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= 0.291 X(o=0.83,f=1.2) USER MOD Set 1.2: B 138 LYS NZ :NH3+ -158:sc= 0.624 (180deg=0) USER MOD Set 1.3: B 141 GLN : amide:sc= -0.0887 K(o=0.83,f=-0.28) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -161:sc= 1.07 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc= 1.93 K(o=3.9,f=-3.5) USER MOD Set 2.3: B 140 GLN : amide:sc= 0.869 K(o=3.9,f=-3.5) USER MOD Set 3.1: A 27 LYS NZ :NH3+ 180:sc= 1.01 (180deg=1.01) USER MOD Set 3.2: B 123 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -170:sc= 0 (180deg=-0.0845) USER MOD Single : A 6 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.37) 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= 0.041 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0434) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.495 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.015 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.637 K(o=0.64,f=-4.4!) USER MOD Single : A 31 MET CE :methyl -172:sc= -0.172 (180deg=-0.212) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 44 GLN : amide:sc= 0.931 K(o=0.93,f=0) USER MOD Single : B 104 SER OG : rot 180:sc= 0.0514 USER MOD Single : B 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 106 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 107 LYS NZ :NH3+ -179:sc= 0.799 (180deg=0.798) 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+ 155:sc= 1.23 (180deg=0.806) USER MOD Single : B 118 TYR OH : rot 30:sc= 0 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 126 SER OG : rot 180:sc= -0.0192 USER MOD Single : B 127 LYS NZ :NH3+ -169:sc= 0.937 (180deg=0.857) USER MOD Single : B 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 129 GLN : amide:sc= 0.582 K(o=0.58,f=-4.3!) USER MOD Single : B 131 MET CE :methyl 155:sc= -0.263 (180deg=-0.321) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 139 GLN : amide:sc= -0.0983 X(o=-0.098,f=0) USER MOD Single : B 144 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.683 14.591 6.006 1.00 0.00 N ATOM 2 CA GLY A 1 -27.601 14.402 5.018 1.00 0.00 C ATOM 3 C GLY A 1 -27.259 15.718 4.328 1.00 0.00 C ATOM 4 O GLY A 1 -28.114 16.249 3.612 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.899 13.682 6.463 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.379 15.277 6.726 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.534 14.947 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.715 14.006 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.906 13.665 4.275 1.00 0.00 H new ATOM 10 N PRO A 2 -26.043 16.269 4.528 1.00 0.00 N ATOM 11 CA PRO A 2 -25.625 17.551 3.946 1.00 0.00 C ATOM 12 C PRO A 2 -25.595 17.562 2.406 1.00 0.00 C ATOM 13 O PRO A 2 -25.220 16.573 1.769 1.00 0.00 O ATOM 14 CB PRO A 2 -24.239 17.847 4.531 1.00 0.00 C ATOM 15 CG PRO A 2 -24.220 17.048 5.835 1.00 0.00 C ATOM 16 CD PRO A 2 -25.027 15.806 5.470 1.00 0.00 C ATOM 0 HA PRO A 2 -26.355 18.320 4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -23.443 17.532 3.856 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -24.100 18.913 4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -23.205 16.797 6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -24.675 17.601 6.657 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -24.392 15.043 5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -25.484 15.360 6.354 1.00 0.00 H new ATOM 24 N GLY A 3 -25.953 18.701 1.802 1.00 0.00 N ATOM 25 CA GLY A 3 -25.972 18.897 0.342 1.00 0.00 C ATOM 26 C GLY A 3 -26.901 17.915 -0.393 1.00 0.00 C ATOM 27 O GLY A 3 -27.959 17.535 0.113 1.00 0.00 O ATOM 0 H GLY A 3 -26.244 19.530 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -26.288 19.917 0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -24.959 18.787 -0.045 1.00 0.00 H new ATOM 31 N SER A 4 -26.483 17.474 -1.588 1.00 0.00 N ATOM 32 CA SER A 4 -27.180 16.427 -2.373 1.00 0.00 C ATOM 33 C SER A 4 -27.066 15.019 -1.761 1.00 0.00 C ATOM 34 O SER A 4 -27.888 14.155 -2.073 1.00 0.00 O ATOM 35 CB SER A 4 -26.638 16.391 -3.809 1.00 0.00 C ATOM 36 OG SER A 4 -26.756 17.673 -4.414 1.00 0.00 O ATOM 0 H SER A 4 -25.645 17.832 -2.047 1.00 0.00 H new ATOM 0 HA SER A 4 -28.235 16.700 -2.363 1.00 0.00 H new ATOM 0 HB2 SER A 4 -25.594 16.079 -3.803 1.00 0.00 H new ATOM 0 HB3 SER A 4 -27.188 15.653 -4.394 1.00 0.00 H new ATOM 0 HG SER A 4 -26.405 17.637 -5.328 1.00 0.00 H new ATOM 42 N MET A 5 -26.070 14.795 -0.888 1.00 0.00 N ATOM 43 CA MET A 5 -25.727 13.556 -0.157 1.00 0.00 C ATOM 44 C MET A 5 -25.374 12.337 -1.037 1.00 0.00 C ATOM 45 O MET A 5 -24.251 11.830 -0.971 1.00 0.00 O ATOM 46 CB MET A 5 -26.805 13.258 0.904 1.00 0.00 C ATOM 47 CG MET A 5 -26.430 12.131 1.876 1.00 0.00 C ATOM 48 SD MET A 5 -26.580 10.419 1.280 1.00 0.00 S ATOM 49 CE MET A 5 -28.386 10.260 1.126 1.00 0.00 C ATOM 0 H MET A 5 -25.421 15.546 -0.651 1.00 0.00 H new ATOM 0 HA MET A 5 -24.781 13.751 0.349 1.00 0.00 H new ATOM 0 HB2 MET A 5 -26.999 14.166 1.475 1.00 0.00 H new ATOM 0 HB3 MET A 5 -27.734 12.994 0.399 1.00 0.00 H new ATOM 0 HG2 MET A 5 -25.398 12.288 2.190 1.00 0.00 H new ATOM 0 HG3 MET A 5 -27.053 12.233 2.765 1.00 0.00 H new ATOM 0 HE1 MET A 5 -28.645 9.217 0.943 1.00 0.00 H new ATOM 0 HE2 MET A 5 -28.861 10.595 2.048 1.00 0.00 H new ATOM 0 HE3 MET A 5 -28.736 10.872 0.295 1.00 0.00 H new ATOM 59 N ASN A 6 -26.298 11.879 -1.885 1.00 0.00 N ATOM 60 CA ASN A 6 -26.184 10.666 -2.707 1.00 0.00 C ATOM 61 C ASN A 6 -25.357 10.852 -4.010 1.00 0.00 C ATOM 62 O ASN A 6 -25.367 9.983 -4.887 1.00 0.00 O ATOM 63 CB ASN A 6 -27.613 10.146 -2.974 1.00 0.00 C ATOM 64 CG ASN A 6 -27.646 8.698 -3.449 1.00 0.00 C ATOM 65 OD1 ASN A 6 -26.961 7.828 -2.927 1.00 0.00 O ATOM 66 ND2 ASN A 6 -28.451 8.386 -4.437 1.00 0.00 N ATOM 0 H ASN A 6 -27.185 12.362 -2.026 1.00 0.00 H new ATOM 0 HA ASN A 6 -25.608 9.923 -2.155 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -28.202 10.236 -2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -28.089 10.778 -3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -28.504 7.422 -4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -29.024 9.107 -4.875 1.00 0.00 H new ATOM 73 N LYS A 7 -24.659 11.986 -4.172 1.00 0.00 N ATOM 74 CA LYS A 7 -23.854 12.323 -5.362 1.00 0.00 C ATOM 75 C LYS A 7 -22.712 11.305 -5.589 1.00 0.00 C ATOM 76 O LYS A 7 -22.056 10.929 -4.611 1.00 0.00 O ATOM 77 CB LYS A 7 -23.326 13.761 -5.214 1.00 0.00 C ATOM 78 CG LYS A 7 -22.655 14.297 -6.490 1.00 0.00 C ATOM 79 CD LYS A 7 -22.226 15.760 -6.314 1.00 0.00 C ATOM 80 CE LYS A 7 -21.553 16.256 -7.599 1.00 0.00 C ATOM 81 NZ LYS A 7 -21.124 17.671 -7.490 1.00 0.00 N1+ ATOM 0 H LYS A 7 -24.637 12.716 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 7 -24.484 12.267 -6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -24.152 14.418 -4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -22.609 13.795 -4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.785 13.686 -6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -23.345 14.215 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -23.093 16.379 -6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -21.538 15.849 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -20.688 15.631 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -22.245 16.150 -8.