.00 0.00 H new ATOM 0 HG SER B 104 1.428 6.616 7.951 1.00 0.00 H new ATOM 755 N MET B 105 5.401 5.970 10.595 1.00 0.00 N ATOM 756 CA MET B 105 6.820 6.200 10.902 1.00 0.00 C ATOM 757 C MET B 105 7.272 7.634 10.547 1.00 0.00 C ATOM 758 O MET B 105 6.928 8.161 9.480 1.00 0.00 O ATOM 759 CB MET B 105 7.716 5.175 10.179 1.00 0.00 C ATOM 760 CG MET B 105 7.371 3.709 10.486 1.00 0.00 C ATOM 761 SD MET B 105 6.026 2.957 9.513 1.00 0.00 S ATOM 762 CE MET B 105 6.838 2.794 7.896 1.00 0.00 C ATOM 0 H MET B 105 5.251 5.242 9.896 1.00 0.00 H new ATOM 0 HA MET B 105 6.929 6.073 11.979 1.00 0.00 H new ATOM 0 HB2 MET B 105 7.639 5.337 9.104 1.00 0.00 H new ATOM 0 HB3 MET B 105 8.754 5.358 10.456 1.00 0.00 H new ATOM 0 HG2 MET B 105 8.271 3.111 10.340 1.00 0.00 H new ATOM 0 HG3 MET B 105 7.108 3.636 11.541 1.00 0.00 H new ATOM 0 HE1 MET B 105 6.199 2.221 7.224 1.00 0.00 H new ATOM 0 HE2 MET B 105 7.012 3.784 7.475 1.00 0.00 H new ATOM 0 HE3 MET B 105 7.791 2.279 8.018 1.00 0.00 H new ATOM 772 N ASN B 106 8.068 8.248 11.429 1.00 0.00 N ATOM 773 CA ASN B 106 8.658 9.583 11.244 1.00 0.00 C ATOM 774 C ASN B 106 9.655 9.616 10.058 1.00 0.00 C ATOM 775 O ASN B 106 10.322 8.618 9.764 1.00 0.00 O ATOM 776 CB ASN B 106 9.315 10.001 12.572 1.00 0.00 C ATOM 777 CG ASN B 106 9.907 11.396 12.534 1.00 0.00 C ATOM 778 OD1 ASN B 106 11.112 11.591 12.585 1.00 0.00 O ATOM 779 ND2 ASN B 106 9.088 12.413 12.409 1.00 0.00 N ATOM 0 H ASN B 106 8.328 7.820 12.317 1.00 0.00 H new ATOM 0 HA ASN B 106 7.878 10.299 10.984 1.00 0.00 H new ATOM 0 HB2 ASN B 106 8.573 9.950 13.369 1.00 0.00 H new ATOM 0 HB3 ASN B 106 10.100 9.287 12.822 1.00 0.00 H new ATOM 0 HD21 ASN B 106 9.458 13.362 12.355 1.00 0.00 H new ATOM 0 HD22 ASN B 106 8.081 12.255 12.366 1.00 0.00 H new ATOM 786 N LYS B 107 9.749 10.762 9.366 1.00 0.00 N ATOM 787 CA LYS B 107 10.488 10.880 8.094 1.00 0.00 C ATOM 788 C LYS B 107 12.007 10.639 8.242 1.00 0.00 C ATOM 789 O LYS B 107 12.613 11.211 9.154 1.00 0.00 O ATOM 790 CB LYS B 107 10.242 12.242 7.422 1.00 0.00 C ATOM 791 CG LYS B 107 8.771 12.438 7.009 1.00 0.00 C ATOM 792 CD LYS B 107 8.613 13.492 5.905 1.00 0.00 C ATOM 793 CE LYS B 107 8.944 14.926 6.333 1.00 0.00 C ATOM 794 NZ LYS B 107 8.869 15.843 5.169 1.00 0.00 N1+ ATOM 0 H LYS B 107 9.316 11.634 9.670 1.00 0.00 H new ATOM 0 HA LYS B 107 10.094 10.087 7.458 1.00 0.00 H new ATOM 0 HB2 LYS B 107 10.533 13.039 8.106 1.00 0.00 H new ATOM 0 HB3 LYS B 107 10.878 12.329 6.541 1.00 0.00 H new ATOM 0 HG2 LYS B 107 8.363 11.488 6.663 1.00 0.00 H new ATOM 0 HG3 LYS B 107 8.188 12.737 7.880 1.00 0.00 H new ATOM 0 HD2 LYS B 107 9.256 13.220 5.068 1.00 0.00 H new ATOM 0 HD3 LYS B 107 7.586 13.465 5.540 1.00 0.00 H new ATOM 0 HE2 LYS B 107 8.248 15.252 7.106 1.00 0.00 H new ATOM 0 HE3 LYS B 107 9.943 14.961 6.768 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 8.842 16.827 5.504 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 9.704 15.706 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 8.008 15.640 4.622 1.00 0.00 H new ATOM 808 N PRO B 108 12.636 9.840 7.353 1.00 0.00 N ATOM 809 CA PRO B 108 14.088 9.665 7.285 1.00 0.00 C ATOM 810 C PRO B 108 14.791 10.925 6.743 1.00 0.00 C ATOM 811 O PRO B 108 14.146 11.836 6.215 1.00 0.00 O ATOM 812 CB PRO B 108 14.297 8.454 6.371 1.00 0.00 C ATOM 813 CG PRO B 108 13.119 8.552 5.399 1.00 0.00 C ATOM 814 CD PRO B 108 11.998 9.106 6.272 1.00 0.00 C ATOM 0 HA PRO B 108 14.524 9.505 8.271 1.00 0.00 H new ATOM 0 HB2 PRO B 108 15.254 8.500 5.852 1.00 0.00 H new ATOM 0 HB3 PRO B 108 14.283 7.518 6.930 1.00 0.00 H new ATOM 0 HG2 PRO B 108 13.341 9.212 4.561 1.00 0.00 H new ATOM 0 HG3 PRO B 108 12.860 7.580 4.979 1.00 0.00 H new ATOM 0 HD2 PRO B 108 11.344 9.759 5.694 1.00 0.00 H new ATOM 0 HD3 PRO B 108 11.378 8.300 6.664 1.00 0.00 H new ATOM 822 N THR B 109 16.123 10.981 6.855 1.00 0.00 N ATOM 823 CA THR B 109 16.962 12.086 6.353 1.00 0.00 C ATOM 824 C THR B 109 18.388 11.622 6.026 1.00 0.00 C ATOM 825 O THR B 109 18.876 10.639 6.591 1.00 0.00 O ATOM 826 CB THR B 109 16.958 13.273 7.347 1.00 0.00 C ATOM 827 OG1 THR B 109 17.580 14.408 6.784 1.00 0.00 O ATOM 828 CG2 THR B 109 17.684 12.979 8.667 1.00 0.00 C ATOM 0 H THR B 109 16.664 10.244 7.307 1.00 0.00 H new ATOM 0 HA THR B 109 16.526 12.433 5.416 1.00 0.00 H new ATOM 0 HB THR B 109 15.903 13.450 7.555 1.00 0.00 H new ATOM 0 HG1 THR B 109 17.563 15.145 7.430 1.00 0.00 H new ATOM 0 HG21 THR B 109 17.639 13.857 9.311 1.00 0.00 H new ATOM 0 HG22 THR B 109 17.204 12.138 9.167 1.00 0.00 H new ATOM 0 HG23 THR B 109 18.726 12.733 8.462 1.00 0.00 H new ATOM 836 N SER B 110 19.062 12.332 5.113 1.00 0.00 N ATOM 837 CA SER B 110 20.474 12.149 4.714 1.00 0.00 C ATOM 838 C SER B 110 20.840 10.777 4.092 1.00 0.00 C ATOM 839 O SER B 110 22.009 10.514 3.795 1.00 0.00 O ATOM 840 CB SER B 110 21.384 12.560 5.885 1.00 0.00 C ATOM 841 OG SER B 110 22.716 12.857 5.491 1.00 0.00 O ATOM 0 H SER B 110 18.617 13.094 4.601 1.00 0.00 H new ATOM 0 HA SER B 110 20.645 12.814 3.867 1.00 0.00 H new ATOM 0 HB2 SER B 110 20.956 13.433 6.378 1.00 0.00 H new ATOM 0 HB3 SER B 110 21.402 11.756 6.620 1.00 0.00 H new