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -20.674 17.967 -8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -21.953 18.272 -7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -20.444 17.768 -6.709 1.00 0.00 H new ATOM 95 N PRO A 8 -22.430 10.876 -6.840 1.00 0.00 N ATOM 96 CA PRO A 8 -21.339 9.944 -7.149 1.00 0.00 C ATOM 97 C PRO A 8 -19.947 10.432 -6.709 1.00 0.00 C ATOM 98 O PRO A 8 -19.673 11.637 -6.667 1.00 0.00 O ATOM 99 CB PRO A 8 -21.385 9.730 -8.667 1.00 0.00 C ATOM 100 CG PRO A 8 -22.850 9.984 -9.011 1.00 0.00 C ATOM 101 CD PRO A 8 -23.224 11.104 -8.042 1.00 0.00 C ATOM 0 HA PRO A 8 -21.488 9.021 -6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -20.723 10.419 -9.191 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -21.076 8.721 -8.941 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -22.977 10.287 -10.050 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -23.463 9.095 -8.861 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -23.008 12.082 -8.473 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -24.290 11.084 -7.815 1.00 0.00 H new ATOM 109 N THR A 9 -19.056 9.482 -6.398 1.00 0.00 N ATOM 110 CA THR A 9 -17.656 9.716 -5.976 1.00 0.00 C ATOM 111 C THR A 9 -17.569 10.663 -4.764 1.00 0.00 C ATOM 112 O THR A 9 -16.893 11.693 -4.782 1.00 0.00 O ATOM 113 CB THR A 9 -16.767 10.133 -7.171 1.00 0.00 C ATOM 114 OG1 THR A 9 -17.008 9.286 -8.282 1.00 0.00 O ATOM 115 CG2 THR A 9 -15.267 10.011 -6.881 1.00 0.00 C ATOM 0 H THR A 9 -19.292 8.490 -6.432 1.00 0.00 H new ATOM 0 HA THR A 9 -17.247 8.769 -5.623 1.00 0.00 H new ATOM 0 HB THR A 9 -17.024 11.174 -7.367 1.00 0.00 H new ATOM 0 HG1 THR A 9 -16.441 9.561 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 9 -14.700 10.319 -7.760 1.00 0.00 H new ATOM 0 HG22 THR A 9 -15.006 10.651 -6.038 1.00 0.00 H new ATOM 0 HG23 THR A 9 -15.026 8.976 -6.638 1.00 0.00 H new ATOM 123 N SER A 10 -18.331 10.348 -3.711 1.00 0.00 N ATOM 124 CA SER A 10 -18.434 11.131 -2.471 1.00 0.00 C ATOM 125 C SER A 10 -17.146 11.115 -1.624 1.00 0.00 C ATOM 126 O SER A 10 -16.237 10.305 -1.837 1.00 0.00 O ATOM 127 CB SER A 10 -19.617 10.612 -1.646 1.00 0.00 C ATOM 128 OG SER A 10 -19.386 9.275 -1.236 1.00 0.00 O ATOM 0 H SER A 10 -18.914 9.511 -3.697 1.00 0.00 H new ATOM 0 HA SER A 10 -18.592 12.170 -2.759 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.765 11.246 -0.772 1.00 0.00 H new ATOM 0 HB3 SER A 10 -20.531 10.665 -2.237 1.00 0.00 H new ATOM 0 HG SER A 10 -20.149 8.958 -0.709 1.00 0.00 H new ATOM 134 N SER A 11 -17.074 12.018 -0.640 1.00 0.00 N ATOM 135 CA SER A 11 -15.900 12.235 0.226 1.00 0.00 C ATOM 136 C SER A 11 -15.529 11.049 1.131 1.00 0.00 C ATOM 137 O SER A 11 -14.414 11.016 1.662 1.00 0.00 O ATOM 138 CB SER A 11 -16.125 13.490 1.082 1.00 0.00 C ATOM 139 OG SER A 11 -17.270 13.339 1.911 1.00 0.00 O ATOM 0 H SER A 11 -17.851 12.638 -0.414 1.00 0.00 H new ATOM 0 HA SER A 11 -15.053 12.357 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.246 13.677 1.699 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.251 14.358 0.436 1.00 0.00 H new ATOM 0 HG SER A 11 -17.394 14.149 2.449 1.00 0.00 H new ATOM 145 N ASP A 12 -16.405 10.049 1.280 1.00 0.00 N ATOM 146 CA ASP A 12 -16.136 8.776 1.975 1.00 0.00 C ATOM 147 C ASP A 12 -16.435 7.516 1.128 1.00 0.00 C ATOM 148 O ASP A 12 -16.066 6.410 1.529 1.00 0.00 O ATOM 149 CB ASP A 12 -16.851 8.749 3.337 1.00 0.00 C ATOM 150 CG ASP A 12 -18.394 8.813 3.303 1.00 0.00 C ATOM 151 OD1 ASP A 12 -19.008 8.825 4.397 1.00 0.00 O ATOM 152 OD2 ASP A 12 -19.013 8.829 2.213 1.00 0.00 O1- ATOM 0 H ASP A 12 -17.354 10.101 0.909 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.060 8.736 2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.558 7.838 3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.487 9.587 3.931 1.00 0.00 H new ATOM 157 N GLY A 13 -17.044 7.654 -0.057 1.00 0.00 N ATOM 158 CA GLY A 13 -17.292 6.549 -0.996 1.00 0.00 C ATOM 159 C GLY A 13 -16.037 6.075 -1.737 1.00 0.00 C ATOM 160 O GLY A 13 -15.925 4.895 -2.074 1.00 0.00 O ATOM 0 H GLY A 13 -17.385 8.553 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.719 5.708 -0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -18.037 6.865 -1.727 1.00 0.00 H new ATOM 164 N TRP A 14 -15.057 6.971 -1.935 1.00 0.00 N ATOM 165 CA TRP A 14 -13.769 6.657 -2.575 1.00 0.00 C ATOM 166 C TRP A 14 -12.925 5.647 -1.774 1.00 0.00 C ATOM 167 O TRP A 14 -12.111 4.926 -2.352 1.00 0.00 O ATOM 168 CB TRP A 14 -12.978 7.955 -2.807 1.00 0.00 C ATOM 169 CG TRP A 14 -12.249 8.520 -1.615 1.00 0.00 C ATOM 170 CD1 TRP A 14 -12.752 9.407 -0.735 1.00 0.00 C ATOM 171 CD2 TRP A 14 -10.898 8.216 -1.139 1.00 0.00 C ATOM 172 NE1 TRP A 14 -11.816 9.682 0.244 1.00 0.00 N ATOM 173 CE2 TRP A 14 -10.646 8.980 0.043 1.00 0.00 C ATOM 174 CE3 TRP A 14 -9.853 7.384 -1.597 1.00 0.00 C ATOM 175 CZ2 TRP A 14 -9.424 8.919 0.736 1.00 0.00 C ATOM 176 CZ3 TRP A 14 -8.628 7.301 -0.904 1.00 0.00 C ATOM 177 CH2 TRP A 14 -8.410 8.070 0.253 1.00 0.00 C ATOM 0 H TRP A 14 -15.138 7.947 -1.651 1.00 0.00 H new ATOM 0 HA TRP A 14 -13.991 6.180 -3.529 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -12.250 7.774 -3.598 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -13.668 8.714 -3.176 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -13.740 9.839 -0.787 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.971 10.325 1.020 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.995 6.800 -2.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.266 9.513 1.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.852 6.642 -1.264 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -7.464 8.009 0.771 1.00 0.00 H new ATOM 188 N LYS A 15 -13.135 5.564 -0.451 1.00 0.00 N ATOM 189 CA LYS A 15 -12.381 4.715 0.491 1.00 0.00 C ATOM 190 C LYS A 15 -12.501 3.231 0.128 1.00 0.00 C ATOM 191 O LYS A 15 -11.495 2.531 0.027 1.00 0.00 O ATOM 192 CB LYS A 15 -12.895 4.965 1.926 1.00 0.00 C ATOM 193 CG LYS A 15 -12.866 6.438 2.393 1.00 0.00 C ATOM 194 CD LYS A 15 -11.476 6.982 2.743 1.00 0.00 C ATOM 195 CE LYS A 15 -10.897 6.425 4.047 1.00 0.00 C ATOM 196 NZ LYS A 15 -11.652 6.880 5.247 1.00 0.00 N1+ ATOM 0 H LYS A 15 -13.863 6.107 0.013 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.325 4.980 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.920 4.600 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.297 4.371 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.296 7.060 1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.509 6.539 3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.791 6.752 1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.531 8.068 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.905 5.336 4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.855 6.733 4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.153 6.575 6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.725 7.917 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.606 6.466 5.235 1.00 0.00 H new ATOM 210 N ASP A 16 -13.725 2.773 -0.126 1.00 0.00 N ATOM 211 CA ASP A 16 -14.022 1.383 -0.515 1.00 0.00 C ATOM 212 C ASP A 16 -13.582 1.074 -1.957 1.00 0.00 C ATOM 213 O ASP A 16 -13.116 -0.030 -2.239 1.00 0.00 O ATOM 214 CB ASP A 16 -15.532 1.104 -0.364 1.00 0.00 C ATOM 215 CG ASP A 16 -16.068 1.198 1.078 1.00 0.00 C ATOM 216 OD1 ASP A 16 -15.274 1.115 2.048 1.00 0.00 O ATOM 217 OD2 ASP A 16 -17.304 1.324 1.249 1.00 0.00 O1- ATOM 0 H ASP A 16 -14.556 3.361 -0.068 1.00 0.00 H new ATOM 0 HA ASP A 16 -13.454 0.733 0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -16.081 1.810 -0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.743 0.107 -0.750 1.00 0.00 H new ATOM 222 N ASP A 17 -13.687 2.047 -2.867 1.00 0.00 N ATOM 223 CA ASP A 17 -13.226 1.909 -4.258 1.00 0.00 C ATOM 224 C ASP A 17 -11.693 1.787 -4.350 1.00 0.00 C ATOM 225 O ASP A 17 -11.167 0.961 -5.105 1.00 0.00 O ATOM 226 CB ASP A 17 -13.730 3.117 -5.067 1.00 0.00 C ATOM 227 CG ASP A 17 -13.495 2.977 -6.586 1.00 0.00 C ATOM 228 OD1 ASP A 17 -13.675 1.864 -7.139 1.00 0.00 O ATOM 229 OD2 ASP A 17 -13.178 3.998 -7.244 1.00 0.00 O1- ATOM 0 H ASP A 17 -14.096 2.959 -2.662 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.634 0.987 -4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.796 3.250 -4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.230 4.018 -4.711 1.00 0.00 H new ATOM 234 N TYR A 18 -10.966 2.553 -3.532 1.00 0.00 N ATOM 235 CA TYR A 18 -9.508 2.474 -3.429 1.00 0.00 C ATOM 236 C TYR A 18 -9.058 1.109 -2.879 1.00 0.00 C ATOM 237 O TYR A 18 -8.213 0.447 -3.477 1.00 0.00 O ATOM 238 CB TYR A 18 -8.975 3.649 -2.593 1.00 0.00 C ATOM 239 CG TYR A 18 -7.513 3.966 -2.839 1.00 0.00 C ATOM 240 CD1 TYR A 18 -6.534 3.709 -1.855 1.00 0.00 C ATOM 241 CD2 TYR A 18 -7.136 4.539 -4.071 1.00 0.00 C ATOM 242 CE1 TYR A 18 -5.181 4.009 -2.109 1.00 0.00 C ATOM 243 CE2 TYR A 18 -5.782 4.820 -4.333 1.00 0.00 C ATOM 244 CZ TYR A 18 -4.798 4.544 -3.361 1.00 0.00 C ATOM 245 OH TYR A 18 -3.492 4.790 -3.650 1.00 0.00 O ATOM 0 H TYR A 18 -11.379 3.253 -2.916 1.00 0.00 H new ATOM 0 HA TYR A 18 -9.079 2.557 -4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.570 4.536 -2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -9.114 3.423 -1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.823 3.282 -0.906 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.887 4.762 -4.814 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.436 3.830 -1.348 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.495 5.249 -5.282 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.421 5.155 -4.557 1.00 0.00 H new ATOM 255 N LEU A 19 -9.694 0.609 -1.815 1.00 0.00 N ATOM 256 CA LEU A 19 -9.478 -0.762 -1.321 1.00 0.00 C ATOM 257 C LEU A 19 -9.798 -1.819 -2.393 1.00 0.00 C ATOM 258 O LEU A 19 -9.001 -2.734 -2.611 1.00 0.00 O ATOM 259 CB LEU A 19 -10.313 -0.984 -0.046 1.00 0.00 C ATOM 260 CG LEU A 19 -9.510 -0.793 1.256 1.00 0.00 C ATOM 261 CD1 LEU A 19 -8.792 0.553 1.370 1.00 0.00 C ATOM 262 CD2 LEU A 19 -10.437 -0.940 2.459 1.00 0.00 C ATOM 0 H LEU A 19 -10.373 1.140 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.421 -0.880 -1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.156 -0.293 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.727 -1.992 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.740 -1.564 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.253 0.599 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.087 0.660 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.523 1.360 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.866 -0.804 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.224 -0.187 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.885 -1.934 2.454 1.00 0.00 H new ATOM 274 N SER A 20 -10.907 -1.680 -3.128 1.00 0.00 N ATOM 275 CA SER A 20 -11.273 -2.609 -4.205 1.00 0.00 C ATOM 276 C SER A 20 -10.196 -2.692 -5.294 1.00 0.00 C ATOM 277 O SER A 20 -9.823 -3.800 -5.681 1.00 0.00 O ATOM 278 CB SER A 20 -12.631 -2.237 -4.815 1.00 0.00 C ATOM 279 OG SER A 20 -13.010 -3.188 -5.804 1.00 0.00 O ATOM 0 H SER A 20 -11.576 -0.922 -2.994 1.00 0.00 H new ATOM 0 HA SER A 20 -11.353 -3.598 -3.754 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.389 -2.195 -4.033 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.577 -1.243 -5.259 1.00 0.00 H new ATOM 0 HG SER A 20 -13.879 -2.938 -6.182 1.00 0.00 H new ATOM 285 N ARG A 21 -9.643 -1.560 -5.755 1.00 0.00 N ATOM 286 CA ARG A 21 -8.579 -1.551 -6.780 1.00 0.00 C ATOM 287 C ARG A 21 -7.207 -1.980 -6.251 1.00 0.00 C ATOM 288 O ARG A 21 -6.469 -2.649 -6.972 1.00 0.00 O ATOM 289 CB ARG A 21 -8.541 -0.203 -7.526 1.00 0.00 C ATOM 290 CG ARG A 21 -7.758 0.933 -6.841 1.00 0.00 C ATOM 291 CD ARG A 21 -7.827 2.245 -7.636 1.00 0.00 C ATOM 292 NE ARG A 21 -7.100 2.144 -8.917 1.00 0.00 N ATOM 293 CZ ARG A 21 -7.080 3.048 -9.881 1.00 0.00 C ATOM 294 NH1 ARG A 21 -7.711 4.184 -9.780 1.00 0.00 N1+ ATOM 295 NH2 ARG A 21 -6.412 2.823 -10.975 1.00 0.00 N ATOM 0 H ARG A 21 -9.915 -0.631 -5.434 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.841 -2.321 -7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.109 -0.370 -8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.567 0.132 -7.680 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.157 1.095 -5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.716 0.635 -6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.869 2.500 -7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.405 3.054 -7.040 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.560 1.293 -9.073 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.243 4.399 -8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.673 4.858 -10.545 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.902 1.947 -11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.398 3.522 -11.717 1.00 0.00 H new ATOM 309 N LEU A 22 -6.871 -1.655 -5.001 1.00 0.00 N ATOM 310 CA LEU A 22 -5.611 -2.051 -4.354 1.00 0.00 C ATOM 311 C LEU A 22 -5.484 -3.578 -4.202 1.00 0.00 C ATOM 312 O LEU A 22 -4.402 -4.128 -4.414 1.00 0.00 O ATOM 313 CB LEU A 22 -5.505 -1.382 -2.972 1.00 0.00 C ATOM 314 CG LEU A 22 -4.668 -0.093 -2.916 1.00 0.00 C ATOM 315 CD1 LEU A 22 -4.953 0.949 -4.004 1.00 0.00 C ATOM 316 CD2 LEU A 22 -4.894 0.558 -1.553 1.00 0.00 C ATOM 0 H LEU A 22 -7.476 -1.099 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.796 -1.719 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.512 -1.155 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.078 -2.101 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.638 -0.407 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.303 1.812 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.765 0.512 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.994 1.265 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.310 1.476 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.952 0.791 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.581 -0.128 -0.766 1.00 0.00 H new ATOM 328 N SER A 23 -6.585 -4.266 -3.897 1.00 0.00 N ATOM 329 CA SER A 23 -6.624 -5.730 -3.767 1.00 0.00 C ATOM 330 C SER A 23 -6.202 -6.481 -5.050 1.00 0.00 C ATOM 331 O SER A 23 -5.742 -7.624 -4.971 1.00 0.00 O ATOM 332 CB SER A 23 -8.038 -6.149 -3.343 1.00 0.00 C ATOM 333 OG SER A 23 -8.079 -7.515 -2.963 1.00 0.00 O ATOM 0 H SER A 23 -7.487 -3.821 -3.731 1.00 0.00 H new ATOM 0 HA SER A 23 -5.891 -6.009 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.369 -5.528 -2.511 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.732 -5.977 -4.165 1.00 0.00 H new ATOM 0 HG SER A 23 -8.991 -7.753 -2.696 1.00 0.00 H new ATOM 339 N ARG A 24 -6.316 -5.857 -6.230 1.00 0.00 N ATOM 340 CA ARG A 24 -6.058 -6.484 -7.545 1.00 0.00 C ATOM 341 C ARG A 24 -4.569 -6.644 -7.872 1.00 0.00 C ATOM 342 O ARG A 24 -4.207 -7.475 -8.705 1.00 0.00 O ATOM 343 CB ARG A 24 -6.743 -5.676 -8.666 1.00 0.00 C ATOM 344 CG ARG A 24 -8.186 -5.229 -8.373 1.00 0.00 C ATOM 345 CD ARG A 24 -9.101 -6.357 -7.884 1.00 0.00 C ATOM 346 NE ARG A 24 -10.435 -5.826 -7.538 1.00 0.00 N ATOM 347 CZ ARG A 24 -11.626 -6.302 -7.839 1.00 0.00 C ATOM 348 NH1 ARG A 24 -11.790 -7.372 -8.570 1.00 0.00 N1+ ATOM 349 NH2 ARG A 24 -12.695 -5.691 -7.407 1.00 0.00 N ATOM 0 H ARG A 24 -6.596 -4.879 -6.305 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.478 -7.488 -7.484 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.141 -4.791 -8.871 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.745 -6.278 -9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.165 -4.440 -7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.612 -4.796 -9.278 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.196 -7.118 -8.658 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.658 -6.841 -7.013 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.434 -4.968 -6.987 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.978 -7.872 -8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.730 -7.707 -8.780 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.606 -4.849 -6.839 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.619 -6.056 -7.638 1.00 0.00 H new ATOM 363 N LEU A 25 -3.714 -5.846 -7.238 1.00 0.00 N ATOM 364 CA LEU A 25 -2.257 -5.852 -7.430 1.00 0.00 C ATOM 365 C LEU A 25 -1.592 -7.130 -6.875 1.00 0.00 C ATOM 366 O LEU A 25 -1.961 -7.645 -5.818 1.00 0.00 O ATOM 367 CB LEU A 25 -1.593 -4.601 -6.810 1.00 0.00 C ATOM 368 CG LEU A 25 -1.791 -3.235 -7.504 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.839 -3.306 -9.034 1.00 0.00 C ATOM 370 CD2 LEU A 25 -3.035 -2.505 -7.011 1.00 0.00 C ATOM 0 H LEU A 25 -4.020 -5.154 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.098 -5.834 -8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.956 -4.507 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.521 -4.790 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.899 -2.675 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.980 -2.305 -9.440 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.903 -3.721 -9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.668 -3.943 -9.343 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.127 -1.551 -7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.917 -3.114 -7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.952 -2.327 -5.939 1.00 0.00 H new ATOM 382 N