ATOM 0 HG SER B 110 23.002 12.223 4.800 1.00 0.00 H new ATOM 847 N SER B 111 19.856 9.906 3.836 1.00 0.00 N ATOM 848 CA SER B 111 20.036 8.582 3.216 1.00 0.00 C ATOM 849 C SER B 111 18.753 8.058 2.542 1.00 0.00 C ATOM 850 O SER B 111 17.637 8.394 2.952 1.00 0.00 O ATOM 851 CB SER B 111 20.546 7.568 4.253 1.00 0.00 C ATOM 852 OG SER B 111 19.608 7.356 5.299 1.00 0.00 O ATOM 0 H SER B 111 18.882 10.107 4.061 1.00 0.00 H new ATOM 0 HA SER B 111 20.781 8.702 2.429 1.00 0.00 H new ATOM 0 HB2 SER B 111 20.758 6.620 3.759 1.00 0.00 H new ATOM 0 HB3 SER B 111 21.486 7.924 4.676 1.00 0.00 H new ATOM 0 HG SER B 111 19.969 6.704 5.935 1.00 0.00 H new ATOM 858 N ASP B 112 18.921 7.211 1.521 1.00 0.00 N ATOM 859 CA ASP B 112 17.833 6.558 0.766 1.00 0.00 C ATOM 860 C ASP B 112 17.569 5.093 1.189 1.00 0.00 C ATOM 861 O ASP B 112 16.668 4.439 0.661 1.00 0.00 O ATOM 862 CB ASP B 112 18.120 6.646 -0.743 1.00 0.00 C ATOM 863 CG ASP B 112 18.279 8.075 -1.294 1.00 0.00 C ATOM 864 OD1 ASP B 112 18.917 8.229 -2.367 1.00 0.00 O ATOM 865 OD2 ASP B 112 17.729 9.043 -0.712 1.00 0.00 O1- ATOM 0 H ASP B 112 19.847 6.949 1.182 1.00 0.00 H new ATOM 0 HA ASP B 112 16.919 7.101 1.004 1.00 0.00 H new ATOM 0 HB2 ASP B 112 19.031 6.087 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP B 112 17.310 6.154 -1.281 1.00 0.00 H new ATOM 870 N GLY B 113 18.332 4.573 2.158 1.00 0.00 N ATOM 871 CA GLY B 113 18.291 3.170 2.587 1.00 0.00 C ATOM 872 C GLY B 113 16.974 2.727 3.242 1.00 0.00 C ATOM 873 O GLY B 113 16.718 1.523 3.358 1.00 0.00 O ATOM 0 H GLY B 113 19.011 5.129 2.678 1.00 0.00 H new ATOM 0 HA2 GLY B 113 18.479 2.536 1.721 1.00 0.00 H new ATOM 0 HA3 GLY B 113 19.105 2.998 3.291 1.00 0.00 H new ATOM 877 N TRP B 114 16.106 3.675 3.609 1.00 0.00 N ATOM 878 CA TRP B 114 14.774 3.412 4.159 1.00 0.00 C ATOM 879 C TRP B 114 13.888 2.601 3.199 1.00 0.00 C ATOM 880 O TRP B 114 13.022 1.855 3.654 1.00 0.00 O ATOM 881 CB TRP B 114 14.113 4.758 4.493 1.00 0.00 C ATOM 882 CG TRP B 114 13.710 5.628 3.332 1.00 0.00 C ATOM 883 CD1 TRP B 114 14.438 6.650 2.818 1.00 0.00 C ATOM 884 CD2 TRP B 114 12.487 5.573 2.527 1.00 0.00 C ATOM 885 NE1 TRP B 114 13.754 7.228 1.764 1.00 0.00 N ATOM 886 CE2 TRP B 114 12.543 6.605 1.541 1.00 0.00 C ATOM 887 CE3 TRP B 114 11.335 4.754 2.536 1.00 0.00 C ATOM 888 CZ2 TRP B 114 11.506 6.816 0.613 1.00 0.00 C ATOM 889 CZ3 TRP B 114 10.301 4.941 1.596 1.00 0.00 C ATOM 890 CH2 TRP B 114 10.381 5.967 0.638 1.00 0.00 C ATOM 0 H TRP B 114 16.316 4.670 3.530 1.00 0.00 H new ATOM 0 HA TRP B 114 14.886 2.805 5.058 1.00 0.00 H new ATOM 0 HB2 TRP B 114 13.224 4.560 5.092 1.00 0.00 H new ATOM 0 HB3 TRP B 114 14.800 5.326 5.120 1.00 0.00 H new ATOM 0 HD1 TRP B 114 15.406 6.965 3.178 1.00 0.00 H new ATOM 0 HE1 TRP B 114 14.102 8.017 1.219 1.00 0.00 H new ATOM 0 HE3 TRP B 114 11.245 3.972 3.275 1.00 0.00 H new ATOM 0 HZ2 TRP B 114 11.571 7.617 -0.108 1.00 0.00 H new ATOM 0 HZ3 TRP B 114 9.439 4.290 1.612 1.00 0.00 H new ATOM 0 HH2 TRP B 114 9.583 6.104 -0.077 1.00 0.00 H new ATOM 901 N LYS B 115 14.105 2.713 1.882 1.00 0.00 N ATOM 902 CA LYS B 115 13.315 2.033 0.840 1.00 0.00 C ATOM 903 C LYS B 115 13.432 0.506 0.912 1.00 0.00 C ATOM 904 O LYS B 115 12.433 -0.195 0.740 1.00 0.00 O ATOM 905 CB LYS B 115 13.755 2.537 -0.545 1.00 0.00 C ATOM 906 CG LYS B 115 13.507 4.044 -0.723 1.00 0.00 C ATOM 907 CD LYS B 115 13.929 4.496 -2.121 1.00 0.00 C ATOM 908 CE LYS B 115 13.659 5.996 -2.280 1.00 0.00 C ATOM 909 NZ LYS B 115 14.058 6.490 -3.622 1.00 0.00 N1+ ATOM 0 H LYS B 115 14.852 3.292 1.499 1.00 0.00 H new ATOM 0 HA LYS B 115 12.266 2.275 1.011 1.00 0.00 H new ATOM 0 HB2 LYS B 115 14.815 2.326 -0.686 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.216 1.988 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS B 115 12.451 4.266 -0.566 1.00 0.00 H new ATOM 0 HG3 LYS B 115 14.065 4.601 0.029 1.00 0.00 H new ATOM 0 HD2 LYS B 115 14.988 4.288 -2.277 1.00 0.00 H new ATOM 0 HD3 LYS B 115 13.379 3.935 -2.877 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.599 6.193 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS B 115 14.204 6.547 -1.513 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 13.860 7.509 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 15.075 6.325 -3.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 13.519 5.983 -4.353 1.00 0.00 H new ATOM 923 N ASP B 116 14.625 -0.011 1.208 1.00 0.00 N ATOM 924 CA ASP B 116 14.869 -1.455 1.354 1.00 0.00 C ATOM 925 C ASP B 116 14.189 -2.025 2.612 1.00 0.00 C ATOM 926 O ASP B 116 13.556 -3.084 2.557 1.00 0.00 O ATOM 927 CB ASP B 116 16.380 -1.745 1.388 1.00 0.00 C ATOM 928 CG ASP B 116 17.157 -1.367 0.112 1.00 0.00 C ATOM 929 OD1 ASP B 116 18.406 -1.323 0.179 1.00 0.00 O ATOM 930 OD2 ASP B 116 16.553 -1.149 -0.968 1.00 0.00 O1- ATOM 0 H ASP B 116 15.457 0.560 1.355 1.00 0.00 H new ATOM 0 HA ASP B 116 14.431 -1.950 0.487 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.816 -1.208 2.230 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.524 -2.809 1.578 1.00 0.00 H new ATOM 935 N ASP B 117 14.246 -1.294 3.733 1.00 0.00 N ATOM 936 CA ASP B 117 13.525 -1.635 4.965 1.00 0.00 C ATOM 937 C ASP B 117 12.000 -1.522 4.785 1.00 0.00 C ATOM 938 O ASP B 117 11.252 -2.326 5.346 1.00 0.00 O ATOM 939 CB ASP B 117 13.986 -0.733 6.123 1.00 0.00 C ATOM 940 CG ASP B 117 15.455 -0.915 6.549 1.00 0.00 C ATOM 941 OD1 ASP B 117 15.996 0.006 7.213 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.065 -1.976 6.271 1.00 0.00 O1- ATOM 0 H ASP B 117 14.800 -0.441 3.810 1.00 0.00 H new ATOM 0 HA ASP B 117 13.757 -2.673 5.202 1.00 0.00 H new ATOM 0 HB2 ASP B 117 13.834 0.307 5.835 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.348 -0.922 6.986 1.00 0.00 H new ATOM 947 N TYR B 118 11.524 -0.577 3.969 1.00 0.00 N ATOM 948 CA TYR B 118 10.101 -0.397 3.669 1.00 0.00 C ATOM 949 C TYR B 118 9.532 -1.564 2.849 1.00 0.00 C ATOM 950 O TYR B 118 8.515 -2.146 3.228 1.00 0.00 O ATOM 951 CB TYR B 118 9.887 0.955 2.988 1.00 0.00 C ATOM 952 CG TYR B 118 8.436 1.329 2.809 1.00 0.00 C ATOM 953 CD1 TYR B 118 7.791 1.075 1.584 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.723 1.911 3.880 1.00 0.00 C ATOM 955 CE1 TYR B 118 6.442 1.412 1.419 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.362 2.233 3.719 1.00 0.00 C ATOM 957 CZ TYR B 118 5.725 1.986 2.484 1.00 0.00 C ATOM 958 OH TYR B 118 4.409 2.280 2.329 1.00 0.00 O ATOM 0 H TYR B 118 12.125 0.094 3.491 1.00 0.00 H new ATOM 0 HA TYR B 118 9.544 -0.399 4.606 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.381 1.729 3.576 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.371 0.939 2.011 1.00 0.00 H new ATOM 0 HD1 TYR B 118 8.337 0.620 0.771 1.00 0.00 H new ATOM 0 HD2 TYR B 118 8.220 2.108 4.819 1.00 0.00 H new ATOM 0 HE1 TYR B 118 5.952 1.231 0.474 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.807 2.667 4.538 1.00 0.00 H new ATOM 0 HH TYR B 118 4.269 2.706 1.457 1.00 0.00 H new ATOM 968 N LEU B 119 10.217 -1.997 1.783 1.00 0.00 N ATOM 969 CA LEU B 119 9.831 -3.197 1.027 1.00 0.00 C ATOM 970 C LEU B 119 9.894 -4.475 1.891 1.00 0.00 C ATOM 971 O LEU B 119 9.016 -5.334 1.778 1.00 0.00 O ATOM 972 CB LEU B 119 10.714 -3.320 -0.234 1.00 0.00 C ATOM 973 CG LEU B 119 10.030 -2.747 -1.488 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.764 -1.242 -1.416 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.867 -3.025 -2.735 1.00 0.00 C ATOM 0 H LEU B 119 11.049 -1.530 1.422 1.00 0.00 H new ATOM 0 HA LEU B 119 8.790 -3.089 0.721 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.656 -2.798 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.957 -4.369 -0.403 1.00 0.00 H new ATOM 0 HG LEU B 119 9.066 -3.253 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.280 -0.914 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU B 119 9.114 -1.028 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.708 -0.711 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.365 -2.611 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.847 -2.561 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU B 119 10.987 -4.101 -2.860 1.00 0.00 H new ATOM 987 N SER B 120 10.885 -4.580 2.786 1.00 0.00 N ATOM 988 CA SER B 120 11.020 -5.708 3.719 1.00 0.00 C ATOM 989 C SER B 120 9.840 -5.807 4.709 1.00 0.00 C ATOM 990 O SER B 120 9.216 -6.873 4.810 1.00 0.00 O ATOM 991 CB SER B 120 12.356 -5.612 4.464 1.00 0.00 C ATOM 992 OG SER B 120 12.544 -6.709 5.345 1.00 0.00 O ATOM 0 H SER B 120 11.621 -3.880 2.884 1.00 0.00 H new ATOM 0 HA SER B 120 11.002 -6.624 3.129 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.173 -5.579 3.744 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.392 -4.681 5.029 1.00 0.00 H new ATOM 0 HG SER B 120 13.406 -6.617 5.803 1.00 0.00 H new ATOM 998 N ARG B 121 9.466 -4.705 5.390 1.00 0.00 N ATOM 999 CA ARG B 121 8.349 -4.687 6.355 1.00 0.00 C ATOM 1000 C ARG B 121 6.977 -4.869 5.691 1.00 0.00 C ATOM 1001 O ARG B 121 6.128 -5.565 6.245 1.00 0.00 O ATOM 1002 CB ARG B 121 8.419 -3.438 7.255 1.00 0.00 C ATOM 1003 CG ARG B 121 7.997 -2.116 6.589 1.00 0.00 C ATOM 1004 CD ARG B 121 8.251 -0.877 7.454 1.00 0.00 C ATOM 1005 NE ARG B 121 7.334 -0.803 8.612 1.00 0.00 N ATOM 1006 CZ ARG B 121 7.617 -1.002 9.888 1.00 0.00 C ATOM 1007 NH1 ARG B 121 8.803 -1.357 10.290 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 6.698 -0.846 10.797 1.00 0.00 N ATOM 0 H ARG B 121 9.930 -3.803 5.286 1.00 0.00 H new ATOM 0 HA ARG B 121 8.467 -5.559 6.999 1.00 0.00 H new ATOM 0 HB2 ARG B 121 7.786 -3.604 8.126 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.441 -3.331 7.619 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.535 -2.007 5.648 1.00 0.00 H new ATOM 0 HG3 ARG B 121 6.936 -2.166 6.345 1.00 0.00 H new ATOM 0 HD2 ARG B 121 9.281 -0.890 7.810 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.136 0.019 6.844 1.00 0.00 H new ATOM 0 HE ARG B 121 6.364 -0.570 8.400 1.00 0.00 H new ATOM 0 HH11 ARG B 121 9.553 -1.491 9.611 1.00 0.00 H new ATOM 0 HH12 ARG B 121 8.983 -1.501 11.284 1.00 0.00 H new ATOM 0 HH21 ARG B 121 5.754 -0.569 10.526 1.00 0.00 H new ATOM 0 HH22 ARG B 121 6.922 -1.001 11.780 1.00 0.00 H new ATOM 1022 N LEU B 122 6.775 -4.328 4.487 1.00 0.00 N ATOM 1023 CA LEU B 122 5.510 -4.470 3.741 