SER A 26 -0.561 -7.597 -7.585 1.00 0.00 N ATOM 383 CA SER A 26 0.366 -8.646 -7.128 1.00 0.00 C ATOM 384 C SER A 26 1.293 -8.141 -6.001 1.00 0.00 C ATOM 385 O SER A 26 1.395 -6.936 -5.755 1.00 0.00 O ATOM 386 CB SER A 26 1.174 -9.151 -8.335 1.00 0.00 C ATOM 387 OG SER A 26 2.009 -10.245 -7.976 1.00 0.00 O ATOM 0 H SER A 26 -0.339 -7.250 -8.518 1.00 0.00 H new ATOM 0 HA SER A 26 -0.209 -9.470 -6.705 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.493 -9.456 -9.130 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.784 -8.340 -8.732 1.00 0.00 H new ATOM 0 HG SER A 26 2.509 -10.547 -8.763 1.00 0.00 H new ATOM 393 N LYS A 27 2.003 -9.049 -5.316 1.00 0.00 N ATOM 394 CA LYS A 27 2.828 -8.761 -4.127 1.00 0.00 C ATOM 395 C LYS A 27 3.943 -7.733 -4.382 1.00 0.00 C ATOM 396 O LYS A 27 4.190 -6.876 -3.535 1.00 0.00 O ATOM 397 CB LYS A 27 3.387 -10.093 -3.580 1.00 0.00 C ATOM 398 CG LYS A 27 3.899 -10.021 -2.130 1.00 0.00 C ATOM 399 CD LYS A 27 2.760 -9.939 -1.098 1.00 0.00 C ATOM 400 CE LYS A 27 3.256 -9.683 0.335 1.00 0.00 C ATOM 401 NZ LYS A 27 4.117 -10.779 0.855 1.00 0.00 N1+ ATOM 0 H LYS A 27 2.022 -10.034 -5.579 1.00 0.00 H new ATOM 0 HA LYS A 27 2.189 -8.290 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.607 -10.852 -3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.202 -10.423 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.510 -10.899 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.545 -9.150 -2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.075 -9.142 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.193 -10.870 -1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.814 -8.747 0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.397 -9.559 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.421 -10.552 1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.580 -11.669 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.953 -10.883 0.245 1.00 0.00 H new ATOM 415 N ASN A 28 4.574 -7.766 -5.557 1.00 0.00 N ATOM 416 CA ASN A 28 5.556 -6.764 -5.989 1.00 0.00 C ATOM 417 C ASN A 28 4.907 -5.405 -6.328 1.00 0.00 C ATOM 418 O ASN A 28 5.425 -4.352 -5.960 1.00 0.00 O ATOM 419 CB ASN A 28 6.318 -7.344 -7.195 1.00 0.00 C ATOM 420 CG ASN A 28 7.378 -6.386 -7.721 1.00 0.00 C ATOM 421 OD1 ASN A 28 7.149 -5.616 -8.643 1.00 0.00 O ATOM 422 ND2 ASN A 28 8.561 -6.390 -7.142 1.00 0.00 N ATOM 0 H ASN A 28 4.416 -8.500 -6.247 1.00 0.00 H new ATOM 0 HA ASN A 28 6.244 -6.557 -5.169 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.790 -8.283 -6.907 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.611 -7.574 -7.992 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.288 -5.750 -7.463 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.750 -7.033 -6.373 1.00 0.00 H new ATOM 429 N GLN A 29 3.749 -5.429 -6.996 1.00 0.00 N ATOM 430 CA GLN A 29 3.029 -4.233 -7.457 1.00 0.00 C ATOM 431 C GLN A 29 2.443 -3.409 -6.302 1.00 0.00 C ATOM 432 O GLN A 29 2.586 -2.185 -6.295 1.00 0.00 O ATOM 433 CB GLN A 29 1.919 -4.662 -8.430 1.00 0.00 C ATOM 434 CG GLN A 29 2.437 -5.286 -9.738 1.00 0.00 C ATOM 435 CD GLN A 29 1.332 -5.944 -10.568 1.00 0.00 C ATOM 436 OE1 GLN A 29 0.266 -6.295 -10.080 1.00 0.00 O ATOM 437 NE2 GLN A 29 1.545 -6.160 -11.851 1.00 0.00 N ATOM 0 H GLN A 29 3.274 -6.299 -7.238 1.00 0.00 H new ATOM 0 HA GLN A 29 3.745 -3.585 -7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.270 -5.380 -7.930 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.307 -3.793 -8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.921 -4.513 -10.336 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.198 -6.030 -9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.427 -5.875 -12.277 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.828 -6.612 -12.418 1.00 0.00 H new ATOM 446 N LEU A 30 1.851 -4.056 -5.292 1.00 0.00 N ATOM 447 CA LEU A 30 1.358 -3.376 -4.079 1.00 0.00 C ATOM 448 C LEU A 30 2.497 -2.741 -3.261 1.00 0.00 C ATOM 449 O LEU A 30 2.316 -1.663 -2.693 1.00 0.00 O ATOM 450 CB LEU A 30 0.446 -4.312 -3.251 1.00 0.00 C ATOM 451 CG LEU A 30 1.083 -5.587 -2.654 1.00 0.00 C ATOM 452 CD1 LEU A 30 1.734 -5.376 -1.280 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.016 -6.678 -2.518 1.00 0.00 C ATOM 0 H LEU A 30 1.698 -5.064 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 30 0.736 -2.538 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.025 -3.731 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.386 -4.618 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 30 1.875 -5.877 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.158 -6.317 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.525 -4.630 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.982 -5.030 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.466 -7.577 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.780 -6.329 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.399 -6.906 -3.500 1.00 0.00 H new ATOM 465 N MET A 31 3.687 -3.358 -3.254 1.00 0.00 N ATOM 466 CA MET A 31 4.882 -2.773 -2.637 1.00 0.00 C ATOM 467 C MET A 31 5.389 -1.552 -3.411 1.00 0.00 C ATOM 468 O MET A 31 5.659 -0.523 -2.796 1.00 0.00 O ATOM 469 CB MET A 31 5.993 -3.820 -2.498 1.00 0.00 C ATOM 470 CG MET A 31 5.852 -4.593 -1.182 1.00 0.00 C ATOM 471 SD MET A 31 7.247 -5.675 -0.795 1.00 0.00 S ATOM 472 CE MET A 31 6.866 -7.081 -1.858 1.00 0.00 C ATOM 0 H MET A 31 3.846 -4.273 -3.675 1.00 0.00 H new ATOM 0 HA MET A 31 4.595 -2.434 -1.642 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.953 -4.513 -3.338 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.966 -3.331 -2.535 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.725 -3.879 -0.368 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.943 -5.194 -1.224 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.550 -7.900 -1.637 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.841 -7.406 -1.678 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.976 -6.788 -2.902 1.00 0.00 H new ATOM 482 N ALA A 32 5.472 -1.629 -4.741 1.00 0.00 N ATOM 483 CA ALA A 32 5.869 -0.506 -5.589 1.00 0.00 C ATOM 484 C ALA A 32 4.916 0.700 -5.450 1.00 0.00 C ATOM 485 O ALA A 32 5.375 1.841 -5.352 1.00 0.00 O ATOM 486 CB ALA A 32 5.952 -1.004 -7.039 1.00 0.00 C ATOM 0 H ALA A 32 5.264 -2.480 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 32 6.845 -0.142 -5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.247 -0.181 -7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.690 -1.803 -7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.978 -1.382 -7.350 1.00 0.00 H new ATOM 492 N LEU A 33 3.602 0.451 -5.357 1.00 0.00 N ATOM 493 CA LEU A 33 2.579 1.473 -5.118 1.00 0.00 C ATOM 494 C LEU A 33 2.731 2.142 -3.740 1.00 0.00 C ATOM 495 O LEU A 33 2.784 3.371 -3.660 1.00 0.00 O ATOM 496 CB LEU A 33 1.194 0.821 -5.306 1.00 0.00 C ATOM 497 CG LEU A 33 -0.010 1.735 -4.994 1.00 0.00 C ATOM 498 CD1 LEU A 33 -0.068 2.955 -5.918 1.00 0.00 C ATOM 499 CD2 LEU A 33 -1.296 0.933 -5.158 1.00 0.00 C ATOM 0 H LEU A 33 3.215 -0.488 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 33 2.699 2.282 -5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.110 0.475 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.135 -0.061 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 33 0.104 2.095 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.932 3.567 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.842 3.544 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.155 2.624 -6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.153 1.570 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.368 0.566 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.288 0.088 -4.470 1.00 0.00 H new ATOM 511 N ALA A 34 2.844 1.353 -2.663 1.00 0.00 N ATOM 512 CA ALA A 34 3.002 1.885 -1.307 1.00 0.00 C ATOM 513 C ALA A 34 4.340 2.638 -1.115 1.00 0.00 C ATOM 514 O ALA A 34 4.358 3.681 -0.469 1.00 0.00 O ATOM 515 CB ALA A 34 2.838 0.727 -0.316 1.00 0.00 C ATOM 0 H ALA A 34 2.828 0.334 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 34 2.232 2.634 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.952 1.100 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.848 0.286 