1.00 0.00 C ATOM 1024 C LEU B 122 5.171 -5.929 3.405 1.00 0.00 C ATOM 1025 O LEU B 122 4.000 -6.314 3.460 1.00 0.00 O ATOM 1026 CB LEU B 122 5.555 -3.634 2.449 1.00 0.00 C ATOM 1027 CG LEU B 122 4.771 -2.317 2.571 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.242 -1.371 3.681 1.00 0.00 C ATOM 1029 CD2 LEU B 122 4.869 -1.585 1.236 1.00 0.00 C ATOM 0 H LEU B 122 7.480 -3.778 3.997 1.00 0.00 H new ATOM 0 HA LEU B 122 4.721 -4.101 4.396 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.593 -3.413 2.199 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.147 -4.221 1.626 1.00 0.00 H new ATOM 0 HG LEU B 122 3.751 -2.595 2.837 1.00 0.00 H new ATOM 0 HD11 LEU B 122 4.624 -0.473 3.681 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.156 -1.871 4.646 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.282 -1.095 3.507 1.00 0.00 H new ATOM 0 HD21 LEU B 122 4.320 -0.645 1.295 1.00 0.00 H new ATOM 0 HD22 LEU B 122 5.915 -1.380 1.009 1.00 0.00 H new ATOM 0 HD23 LEU B 122 4.442 -2.206 0.448 1.00 0.00 H new ATOM 1041 N SER B 123 6.176 -6.756 3.117 1.00 0.00 N ATOM 1042 CA SER B 123 6.006 -8.190 2.850 1.00 0.00 C ATOM 1043 C SER B 123 5.378 -8.976 4.022 1.00 0.00 C ATOM 1044 O SER B 123 4.777 -10.032 3.804 1.00 0.00 O ATOM 1045 CB SER B 123 7.361 -8.798 2.468 1.00 0.00 C ATOM 1046 OG SER B 123 7.174 -10.070 1.873 1.00 0.00 O ATOM 0 H SER B 123 7.146 -6.447 3.061 1.00 0.00 H new ATOM 0 HA SER B 123 5.299 -8.275 2.025 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.882 -8.137 1.776 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.989 -8.891 3.354 1.00 0.00 H new ATOM 0 HG SER B 123 8.045 -10.449 1.631 1.00 0.00 H new ATOM 1052 N ARG B 124 5.478 -8.457 5.258 1.00 0.00 N ATOM 1053 CA ARG B 124 4.948 -9.088 6.482 1.00 0.00 C ATOM 1054 C ARG B 124 3.430 -8.920 6.676 1.00 0.00 C ATOM 1055 O ARG B 124 2.822 -9.703 7.411 1.00 0.00 O ATOM 1056 CB ARG B 124 5.701 -8.536 7.713 1.00 0.00 C ATOM 1057 CG ARG B 124 7.241 -8.571 7.638 1.00 0.00 C ATOM 1058 CD ARG B 124 7.835 -9.949 7.298 1.00 0.00 C ATOM 1059 NE ARG B 124 7.524 -10.968 8.324 1.00 0.00 N ATOM 1060 CZ ARG B 124 7.817 -12.255 8.267 1.00 0.00 C ATOM 1061 NH1 ARG B 124 8.428 -12.787 7.247 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.485 -13.045 9.247 1.00 0.00 N ATOM 0 H ARG B 124 5.940 -7.566 5.439 1.00 0.00 H new ATOM 0 HA ARG B 124 5.115 -10.159 6.370 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.389 -7.504 7.872 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.387 -9.103 8.590 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.571 -7.853 6.888 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.646 -8.242 8.595 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.449 -10.279 6.334 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.916 -9.860 7.195 1.00 0.00 H new ATOM 0 HE ARG B 124 7.035 -10.645 9.159 1.00 0.00 H new ATOM 0 HH11 ARG B 124 8.698 -12.205 6.454 1.00 0.00 H new ATOM 0 HH12 ARG B 124 8.636 -13.785 7.241 1.00 0.00 H new ATOM 0 HH21 ARG B 124 6.998 -12.671 10.061 1.00 0.00 H new ATOM 0 HH22 ARG B 124 7.712 -14.038 9.201 1.00 0.00 H new ATOM 1076 N LEU B 125 2.808 -7.913 6.050 1.00 0.00 N ATOM 1077 CA LEU B 125 1.370 -7.634 6.188 1.00 0.00 C ATOM 1078 C LEU B 125 0.491 -8.634 5.412 1.00 0.00 C ATOM 1079 O LEU B 125 0.822 -9.054 4.299 1.00 0.00 O ATOM 1080 CB LEU B 125 1.023 -6.191 5.763 1.00 0.00 C ATOM 1081 CG LEU B 125 1.450 -5.018 6.677 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.482 -5.348 8.173 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.801 -4.449 6.267 1.00 0.00 C ATOM 0 H LEU B 125 3.290 -7.263 5.429 1.00 0.00 H new ATOM 0 HA LEU B 125 1.149 -7.751 7.249 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.465 -6.021 4.781 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.059 -6.135 5.639 1.00 0.00 H new ATOM 0 HG LEU B 125 0.666 -4.275 6.533 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.792 -4.466 8.734 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.488 -5.655 8.499 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.189 -6.158 8.352 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.067 -3.627 6.932 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.559 -5.229 6.333 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.746 -4.083 5.242 1.00 0.00 H new ATOM 1095 N SER B 126 -0.666 -8.969 5.994 1.00 0.00 N ATOM 1096 CA SER B 126 -1.774 -9.659 5.315 1.00 0.00 C ATOM 1097 C SER B 126 -2.506 -8.736 4.317 1.00 0.00 C ATOM 1098 O SER B 126 -2.306 -7.515 4.319 1.00 0.00 O ATOM 1099 CB SER B 126 -2.737 -10.234 6.365 1.00 0.00 C ATOM 1100 OG SER B 126 -3.705 -11.073 5.754 1.00 0.00 O ATOM 0 H SER B 126 -0.865 -8.764 6.973 1.00 0.00 H new ATOM 0 HA SER B 126 -1.363 -10.478 4.725 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.176 -10.800 7.109 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.235 -9.421 6.893 1.00 0.00 H new ATOM 0 HG SER B 126 -4.307 -11.430 6.439 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.360 -9.303 3.459 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.037 -8.614 2.344 1.00 0.00 C ATOM 1108 C LYS B 