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.597 -0.030 -0.512 1.00 0.00 H new ATOM 521 N LEU A 35 5.431 2.177 -1.737 1.00 0.00 N ATOM 522 CA LEU A 35 6.730 2.864 -1.751 1.00 0.00 C ATOM 523 C LEU A 35 6.649 4.211 -2.498 1.00 0.00 C ATOM 524 O LEU A 35 7.120 5.229 -1.989 1.00 0.00 O ATOM 525 CB LEU A 35 7.759 1.887 -2.355 1.00 0.00 C ATOM 526 CG LEU A 35 9.259 2.243 -2.301 1.00 0.00 C ATOM 527 CD1 LEU A 35 9.644 3.455 -3.145 1.00 0.00 C ATOM 528 CD2 LEU A 35 9.760 2.451 -0.872 1.00 0.00 C ATOM 0 H LEU A 35 5.437 1.299 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 35 7.044 3.129 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.632 0.927 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.495 1.739 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 35 9.748 1.371 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.715 3.638 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.398 3.264 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.095 4.330 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.821 2.699 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.205 3.266 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.612 1.537 -0.298 1.00 0.00 H new ATOM 540 N LYS A 36 5.985 4.253 -3.663 1.00 0.00 N ATOM 541 CA LYS A 36 5.734 5.489 -4.433 1.00 0.00 C ATOM 542 C LYS A 36 4.896 6.512 -3.664 1.00 0.00 C ATOM 543 O LYS A 36 5.165 7.715 -3.736 1.00 0.00 O ATOM 544 CB LYS A 36 5.088 5.109 -5.778 1.00 0.00 C ATOM 545 CG LYS A 36 4.907 6.316 -6.717 1.00 0.00 C ATOM 546 CD LYS A 36 4.426 5.914 -8.119 1.00 0.00 C ATOM 547 CE LYS A 36 3.033 5.265 -8.097 1.00 0.00 C ATOM 548 NZ LYS A 36 2.568 4.944 -9.474 1.00 0.00 N1+ ATOM 0 H LYS A 36 5.600 3.419 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 36 6.688 5.985 -4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.705 4.359 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.117 4.650 -5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.190 7.008 -6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.854 6.849 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.403 6.796 -8.759 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.141 5.219 -8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.062 4.354 -7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.322 5.939 -7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.625 4.507 -9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.518 5.818 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.235 4.283 -9.920 1.00 0.00 H new ATOM 562 N LEU A 37 3.909 6.059 -2.891 1.00 0.00 N ATOM 563 CA LEU A 37 3.154 6.889 -1.946 1.00 0.00 C ATOM 564 C LEU A 37 4.022 7.375 -0.771 1.00 0.00 C ATOM 565 O LEU A 37 3.926 8.543 -0.388 1.00 0.00 O ATOM 566 CB LEU A 37 1.941 6.081 -1.443 1.00 0.00 C ATOM 567 CG LEU A 37 0.601 6.405 -2.125 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.650 6.377 -3.655 1.00 0.00 C ATOM 569 CD2 LEU A 37 -0.439 5.383 -1.669 1.00 0.00 C ATOM 0 H LEU A 37 3.604 5.086 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 37 2.816 7.787 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.151 5.020 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.833 6.249 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 37 0.348 7.424 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.335 6.616 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.374 7.111 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.947 5.384 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.395 5.600 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.113 4.382 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.552 5.437 -0.586 1.00 0.00 H new ATOM 581 N LYS A 38 4.884 6.511 -0.214 1.00 0.00 N ATOM 582 CA LYS A 38 5.722 6.851 0.949 1.00 0.00 C ATOM 583 C LYS A 38 6.784 7.898 0.628 1.00 0.00 C ATOM 584 O LYS A 38 6.928 8.851 1.388 1.00 0.00 O ATOM 585 CB LYS A 38 6.351 5.583 1.562 1.00 0.00 C ATOM 586 CG LYS A 38 7.010 5.825 2.936 1.00 0.00 C ATOM 587 CD LYS A 38 6.020 6.312 4.002 1.00 0.00 C ATOM 588 CE LYS A 38 6.676 6.440 5.379 1.00 0.00 C ATOM 589 NZ LYS A 38 5.697 6.924 6.386 1.00 0.00 N1+ ATOM 0 H LYS A 38 5.021 5.559 -0.555 1.00 0.00 H new ATOM 0 HA LYS A 38 5.063 7.302 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.580 4.819 1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.099 5.189 0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.475 4.900 3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.807 6.561 2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.612 7.278 3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.182 5.617 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.075 5.474 5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.518 7.130 5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.206 7.307 7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.107 7.670 5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.092 6.134 6.690 1.00 0.00 H new ATOM 603 N GLN A 39 7.501 7.770 -0.491 1.00 0.00 N ATOM 604 CA GLN A 39 8.553 8.737 -0.855 1.00 0.00 C ATOM 605 C GLN A 39 7.991 10.150 -1.090 1.00 0.00 C ATOM 606 O GLN A 39 8.644 11.136 -0.751 1.00 0.00 O ATOM 607 CB GLN A 39 9.365 8.226 -2.060 1.00 0.00 C ATOM 608 CG GLN A 39 8.600 8.171 -3.392 1.00 0.00 C ATOM 609 CD GLN A 39 9.495 7.736 -4.551 1.00 0.00 C ATOM 610 OE1 GLN A 39 9.751 6.455 -4.706 1.00 0.00 O flip ATOM 611 NE2 GLN A 39 9.992 8.541 -5.331 1.00 0.00 N flip ATOM 0 H GLN A 39 7.377 7.011 -1.162 1.00 0.00 H new ATOM 0 HA GLN A 39 9.233 8.822 -0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.237 8.867 -2.187 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.734 7.227 -1.831 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.763 7.478 -3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.179 9.153 -3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.803 9.538 -5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.594 8.214 -6.087 1.00 0.00 H new ATOM 620 N GLN A 40 6.751 10.261 -1.594 1.00 0.00 N ATOM 621 CA GLN A 40 6.073 11.543 -1.815 1.00 0.00 C ATOM 622 C GLN A 40 5.826 12.320 -0.512 1.00 0.00 C ATOM 623 O GLN A 40 6.059 13.526 -0.469 1.00 0.00 O ATOM 624 CB GLN A 40 4.749 11.300 -2.560 1.00 0.00 C ATOM 625 CG GLN A 40 4.960 11.202 -4.081 1.00 0.00 C ATOM 626 CD GLN A 40 3.661 10.866 -4.804 1.00 0.00 C ATOM 627 OE1 GLN A 40 2.956 11.720 -5.325 1.00 0.00 O ATOM 628 NE2 GLN A 40 3.284 9.603 -4.843 1.00 0.00 N ATOM 0 H GLN A 40 6.188 9.454 -1.861 1.00 0.00 H new ATOM 0 HA GLN A 40 6.732 12.164 -2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.291 10.380 -2.196 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.054 12.111 -2.341 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.353 12.147 -4.457 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.706 10.438 -4.297 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.865 8.884 -4.412 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.412 9.345 -5.305 1.00 0.00 H new ATOM 637 N GLN A 41 5.394 11.642 0.553 1.00 0.00 N ATOM 638 CA GLN A 41 5.270 12.267 1.876 1.00 0.00 C ATOM 639 C GLN A 41 6.634 12.445 2.576 1.00 0.00 C ATOM 640 O GLN A 41 6.870 13.487 3.189 1.00 0.00 O ATOM 641 CB GLN A 41 4.236 11.529 2.743 1.00 0.00 C ATOM 642 CG GLN A 41 4.560 10.065 3.082 1.00 0.00 C ATOM 643 CD GLN A 41 3.650 9.488 4.164 1.00 0.00 C ATOM 644 OE1 GLN A 41 4.106 8.979 5.182 1.00 0.00 O ATOM 645 NE2 GLN A 41 2.344 9.550 4.012 1.00 0.00 N ATOM 0 H GLN A 41 5.123 10.659 0.527 1.00 0.00 H new ATOM 0 HA GLN A 41 4.891 13.278 1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.116 12.079 3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.275 11.558 2.230 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.471 9.460 2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.597 9.995 3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.948 9.970 3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.728 9.178 4.735 1.00 0.00 H new ATOM 654 N LEU A 42 7.555 11.480 2.471 1.00 0.00 N ATOM 655 CA LEU A 42 8.834 11.477 3.185 1.00 0.00 C ATOM 656 C LEU A 42 9.798 12.594 2.738 1.00 0.00 C ATOM 657 O LEU A 42 10.450 13.224 3.574 1.00 0.00 O ATOM 658 CB LEU A 42 9.473 10.087 3.019 1.00 0.00 C ATOM 