127 -4.883 -7.409 2.781 1.00 0.00 C ATOM 1109 O LYS B 127 -4.898 -6.377 2.113 1.00 0.00 O ATOM 1110 CB LYS B 127 -4.893 -9.656 1.593 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.381 -9.206 0.207 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.257 -9.082 -0.835 1.00 0.00 C ATOM 1113 CE LYS B 127 -4.851 -8.623 -2.170 1.00 0.00 C ATOM 1114 NZ LYS B 127 -3.842 -8.593 -3.258 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.611 -10.290 3.520 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.274 -8.192 1.690 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.311 -10.571 1.479 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.760 -9.904 2.206 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.123 -9.917 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -5.883 -8.243 0.303 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.506 -8.369 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -3.753 -10.041 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -5.665 -9.291 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -5.282 -7.629 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -4.256 -8.150 -4.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -3.015 -8.044 -2.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -3.548 -9.564 -3.485 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.550 -7.512 3.928 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.320 -6.422 4.536 1.00 0.00 C ATOM 1130 C ASN B 128 -5.426 -5.359 5.219 1.00 0.00 C ATOM 1131 O ASN B 128 -5.710 -4.161 5.153 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.355 -7.045 5.492 1.00 0.00 C ATOM 1133 CG ASN B 128 -6.770 -7.711 6.734 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -5.738 -8.366 6.695 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -7.407 -7.559 7.872 1.00 0.00 N ATOM 0 H ASN B 128 -5.573 -8.373 4.475 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.840 -5.866 3.755 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -8.049 -6.266 5.809 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -7.936 -7.785 4.941 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -7.041 -7.987 8.722 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -8.268 -7.013 7.906 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.320 -5.779 5.836 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.374 -4.898 6.534 1.00 0.00 C ATOM 1144 C GLN B 129 -2.570 -4.018 5.564 1.00 0.00 C ATOM 1145 O GLN B 129 -2.399 -2.822 5.814 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.434 -5.754 7.397 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.141 -6.448 8.570 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.277 -7.527 9.225 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.273 -7.993 8.702 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.635 -7.980 10.408 1.00 0.00 N ATOM 0 H GLN B 129 -4.049 -6.762 5.867 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.945 -4.219 7.167 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.964 -6.510 6.768 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.636 -5.122 7.787 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.413 -5.703 9.317 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -4.069 -6.897 8.215 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.467 -7.609 10.866 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -2.080 -8.702 10.867 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.115 -4.566 4.428 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.426 -3.789 3.382 1.00 0.00 C ATOM 1161 C LEU B 130 -2.362 -2.777 2.710 1.00 0.00 C ATOM 1162 O LEU B 130 -1.929 -1.682 2.353 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.713 -4.723 2.376 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.606 -5.658 1.536 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.126 -5.017 0.239 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.810 -6.908 1.166 1.00 0.00 C ATOM 0 H LEU B 130 -2.213 -5.557 4.207 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.648 -3.195 3.860 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.132 -4.104 1.692 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.004 -5.339 2.929 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.474 -5.892 2.152 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.746 -5.734 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.719 -4.135 0.481 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.282 -4.727 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.435 -7.575 0.572 1.00 0.00 H new ATOM 0 HD22 LEU B 130 0.068 -6.622 0.587 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.495 -7.421 2.075 1.00 0.00 H new ATOM 1178 N MET B 131 -3.659 -3.095 2.603 1.00 0.00 N ATOM 1179 CA MET B 131 -4.684 -2.158 2.126 1.00 0.00 C ATOM 1180 C MET B 131 -4.888 -1.007 3.113 1.00 0.00 C ATOM 1181 O MET B 131 -4.878 0.147 2.700 1.00 0.00 O ATOM 1182 CB MET B 131 -6.008 -2.888 1.861 1.00 0.00 C ATOM 1183 CG MET B 131 -6.083 -3.341 0.398 1.00 0.00 C ATOM 1184 SD MET B 131 -7.691 -4.015 -0.098 1.00 0.00 S ATOM 1185 CE MET B 131 -7.528 -5.712 0.496 1.00 0.00 C ATOM 0 H MET B 131 -4.028 -4.014 2.846 1.00 0.00 H new ATOM 0 HA MET B 131 -4.333 -1.732 1.186 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.093 -3.751 2.521 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.846 -2.229 2.088 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.845 -2.493 -0.244 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.317 -4.097 0.225 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.315 -6.327 0.059 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.555 -6.107 0.206 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.616 -5.727 1.582 1.00 0.00 H new ATOM 1195 N ALA B 132 -5.001 -1.297 4.415 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.094 -0.273 5.455 1.00 0.00 C ATOM 1197 C ALA B 132 -3.855 0.646 5.487 1.00 0.00 C ATOM 1198 O ALA B 132 -4.001 1.868 5.593 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.323 -0.966 6.806 1.00 0.00 C ATOM 0 H ALA B 132 -5.030 -2.251 4.774 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.937 0.381 5.232 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.395 -0.215 7.593 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.248 -1.541 6.768 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.489 -1.635 7.018 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.646 0.088 5.326 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.388 0.841 5.290 1.00 0.00 C ATOM 1207 C LEU B 133 -1.316 1.773 4.067 1.00 0.00 C ATOM 1208 O LEU B 133 -1.071 2.974 4.216 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.228 -0.173 5.363 1.00 0.00 C ATOM 1210 CG LEU B 133 1.220 0.361 5.427 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.757 0.883 4.095 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.395 1.436 6.499 1.00 0.00 C ATOM 0 H LEU B 133 -2.515 -0.917 5.215 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.318 1.511 6.147 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.389 -0.797 6.242 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.302 -0.824 4.492 1.00 0.00 H new ATOM 0 HG LEU B 133 1.811 -0.516 5.692 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.779 1.239 4.229 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.746 0.080 3.358 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.130 1.704 3.746 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.430 1.779 6.505 1.00 0.00 H new ATOM 0 HD22 LEU B 133 0.735 2.276 6.283 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.145 1.020 7.475 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.576 1.254 2.862 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.560 2.061 1.642 1.00 0.00 C ATOM 1226 C ALA B 134 -2.663 3.147 1.644 1.00 0.00 C ATOM 1227 O ALA B 134 -2.419 4.277 1.220 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.679 1.116 0.440 1.00 0.00 C ATOM 0 H ALA B 134 -1.801 0.271 2.708 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.619 2.608 1.582 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.669 1.697 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -0.840 0.420 0.440 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.613 0.558 0.507 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.850 2.847 2.189 1.00 0.00 N ATOM 1235 CA LEU B 135 -4.939 3.822 2.357 1.00 0.00 C ATOM 1236 C LEU B 135 -4.572 4.931 3.359 1.00 0.00 C ATOM 1237 O LEU B 135 -4.785 6.111 3.077 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.205 3.042 2.764 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.559 3.766 2.744 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.720 4.871 3.785 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -7.869 4.318 1.355 1.00 0.00 C ATOM 0 H LEU B 135 -4.084 1.914 2.529 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.123 4.346 1.419 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.284 2.176 2.107 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.049 2.663 3.774 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.280 2.994 3.014 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.709 5.320 3.689 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.609 4.449 4.784 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.958 5.634 3.627 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.834 4.825 1.372 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.093 5.025 1.063 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -7.902 3.499 0.637 1.00 0.00 H new ATOM 1253 N LYS B 136 -3.958 4.580 4.500 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.423 5.530 5.496 1.00 0.00 C ATOM 1255 C LYS B 136 -2.424 6.507 4.863 1.00 0.00 C ATOM 1256 O LYS B 136 -2.562 7.718 5.035 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.798 4.736 6.660 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.288 5.624 7.806 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.400 4.851 8.796 1.00 0.00 C ATOM 1260 CE LYS B 136 -2.134 3.722 9.535 1.00 0.00 C ATOM 1261 NZ LYS B 136 -1.185 2.937 10.370 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.815 3.605 4.765 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.237 6.141 5.885 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.539 4.040 7.053 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -1.970 4.139 6.278 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.723 6.459 7.391 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.139 6.048 8.340 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -0.552 4.429 8.256 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -0.995 5.549 9.529 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -2.918 4.142 10.164 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -2.621 3.065 8.814 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -1.711 2.433 11.