659 CG LEU A 42 10.587 9.800 4.039 1.00 0.00 C ATOM 660 CD1 LEU A 42 9.986 9.570 5.421 1.00 0.00 C ATOM 661 CD2 LEU A 42 11.341 8.534 3.637 1.00 0.00 C ATOM 0 H LEU A 42 7.428 10.663 1.874 1.00 0.00 H new ATOM 0 HA LEU A 42 8.635 11.687 4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.699 9.326 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.882 10.001 2.012 1.00 0.00 H new ATOM 0 HG LEU A 42 11.262 10.656 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.784 9.368 6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.437 10.459 5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.306 8.719 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.130 8.334 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.650 7.692 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.782 8.671 2.650 1.00 0.00 H new ATOM 673 N GLU A 43 9.846 12.897 1.439 1.00 0.00 N ATOM 674 CA GLU A 43 10.615 14.030 0.882 1.00 0.00 C ATOM 675 C GLU A 43 10.068 15.417 1.299 1.00 0.00 C ATOM 676 O GLU A 43 10.747 16.434 1.119 1.00 0.00 O ATOM 677 CB GLU A 43 10.665 13.918 -0.652 1.00 0.00 C ATOM 678 CG GLU A 43 11.558 12.771 -1.163 1.00 0.00 C ATOM 679 CD GLU A 43 13.056 12.946 -0.824 1.00 0.00 C ATOM 680 OE1 GLU A 43 13.737 11.919 -0.582 1.00 0.00 O ATOM 681 OE2 GLU A 43 13.574 14.091 -0.818 1.00 0.00 O1- ATOM 0 H GLU A 43 9.348 12.360 0.729 1.00 0.00 H new ATOM 0 HA GLU A 43 11.619 13.962 1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.653 13.774 -1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.028 14.860 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.206 11.832 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.447 12.691 -2.244 1.00 0.00 H new ATOM 688 N GLN A 44 8.859 15.466 1.872 1.00 0.00 N ATOM 689 CA GLN A 44 8.166 16.678 2.333 1.00 0.00 C ATOM 690 C GLN A 44 7.986 16.738 3.869 1.00 0.00 C ATOM 691 O GLN A 44 7.299 17.626 4.390 1.00 0.00 O ATOM 692 CB GLN A 44 6.825 16.808 1.581 1.00 0.00 C ATOM 693 CG GLN A 44 7.015 16.914 0.056 1.00 0.00 C ATOM 694 CD GLN A 44 5.690 17.171 -0.650 1.00 0.00 C ATOM 695 OE1 GLN A 44 5.279 18.304 -0.877 1.00 0.00 O ATOM 696 NE2 GLN A 44 4.967 16.137 -1.020 1.00 0.00 N ATOM 0 H GLN A 44 8.310 14.622 2.035 1.00 0.00 H new ATOM 0 HA GLN A 44 8.795 17.537 2.099 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.199 15.945 1.807 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.294 17.689 1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.713 17.720 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.459 15.993 -0.322 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.299 15.190 -0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.074 16.282 -1.491 1.00 0.00 H new ATOM 705 N GLY A 45 8.604 15.804 4.612 1.00 0.00 N ATOM 706 CA GLY A 45 8.569 15.714 6.083 1.00 0.00 C ATOM 707 C GLY A 45 9.313 16.846 6.797 1.00 0.00 C ATOM 708 O GLY A 45 10.498 17.083 6.472 1.00 0.00 O ATOM 709 OXT GLY A 45 8.713 17.470 7.702 1.00 0.00 O1- ATOM 0 H GLY A 45 9.163 15.063 4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.530 15.713 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.001 14.761 6.388 1.00 0.00 H new TER 713 GLY A 45 ATOM 714 N GLY B 101 21.609 15.756 25.108 1.00 0.00 N ATOM 715 CA GLY B 101 22.320 16.392 23.975 1.00 0.00 C ATOM 716 C GLY B 101 21.754 15.970 22.625 1.00 0.00 C ATOM 717 O GLY B 101 21.106 14.923 22.524 1.00 0.00 O ATOM 0 HA2 GLY B 101 22.255 17.476 24.071 1.00 0.00 H new ATOM 0 HA3 GLY B 101 23.377 16.131 24.020 1.00 0.00 H new ATOM 723 N PRO B 102 21.984 16.766 21.564 1.00 0.00 N ATOM 724 CA PRO B 102 21.440 16.526 20.219 1.00 0.00 C ATOM 725 C PRO B 102 22.132 15.393 19.434 1.00 0.00 C ATOM 726 O PRO B 102 21.615 14.962 18.396 1.00 0.00 O ATOM 727 CB PRO B 102 21.598 17.873 19.494 1.00 0.00 C ATOM 728 CG PRO B 102 22.861 18.456 20.128 1.00 0.00 C ATOM 729 CD PRO B 102 22.743 18.012 21.587 1.00 0.00 C ATOM 0 HA PRO B 102 20.407 16.185 20.293 1.00 0.00 H new ATOM 0 HB2 PRO B 102 21.710 17.742 18.418 1.00 0.00 H new ATOM 0 HB3 PRO B 102 20.733 18.519 19.648 1.00 0.00 H new ATOM 0 HG2 PRO B 102 23.765 18.068 19.659 1.00 0.00 H new ATOM 0 HG3 PRO B 102 22.895 19.542 20.037 1.00 0.00 H new ATOM 0 HD2 PRO B 102 23.727 17.862 22.031 1.00 0.00 H new ATOM 0 HD3 PRO B 102 22.235 18.768 22.186 1.00 0.00 H new ATOM 737 N GLY B 103 23.288 14.901 19.892 1.00 0.00 N ATOM 738 CA GLY B 103 24.111 13.930 19.161 1.00 0.00 C ATOM 739 C GLY B 103 24.833 14.593 17.980 1.00 0.00 C ATOM 740 O GLY B 103 25.716 15.430 18.175 1.00 0.00 O ATOM 0 H GLY B 103 23.684 15.169 20.793 1.00 0.00 H new ATOM 0 HA2 GLY B 103 24.843 13.488 19.837 1.00 0.00 H new ATOM 0 HA3 GLY B 103 23.482 13.117 18.797 1.00 0.00 H new ATOM 744 N SER B 104 24.446 14.231 16.751 1.00 0.00 N ATOM 745 CA SER B 104 24.950 14.835 15.509 1.00 0.00 C ATOM 746 C SER B 104 23.889 14.836 14.401 1.00 0.00 C ATOM 747 O SER B 104 23.087 13.907 14.279 1.00 0.00 O ATOM 748 CB SER B 104 26.211 14.095 15.041 1.00 0.00 C ATOM 749 OG SER B 104 26.700 14.641 13.827 1.00 0.00 O ATOM 0 H SER B 104 23.759 13.495 16.587 1.00 0.00 H new ATOM 0 HA SER B 104 25.198 15.875 15.721 1.00 0.00 H new ATOM 0 HB2 SER B 104 26.981 14.160 15.809 1.00 0.00 H new ATOM 0 HB3 SER B 104 25.986 13.037 14.904 1.00 0.00 H new ATOM 0 HG SER B 104 27.504 14.154 13.550 1.00 0.00 H new ATOM 755 N MET B 105 23.894 15.893 13.576 1.00 0.00 N ATOM 756 CA MET B 105 23.023 16.052 12.400 1.00 0.00 C ATOM 757 C MET B 105 23.571 15.373 11.128 1.00 0.00 C ATOM 758 O MET B 105 22.983 15.509 10.049 1.00 0.00 O ATOM 759 CB MET B 105 22.707 17.541 12.170 1.00 0.00 C ATOM 760 CG MET B 105 22.032 18.212 13.383 1.00 0.00 C ATOM 761 SD MET B 105 20.407 17.532 13.829 1.00 0.00 S ATOM 762 CE MET B 105 20.035 18.573 15.260 1.00 0.00 C ATOM 0 H MET B 105 24.522 16.685 13.712 1.00 0.00 H new ATOM 0 HA MET B 105 22.093 15.527 12.620 1.00 0.00 H new ATOM 0 HB2 MET B 105 23.631 18.070 11.937 1.00 0.00 H new ATOM 0 HB3 MET B 105 22.057 17.638 11.301 1.00 0.00 H new ATOM 0 HG2 MET B 105 22.695 18.124 14.244 1.00 0.00 H new ATOM 0 HG3 MET B 105 21.919 19.276 13.175 1.00 0.00 H new ATOM 0 HE1 MET B 105 19.064 18.295 15.669 1.00 0.00 H new ATOM 0 HE2 MET B 105 20.803 18.433 16.021 1.00 0.00 H new ATOM 0 HE3 MET B 105 20.014 19.619 14.953 1.00 0.00 H new ATOM 772 N ASN B 106 24.693 14.651 11.226 1.00 0.00 N ATOM 773 CA ASN B 106 25.298 13.880 10.128 1.00 0.00 C ATOM 774 C ASN B 106 24.354 12.782 9.587 1.00 0.00 C ATOM 775 O ASN B 106 23.563 12.197 10.332 1.00 0.00 O ATOM 776 CB ASN B 106 26.634 13.300 10.627 1.00 0.00 C ATOM 777 CG ASN B 106 27.442 12.609 9.536 1.00 0.00 C ATOM 778 OD1 ASN B 106 27.520 13.069 8.405 1.00 0.00 O ATOM 779 ND2 ASN B 106 28.055 11.481 9.823 1.00 0.00 N ATOM 0 H ASN B 106 25.222 14.583 12.095 1.00 0.00 H new ATOM 0 HA ASN B 106 25.479 14.542 9.281 1.00 0.00 H new ATOM 0 HB2 ASN B 106 27.232 14.104 11.057 1.00 0.00 H new ATOM 0 HB3 ASN B 106 26.435 12.587 11.427 1.00 0.00 H new ATOM 0 HD21 ASN B 106 28.592 10.995 9.104 1.00 0.00 H new ATOM 0 HD22 ASN B 106 27.994 11.092 10.764 1.00 0.00 H new ATOM 786 N LYS B 107 24.458 12.492 8.284 1.00 0.00 N ATOM 787 CA LYS B 107 23.577 11.590 7.508 1.00 0.00 C ATOM 788 C LYS B 107 24.395 10.630 6.621 1.00 0.00 C ATOM 789 O LYS B 107 25.534 10.955 6.269 1.00 0.00 O ATOM 790 CB LYS B 107 22.597 12.446 6.677 1.00 0.00 C ATOM 791 CG LYS B 107 21.471 13.042 7.544 1.00 0.00 C ATOM 792 CD LYS B 107 20.601 14.050 6.779 1.00 0.00 C ATOM 793 CE LYS B 107 21.314 15.378 6.471 1.00 0.00 C ATOM 794 NZ LYS B 107 21.498 16.213 7.692 1.00 0.00 N1+ ATOM 0 H LYS B 107 25.195 12.898 7.707 1.00 0.00 H new ATOM 0 HA LYS B 107 23.007 10.962 8.192 1.00 0.00 H new ATOM 0 HB2 LYS B 107 23.144 13.253 6.189 1.00 0.00 H new ATOM 0 HB3 LYS B 107 22.161 11.834 5.888 1.00 0.00 H new ATOM 0 HG2 LYS B 107 20.841 12.235 7.918 1.00 0.00 H new ATOM 0 HG3 LYS B 107 21.909 13.533 8.413 1.00 0.00 H new ATOM 0 HD2 LYS B 107 20.276 13.597 5.842 1.00 0.00 H new ATOM 0 HD3 LYS B 107 19.703 14.257 7.362 1.00 0.00 H new ATOM 0 HE2 LYS B 107 22.286 15.171 6.024 1.00 0.00 H new ATOM 0 HE3 LYS B 107 20.737 15.936 5.