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -0.684 2.249 9.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -0.496 3.580 10.810 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.486 6.003 4.064 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.566 6.834 3.278 1.00 0.00 C ATOM 1277 C LEU B 137 -1.301 7.721 2.267 1.00 0.00 C ATOM 1278 O LEU B 137 -0.956 8.898 2.131 1.00 0.00 O ATOM 1279 CB LEU B 137 0.426 5.931 2.525 1.00 0.00 C ATOM 1280 CG LEU B 137 1.794 5.765 3.202 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.740 5.207 4.627 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.619 4.827 2.338 1.00 0.00 C ATOM 0 H LEU B 137 -1.339 5.001 3.940 1.00 0.00 H new ATOM 0 HA LEU B 137 -0.041 7.487 3.976 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.024 4.946 2.402 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.579 6.339 1.526 1.00 0.00 H new ATOM 0 HG LEU B 137 2.230 6.760 3.292 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.752 5.125 5.024 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.156 5.877 5.258 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.274 4.222 4.615 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.601 4.685 2.790 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.113 3.865 2.260 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.736 5.257 1.343 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.320 7.186 1.578 1.00 0.00 N ATOM 1295 CA LYS B 138 -3.075 7.931 0.563 1.00 0.00 C ATOM 1296 C LYS B 138 -3.834 9.114 1.159 1.00 0.00 C ATOM 1297 O LYS B 138 -3.679 10.233 0.678 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.997 7.001 -0.246 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.571 7.675 -1.507 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.469 8.093 -2.499 1.00 0.00 C ATOM 1301 CE LYS B 138 -4.029 8.576 -3.840 1.00 0.00 C ATOM 1302 NZ LYS B 138 -2.929 8.990 -4.756 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.642 6.227 1.709 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.348 8.352 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.441 6.110 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.819 6.670 0.389 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.260 6.990 -2.001 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.148 8.553 -1.216 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.868 8.887 -2.054 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.803 7.248 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.613 7.781 -4.303 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.706 9.414 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.307 9.626 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.193 9.485 -4.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.518 8.148 -5.208 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.593 8.906 2.239 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.324 10.000 2.888 1.00 0.00 C ATOM 1318 C GLN B 139 -4.378 11.055 3.505 1.00 0.00 C ATOM 1319 O GLN B 139 -4.687 12.242 3.468 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.377 9.465 3.871 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.830 8.865 5.169 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.962 8.325 6.037 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.840 9.049 6.501 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -6.998 7.033 6.276 1.00 0.00 N ATOM 0 H GLN B 139 -4.717 7.995 2.681 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.876 10.534 2.114 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -7.055 10.279 4.126 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.969 8.704 3.362 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.130 8.063 4.937 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -5.274 9.624 5.720 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.274 6.424 5.895 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.750 6.640 6.842 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.186 10.652 3.972 1.00 0.00 N ATOM 1334 CA GLN B 140 -2.145 11.589 4.420 1.00 0.00 C ATOM 1335 C GLN B 140 -1.641 12.499 3.283 1.00 0.00 C ATOM 1336 O GLN B 140 -1.636 13.720 3.448 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.979 10.809 5.051 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.311 10.302 6.466 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.349 9.223 6.970 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.550 8.749 