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 21.967 17.105 7.435 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 20.570 16.419 8.115 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 22.085 15.699 8.379 1.00 0.00 H new ATOM 808 N PRO B 108 23.854 9.443 6.253 1.00 0.00 N ATOM 809 CA PRO B 108 24.577 8.432 5.473 1.00 0.00 C ATOM 810 C PRO B 108 24.886 8.890 4.036 1.00 0.00 C ATOM 811 O PRO B 108 24.165 9.705 3.454 1.00 0.00 O ATOM 812 CB PRO B 108 23.698 7.176 5.501 1.00 0.00 C ATOM 813 CG PRO B 108 22.292 7.739 5.683 1.00 0.00 C ATOM 814 CD PRO B 108 22.530 8.936 6.602 1.00 0.00 C ATOM 0 HA PRO B 108 25.558 8.242 5.908 1.00 0.00 H new ATOM 0 HB2 PRO B 108 23.786 6.602 4.578 1.00 0.00 H new ATOM 0 HB3 PRO B 108 23.974 6.510 6.318 1.00 0.00 H new ATOM 0 HG2 PRO B 108 21.849 8.039 4.733 1.00 0.00 H new ATOM 0 HG3 PRO B 108 21.618 7.010 6.133 1.00 0.00 H new ATOM 0 HD2 PRO B 108 21.767 9.700 6.456 1.00 0.00 H new ATOM 0 HD3 PRO B 108 22.488 8.640 7.650 1.00 0.00 H new ATOM 822 N THR B 109 25.960 8.342 3.454 1.00 0.00 N ATOM 823 CA THR B 109 26.436 8.667 2.091 1.00 0.00 C ATOM 824 C THR B 109 25.445 8.243 0.991 1.00 0.00 C ATOM 825 O THR B 109 25.329 8.927 -0.029 1.00 0.00 O ATOM 826 CB THR B 109 27.843 8.071 1.855 1.00 0.00 C ATOM 827 OG1 THR B 109 28.386 8.529 0.633 1.00 0.00 O ATOM 828 CG2 THR B 109 27.874 6.538 1.812 1.00 0.00 C ATOM 0 H THR B 109 26.539 7.645 3.922 1.00 0.00 H new ATOM 0 HA THR B 109 26.504 9.753 2.024 1.00 0.00 H new ATOM 0 HB THR B 109 28.428 8.406 2.711 1.00 0.00 H new ATOM 0 HG1 THR B 109 29.277 8.141 0.505 1.00 0.00 H new ATOM 0 HG21 THR B 109 28.896 6.199 1.643 1.00 0.00 H new ATOM 0 HG22 THR B 109 27.512 6.140 2.760 1.00 0.00 H new ATOM 0 HG23 THR B 109 27.236 6.184 1.002 1.00 0.00 H new ATOM 836 N SER B 110 24.672 7.175 1.222 1.00 0.00 N ATOM 837 CA SER B 110 23.517 6.784 0.400 1.00 0.00 C ATOM 838 C SER B 110 22.212 7.034 1.167 1.00 0.00 C ATOM 839 O SER B 110 21.987 6.456 2.235 1.00 0.00 O ATOM 840 CB SER B 110 23.625 5.313 -0.011 1.00 0.00 C ATOM 841 OG SER B 110 22.516 4.953 -0.821 1.00 0.00 O ATOM 0 H SER B 110 24.835 6.542 2.005 1.00 0.00 H new ATOM 0 HA SER B 110 23.511 7.392 -0.504 1.00 0.00 H new ATOM 0 HB2 SER B 110 24.554 5.146 -0.557 1.00 0.00 H new ATOM 0 HB3 SER B 110 23.659 4.680 0.876 1.00 0.00 H new ATOM 0 HG SER B 110 22.593 4.011 -1.081 1.00 0.00 H new ATOM 847 N SER B 111 21.355 7.909 0.633 1.00 0.00 N ATOM 848 CA SER B 111 20.054 8.265 1.228 1.00 0.00 C ATOM 849 C SER B 111 18.964 7.206 1.005 1.00 0.00 C ATOM 850 O SER B 111 17.953 7.209 1.710 1.00 0.00 O ATOM 851 CB SER B 111 19.593 9.618 0.671 1.00 0.00 C ATOM 852 OG SER B 111 19.503 9.592 -0.746 1.00 0.00 O ATOM 0 H SER B 111 21.545 8.401 -0.240 1.00 0.00 H new ATOM 0 HA SER B 111 20.205 8.323 2.306 1.00 0.00 H new ATOM 0 HB2 SER B 111 18.622 9.875 1.094 1.00 0.00 H new ATOM 0 HB3 SER B 111 20.291 10.397 0.978 1.00 0.00 H new ATOM 0 HG SER B 111 19.205 10.467 -1.071 1.00 0.00 H new ATOM 858 N ASP B 112 19.153 6.271 0.069 1.00 0.00 N ATOM 859 CA ASP B 112 18.186 5.217 -0.287 1.00 0.00 C ATOM 860 C ASP B 112 18.146 3.997 0.660 1.00 0.00 C ATOM 861 O ASP B 112 17.396 3.052 0.412 1.00 0.00 O ATOM 862 CB ASP B 112 18.432 4.769 -1.734 1.00 0.00 C ATOM 863 CG ASP B 112 18.092 5.852 -2.766 1.00 0.00 C ATOM 864 OD1 ASP B 112 16.920 6.302 -2.796 1.00 0.00 O ATOM 865 OD2 ASP B 112 18.968 6.216 -3.589 1.00 0.00 O1- ATOM 0 H ASP B 112 20.010 6.221 -0.482 1.00 0.00 H new ATOM 0 HA ASP B 112 17.202 5.673 -0.177 1.00 0.00 H new ATOM 0 HB2 ASP B 112 19.478 4.484 -1.847 1.00 0.00 H new ATOM 0 HB3 ASP B 112 17.835 3.880 -1.939 1.00 0.00 H new ATOM 870 N GLY B 113 18.906 3.992 1.759 1.00 0.00 N ATOM 871 CA GLY B 113 18.979 2.846 2.682 1.00 0.00 C ATOM 872 C GLY B 113 17.629 2.421 3.297 1.00 0.00 C ATOM 873 O GLY B 113 17.448 1.245 3.635 1.00 0.00 O ATOM 0 H GLY B 113 19.490 4.781 2.038 1.00 0.00 H new ATOM 0 HA2 GLY B 113 19.403 1.995 2.149 1.00 0.00 H new ATOM 0 HA3 GLY B 113 19.668 3.092 3.490 1.00 0.00 H new ATOM 877 N TRP B 114 16.658 3.334 3.389 1.00 0.00 N ATOM 878 CA TRP B 114 15.298 3.050 3.875 1.00 0.00 C ATOM 879 C TRP B 114 14.425 2.279 2.870 1.00 0.00 C ATOM 880 O TRP B 114 13.482 1.601 3.282 1.00 0.00 O ATOM 881 CB TRP B 114 14.621 4.374 4.260 1.00 0.00 C ATOM 882 CG TRP B 114 14.113 5.223 3.136 1.00 0.00 C ATOM 883 CD1 TRP B 114 14.834 6.139 2.451 1.00 0.00 C ATOM 884 CD2 TRP B 114 12.785 5.229 2.524 1.00 0.00 C ATOM 885 NE1 TRP B 114 14.035 6.749 1.502 1.00 0.00 N ATOM 886 CE2 TRP B 114 12.766 6.214 1.490 1.00 0.00 C ATOM 887 CE3 TRP B 114 11.584 4.519 2.743 1.00 0.00 C ATOM 888 CZ2 TRP B 114 11.618 6.488 0.733 1.00 0.00 C ATOM 889 CZ3 TRP B 114 10.435 4.760 1.968 1.00 0.00 C ATOM 890 CH2 TRP B 114 10.444 5.748 0.966 1.00 0.00 C ATOM 0 H TRP B 114 16.794 4.310 3.124 1.00 0.00 H new ATOM 0 HA TRP B 114 15.398 2.396 4.741 1.00 0.00 H new ATOM 0 HB2 TRP B 114 13.784 4.148 4.921 1.00 0.00 H new ATOM 0 HB3 TRP B 114 15.333 4.964 4.837 1.00 0.00 H new ATOM 0 HD1 TRP B 114 15.877 6.361 2.620 1.00 0.00 H new ATOM 0 HE1 TRP B 114 14.346 7.501 0.888 1.00 0.00 H new ATOM 0 HE3 TRP B 114 11.547 3.774 3.524 1.00 0.00 H new ATOM 0 HZ2 TRP B 114 11.635 7.260 -0.022 1.00 0.00 H new ATOM 0 HZ3 TRP B 114 9.539 4.183 2.143 1.00 0.00 H new ATOM 0 HH2 TRP B 114 9.557 5.937 0.380 1.00 0.00 H new ATOM 901 N LYS B 115 14.731 2.347 1.562 1.00 0.00 N ATOM 902 CA LYS B 115 13.887 1.811 0.474 1.00 0.00 C ATOM 903 C LYS B 115 13.718 0.294 0.589 1.00 0.00 C ATOM 904 O LYS B 115 12.597 -0.211 0.563 1.00 0.00 O ATOM 905 CB LYS B 115 14.502 2.167 -0.897 1.00 0.00 C ATOM 906 CG LYS B 115 14.596 3.672 -1.224 1.00 0.00 C ATOM 907 CD LYS B 115 13.244 4.279 -1.612 1.00 0.00 C ATOM 908 CE LYS B 115 13.314 5.764 -1.994 1.00 0.00 C ATOM 909 NZ LYS B 115 14.152 6.026 -3.191 1.00 0.00 N1+ ATOM 0 H LYS B 115 15.588 2.784 1.223 1.00 0.00 H new ATOM 0 HA LYS B 115 12.901 2.268 0.562 1.00 0.00 H new ATOM 0 HB2 LYS B 115 15.504 1.741 -0.945 1.00 0.00 H new ATOM 0 HB3 LYS B 115 13.912 1.682 -1.675 1.00 0.00 H new ATOM 0 HG2 LYS B 115 14.993 4.203 -0.359 1.00 0.00 H new ATOM 0 HG3 LYS B 115 15.303 3.819 -2.040 1.00 0.00 H new ATOM 0 HD2 LYS B 115 12.832 3.718 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS B 115 12.551 4.161 -0.779 1.00 0.00 H new ATOM 0 HE2 LYS B 115 12.305 6.132 -2.179 1.00 0.00 H new ATOM 0 HE3 LYS B 115 13.710 6.330 -1.151 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 13.843 6.909 -3.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 15.148 6.114 -2.905 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 14.053 5.239 -3.863 1.00 0.00 H new ATOM 923 N ASP B 116 14.825 -0.424 0.761 1.00 0.00 N ATOM 924 CA ASP B 116 14.841 -1.888 0.890 1.00 0.00 C ATOM 925 C ASP B 116 14.217 -2.370 2.214 1.00 0.00 C ATOM 926 O ASP B 116 13.502 -3.372 2.234 1.00 0.00 O ATOM 927 CB ASP B 116 16.281 -2.413 0.765 1.00 0.00 C ATOM 928 CG ASP B 116 16.928 -2.207 -0.616 1.00 0.00 C ATOM 929 OD1 ASP B 116 18.169 -2.368 -0.710 1.00 0.00 O ATOM 930 OD2 ASP B 116 16.226 -1.933 -1.618 1.00 0.00 O1- ATOM 0 H ASP B 116 15.753 -0.004 0.816 1.00 0.00 H new ATOM 0 HA ASP B 116 14.231 -2.289 0.081 1.00 0.00 H new ATOM 0 HB2 ASP B 116 16.898 -1.921 1.516 1.00 0.00 H new ATOM 0 HB3 ASP B 116 16.285 -3.478 0.997 1.00 0.00 H new ATOM 935 N ASP B 117 14.424 -1.633 3.310 1.00 0.00 N ATOM 936 CA ASP B 117 13.817 -1.934 4.614 1.00 0.00 C ATOM 937 C ASP B 117 12.290 -1.736 4.593 1.00 0.00 C ATOM 938 O ASP B 117 11.557 -2.526 5.192 1.00 0.00 O ATOM 939 CB ASP B 117 14.455 -1.074 5.723 1.00 0.00 C ATOM 940 CG ASP B 117 15.935 -1.379 6.021 1.00 0.00 C ATOM 941 OD1 ASP B 117 16.547 -0.607 6.800 1.00 0.00 O ATOM 942 OD2 ASP B 117 16.488 -2.398 5.539 1.00 0.00 O1- ATOM 0 H ASP B 117 15.021 -0.806 3.319 1.00 0.00 H new ATOM 0 HA ASP B 117 14.011 -2.985 4.828 1.00 0.00 H new ATOM 0 HB2 ASP B 117 14.366 -0.024 5.443 1.00 0.00 H new ATOM 0 HB3 ASP B 117 13.881 -1.208 6.640 1.00 0.00 H new ATOM 947 N TYR B 118 11.799 -0.720 3.880 1.00 0.00 N ATOM 948 CA TYR B 118 10.371 -0.458 3.722 1.00 0.00 C ATOM 949 C TYR B 118 9.672 -1.557 2.908 1.00 0.00 C ATOM 950 O TYR B 118 8.640 -2.073 3.337 1.00 0.00 O ATOM 951 CB TYR B 118 10.131 0.944 3.145 1.00 0.00 C ATOM 952 CG TYR B 118 8.761 1.494 3.484 1.00 0.00 C ATOM 953 CD1 TYR B 118 8.479 1.846 4.821 1.00 0.00 C ATOM 954 CD2 TYR B 118 7.769 1.657 