6.289 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.501 8.768 8.192 1.00 0.00 N ATOM 0 H GLN B 140 -2.918 9.671 4.049 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.591 12.244 5.168 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.725 9.961 4.414 1.00 0.00 H new ATOM 0 HB3 GLN B 140 -0.098 11.450 5.095 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.295 11.144 7.158 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.326 9.904 6.472 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.241 9.141 8.787 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.121 8.041 8.547 1.00 0.00 H new ATOM 1350 N GLN B 141 -1.264 11.955 2.116 1.00 0.00 N ATOM 1351 CA GLN B 141 -0.816 12.791 0.989 1.00 0.00 C ATOM 1352 C GLN B 141 -1.943 13.670 0.394 1.00 0.00 C ATOM 1353 O GLN B 141 -1.678 14.770 -0.088 1.00 0.00 O ATOM 1354 CB GLN B 141 -0.086 11.958 -0.086 1.00 0.00 C ATOM 1355 CG GLN B 141 -0.966 10.941 -0.828 1.00 0.00 C ATOM 1356 CD GLN B 141 -0.326 10.402 -2.107 1.00 0.00 C ATOM 1357 OE1 GLN B 141 -0.943 10.374 -3.169 1.00 0.00 O ATOM 1358 NE2 GLN B 141 0.914 9.963 -2.084 1.00 0.00 N ATOM 0 H GLN B 141 -1.260 10.953 1.928 1.00 0.00 H new ATOM 0 HA GLN B 141 -0.089 13.492 1.399 1.00 0.00 H new ATOM 0 HB2 GLN B 141 0.351 12.639 -0.817 1.00 0.00 H new ATOM 0 HB3 GLN B 141 0.739 11.425 0.387 1.00 0.00 H new ATOM 0 HG2 GLN B 141 -1.185 10.107 -0.161 1.00 0.00 H new ATOM 0 HG3 GLN B 141 -1.918 11.409 -1.077 1.00 0.00 H new ATOM 0 HE21 GLN B 141 1.444 9.977 -1.213 1.00 0.00 H new ATOM 0 HE22 GLN B 141 1.345 9.608 -2.938 1.00 0.00 H new ATOM 1367 N LEU B 142 -3.209 13.233 0.480 1.00 0.00 N ATOM 1368 CA LEU B 142 -4.381 14.030 0.082 1.00 0.00 C ATOM 1369 C LEU B 142 -4.630 15.209 1.043 1.00 0.00 C ATOM 1370 O LEU B 142 -4.980 16.298 0.590 1.00 0.00 O ATOM 1371 CB LEU B 142 -5.621 13.116 -0.003 1.00 0.00 C ATOM 1372 CG LEU B 142 -5.949 12.643 -1.434 1.00 0.00 C ATOM 1373 CD1 LEU B 142 -4.815 11.887 -2.135 1.00 0.00 C ATOM 1374 CD2 LEU B 142 -7.165 11.708 -1.409 1.00 0.00 C ATOM 0 H LEU B 142 -3.451 12.307 0.832 1.00 0.00 H new ATOM 0 HA LEU B 142 -4.183 14.462 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -5.462 12.243 0.630 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -6.482 13.649 0.400 1.00 0.00 H new ATOM 0 HG LEU B 142 -6.133 13.560 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU B 142 -5.136 11.594 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU B 142 -3.940 12.532 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -4.561 10.997 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU B 142 -7.391 11.378 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU B 142 -6.945 10.841 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU B 142 -8.024 12.240 -1.001 1.00 0.00 H new ATOM 1386 N GLU B 143 -4.415 15.038 2.351 1.00 0.00 N ATOM 1387 CA GLU B 143 -4.483 16.132 3.334 1.00 0.00 C ATOM 1388 C GLU B 143 -3.292 17.111 3.219 1.00 0.00 C ATOM 1389 O GLU B 143 -3.444 18.301 3.498 1.00 0.00 O ATOM 1390 CB GLU B 143 -4.579 15.555 4.756 1.00 0.00 C ATOM 1391 CG GLU B 143 -5.982 14.996 5.047 1.00 0.00 C ATOM 1392 CD GLU B 143 -6.154 14.486 6.494 1.00 0.00 C ATOM 1393 OE1 GLU B 143 -7.316 14.378 6.955 1.00 0.00 O ATOM 1394 OE2 GLU B 143 -5.148 14.187 7.188 1.00 0.00 O1- ATOM 0 H GLU B 143 -4.187 14.133 2.763 1.00 0.00 H new ATOM 0 HA GLU B 143 -5.381 16.710 3.116 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -3.839 14.764 4.879 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -4.339 16.332 5.482 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -6.721 15.773 4.854 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -6.190 14.180 4.355 1.00 0.00 H new ATOM 1401 N GLN B 144 -2.115 16.642 2.781 1.00 0.00 N ATOM 1402 CA GLN B 144 -0.920 17.472 2.558 1.00 0.00 C ATOM 1403 C GLN B 144 -1.017 18.395 1.319 1.00 0.00 C ATOM 1404 O GLN B 144 -0.261 19.367 1.232 1.00 0.00 O ATOM 1405 CB GLN B 144 0.324 16.574 2.452 1.00 0.00 C ATOM 1406 CG GLN B 144 0.752 15.975 3.802 1.00 0.00 C ATOM 1407 CD GLN B 144 1.765 14.836 3.668 1.00 0.00 C ATOM 1408 OE1 GLN B 144 2.089 14.343 2.594 1.00 0.00 O ATOM 1409 NE2 GLN B 144 2.333 14.378 4.764 1.00 0.00 N ATOM 0 H GLN B 144 -1.963 15.656 2.567 1.00 0.00 H new ATOM 0 HA GLN B 144 -0.841 18.134 3.420 1.00 0.00 H new ATOM 0 HB2 GLN B 144 0.122 15.765 1.750 1.00 0.00 H new ATOM 0 HB3 GLN B 144 1.150 17.154 2.041 1.00 0.00 H new ATOM 0 HG2 GLN B 144 1.182 16.763 4.421 1.00 0.00 H new ATOM 0 HG3 GLN B 144 -0.131 15.606 4.324 1.00 0.00 H new ATOM 0 HE21 GLN B 144 2.081 14.771 5.671 1.00 0.00 H new ATOM 0 HE22 GLN B 144 3.025 13.630 4.706 1.00 0.00 H new ATOM 1418 N GLY B 145 -1.938 18.137 0.377 1.00 0.00 N ATOM 1419 CA GLY B 145 -2.123 18.925 -0.854 1.00 0.00 C ATOM 1420 C GLY B 145 -3.402 18.580 -1.622 1.00 0.00 C ATOM 1421 O GLY B 145 -4.408 19.307 -1.459 1.00 0.00 O ATOM 1422 OXT GLY B 145 -3.371 17.612 -2.415 1.00 0.00 O1- ATOM 0 H GLY B 145 -2.591 17.357 0.451 1.00 0.00 H new ATOM 0 HA2 GLY B 145 -2.139 19.984 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY B 145 -1.265 18.768 -1.507 1.00 0.00 H new TER 1426 GLY B 145