2.495 1.00 0.00 C ATOM 955 CE1 TYR B 118 7.208 2.327 5.174 1.00 0.00 C ATOM 956 CE2 TYR B 118 6.497 2.157 2.845 1.00 0.00 C ATOM 957 CZ TYR B 118 6.209 2.475 4.190 1.00 0.00 C ATOM 958 OH TYR B 118 4.976 2.931 4.543 1.00 0.00 O ATOM 0 H TYR B 118 12.391 -0.049 3.391 1.00 0.00 H new ATOM 0 HA TYR B 118 9.916 -0.481 4.712 1.00 0.00 H new ATOM 0 HB2 TYR B 118 10.894 1.623 3.525 1.00 0.00 H new ATOM 0 HB3 TYR B 118 10.246 0.910 2.062 1.00 0.00 H new ATOM 0 HD1 TYR B 118 9.244 1.745 5.576 1.00 0.00 H new ATOM 0 HD2 TYR B 118 7.983 1.399 1.468 1.00 0.00 H new ATOM 0 HE1 TYR B 118 6.995 2.584 6.201 1.00 0.00 H new ATOM 0 HE2 TYR B 118 5.744 2.296 2.084 1.00 0.00 H new ATOM 0 HH TYR B 118 5.057 3.530 5.314 1.00 0.00 H new ATOM 968 N LEU B 119 10.267 -2.021 1.805 1.00 0.00 N ATOM 969 CA LEU B 119 9.784 -3.201 1.073 1.00 0.00 C ATOM 970 C LEU B 119 9.815 -4.464 1.953 1.00 0.00 C ATOM 971 O LEU B 119 8.838 -5.219 1.995 1.00 0.00 O ATOM 972 CB LEU B 119 10.622 -3.382 -0.211 1.00 0.00 C ATOM 973 CG LEU B 119 9.967 -2.783 -1.468 1.00 0.00 C ATOM 974 CD1 LEU B 119 9.711 -1.281 -1.368 1.00 0.00 C ATOM 975 CD2 LEU B 119 10.851 -3.042 -2.688 1.00 0.00 C ATOM 0 H LEU B 119 11.096 -1.592 1.393 1.00 0.00 H new ATOM 0 HA LEU B 119 8.742 -3.043 0.795 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.598 -2.919 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.795 -4.446 -0.374 1.00 0.00 H new ATOM 0 HG LEU B 119 8.999 -3.275 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU B 119 9.248 -0.929 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU B 119 9.046 -1.080 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU B 119 10.656 -0.760 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU B 119 10.382 -2.615 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.826 -2.579 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU B 119 10.976 -4.116 -2.825 1.00 0.00 H new ATOM 987 N SER B 120 10.894 -4.678 2.712 1.00 0.00 N ATOM 988 CA SER B 120 11.046 -5.835 3.603 1.00 0.00 C ATOM 989 C SER B 120 9.932 -5.900 4.660 1.00 0.00 C ATOM 990 O SER B 120 9.339 -6.965 4.852 1.00 0.00 O ATOM 991 CB SER B 120 12.433 -5.816 4.264 1.00 0.00 C ATOM 992 OG SER B 120 12.625 -6.948 5.099 1.00 0.00 O ATOM 0 H SER B 120 11.695 -4.047 2.726 1.00 0.00 H new ATOM 0 HA SER B 120 10.958 -6.736 2.996 1.00 0.00 H new ATOM 0 HB2 SER B 120 13.204 -5.795 3.494 1.00 0.00 H new ATOM 0 HB3 SER B 120 12.545 -4.905 4.852 1.00 0.00 H new ATOM 0 HG SER B 120 13.517 -6.908 5.504 1.00 0.00 H new ATOM 998 N ARG B 121 9.581 -4.769 5.299 1.00 0.00 N ATOM 999 CA ARG B 121 8.477 -4.714 6.280 1.00 0.00 C ATOM 1000 C ARG B 121 7.085 -4.797 5.638 1.00 0.00 C ATOM 1001 O ARG B 121 6.217 -5.488 6.173 1.00 0.00 O ATOM 1002 CB ARG B 121 8.640 -3.509 7.231 1.00 0.00 C ATOM 1003 CG ARG B 121 8.223 -2.153 6.643 1.00 0.00 C ATOM 1004 CD ARG B 121 8.394 -1.008 7.642 1.00 0.00 C ATOM 1005 NE ARG B 121 7.437 -1.098 8.766 1.00 0.00 N ATOM 1006 CZ ARG B 121 6.173 -0.707 8.776 1.00 0.00 C ATOM 1007 NH1 ARG B 121 5.598 -0.166 7.739 1.00 0.00 N1+ ATOM 1008 NH2 ARG B 121 5.443 -0.862 9.843 1.00 0.00 N ATOM 0 H ARG B 121 10.049 -3.874 5.153 1.00 0.00 H new ATOM 0 HA ARG B 121 8.548 -5.615 6.889 1.00 0.00 H new ATOM 0 HB2 ARG B 121 8.052 -3.694 8.130 1.00 0.00 H new ATOM 0 HB3 ARG B 121 9.684 -3.448 7.539 1.00 0.00 H new ATOM 0 HG2 ARG B 121 8.818 -1.947 5.753 1.00 0.00 H new ATOM 0 HG3 ARG B 121 7.181 -2.202 6.326 1.00 0.00 H new ATOM 0 HD2 ARG B 121 9.412 -1.018 8.032 1.00 0.00 H new ATOM 0 HD3 ARG B 121 8.259 -0.056 7.128 1.00 0.00 H new ATOM 0 HE ARG B 121 7.791 -1.507 9.630 1.00 0.00 H new ATOM 0 HH11 ARG B 121 6.125 -0.030 6.877 1.00 0.00 H new ATOM 0 HH12 ARG B 121 4.621 0.121 7.790 1.00 0.00 H new ATOM 0 HH21 ARG B 121 5.845 -1.287 10.679 1.00 0.00 H new ATOM 0 HH22 ARG B 121 4.469 -0.558 9.843 1.00 0.00 H new ATOM 1022 N LEU B 122 6.873 -4.165 4.477 1.00 0.00 N ATOM 1023 CA LEU B 122 5.586 -4.175 3.758 1.00 0.00 C ATOM 1024 C LEU B 122 5.159 -5.589 3.338 1.00 0.00 C ATOM 1025 O LEU B 122 3.982 -5.939 3.467 1.00 0.00 O ATOM 1026 CB LEU B 122 5.644 -3.244 2.532 1.00 0.00 C ATOM 1027 CG LEU B 122 5.035 -1.839 2.723 1.00 0.00 C ATOM 1028 CD1 LEU B 122 5.448 -1.101 3.996 1.00 0.00 C ATOM 1029 CD2 LEU B 122 5.443 -0.985 1.520 1.00 0.00 C ATOM 0 H LEU B 122 7.597 -3.625 4.002 1.00 0.00 H new ATOM 0 HA LEU B 122 4.831 -3.805 4.452 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.687 -3.130 2.236 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.129 -3.732 1.704 1.00 0.00 H new ATOM 0 HG LEU B 122 3.959 -1.990 2.812 1.00 0.00 H new ATOM 0 HD11 LEU B 122 4.961 -0.126 4.026 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.148 -1.683 4.867 1.00 0.00 H new ATOM 0 HD13 LEU B 122 6.530 -0.967 4.004 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.026 0.017 1.627 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.530 -0.922 1.470 1.00 0.00 H new ATOM 0 HD23 LEU B 122 5.064 -1.440 0.605 1.00 0.00 H new ATOM 1041 N SER B 123 6.107 -6.424 2.904 1.00 0.00 N ATOM 1042 CA SER B 123 5.861 -7.828 2.543 1.00 0.00 C ATOM 1043 C SER B 123 5.302 -8.686 3.700 1.00 0.00 C ATOM 1044 O SER B 123 4.672 -9.717 3.445 1.00 0.00 O ATOM 1045 CB SER B 123 7.154 -8.440 1.994 1.00 0.00 C ATOM 1046 OG SER B 123 6.909 -9.710 1.413 1.00 0.00 O ATOM 0 H SER B 123 7.081 -6.143 2.791 1.00 0.00 H new ATOM 0 HA SER B 123 5.082 -7.828 1.780 1.00 0.00 H new ATOM 0 HB2 SER B 123 7.588 -7.773 1.249 1.00 0.00 H new ATOM 0 HB3 SER B 123 7.884 -8.539 2.798 1.00 0.00 H new ATOM 0 HG SER B 123 7.749 -10.080 1.068 1.00 0.00 H new ATOM 1052 N ARG B 124 5.475 -8.272 4.970 1.00 0.00 N ATOM 1053 CA ARG B 124 4.982 -9.001 6.161 1.00 0.00 C ATOM 1054 C ARG B 124 3.480 -8.819 6.450 1.00 0.00 C ATOM 1055 O ARG B 124 2.908 -9.652 7.155 1.00 0.00 O ATOM 1056 CB ARG B 124 5.788 -8.595 7.412 1.00 0.00 C ATOM 1057 CG ARG B 124 7.316 -8.691 7.278 1.00 0.00 C ATOM 1058 CD ARG B 124 7.840 -10.066 6.829 1.00 0.00 C ATOM 1059 NE ARG B 124 7.469 -11.144 7.772 1.00 0.00 N ATOM 1060 CZ ARG B 124 8.071 -11.455 8.905 1.00 0.00 C ATOM 1061 NH1 ARG B 124 9.112 -10.809 9.348 1.00 0.00 N1+ ATOM 1062 NH2 ARG B 124 7.617 -12.433 9.639 1.00 0.00 N ATOM 0 H ARG B 124 5.968 -7.410 5.204 1.00 0.00 H new ATOM 0 HA ARG B 124 5.126 -10.056 5.926 1.00 0.00 H new ATOM 0 HB2 ARG B 124 5.528 -7.569 7.672 1.00 0.00 H new ATOM 0 HB3 ARG B 124 5.474 -9.225 8.245 1.00 0.00 H new ATOM 0 HG2 ARG B 124 7.652 -7.939 6.564 1.00 0.00 H new ATOM 0 HG3 ARG B 124 7.767 -8.442 8.239 1.00 0.00 H new ATOM 0 HD2 ARG B 124 7.443 -10.298 5.841 1.00 0.00 H new ATOM 0 HD3 ARG B 124 8.925 -10.026 6.735 1.00 0.00 H new ATOM 0 HE ARG B 124 6.659 -11.709 7.519 1.00 0.00 H new ATOM 0 HH11 ARG B 124 9.493 -10.028 8.814 1.00 0.00 H new ATOM 0 HH12 ARG B 124 9.546 -11.084 10.229 1.00 0.00 H new ATOM 0 HH21 ARG B 124 6.796 -12.958 9.338 1.00 0.00 H new ATOM 0 HH22 ARG B 124 8.083 -12.673 10.514 1.00 0.00 H new ATOM 1076 N LEU B 125 2.843 -7.759 5.942 1.00 0.00 N ATOM 1077 CA LEU B 125 1.423 -7.472 6.201 1.00 0.00 C ATOM 1078 C LEU B 125 0.479 -8.468 5.507 1.00 0.00 C ATOM 1079 O LEU B 125 0.738 -8.923 4.387 1.00 0.00 O ATOM 1080 CB LEU B 125 1.056 -6.028 5.794 1.00 0.00 C ATOM 1081 CG LEU B 125 1.517 -4.854 6.691 1.00 0.00 C ATOM 1082 CD1 LEU B 125 1.513 -5.167 8.189 1.00 0.00 C ATOM 1083 CD2 LEU B 125 2.894 -4.347 6.293 1.00 0.00 C ATOM 0 H LEU B 125 3.296 -7.073 5.338 1.00 0.00 H new ATOM 0 HA LEU B 125 1.286 -7.583 7.277 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.457 -5.856 4.795 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -0.030 -5.975 5.715 1.00 0.00 H new ATOM 0 HG LEU B 125 0.771 -4.078 6.521 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.849 -4.291 8.745 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.503 -5.430 8.503 1.00 0.00 H new ATOM 0 HD13 LEU B 125 2.184 -6.003 8.388 1.00 0.00 H new ATOM 0 HD21 LEU B 125 3.181 -3.523 6.946 1.00 0.00 H new ATOM 0 HD22 LEU B 125 3.620 -5.155 6.386 1.00 0.00 H new ATOM 0 HD23 LEU B 125 2.869 -3.999 5.260 1.00 0.00 H new ATOM 1095 N SER B 126 -0.645 -8.754 6.162 1.00 0.00 N ATOM 1096 CA SER B 126 -1.802 -9.460 5.592 1.00 0.00 C ATOM 1097 C SER B 126 -2.513 -8.617 4.517 1.00 0.00 C ATOM 1098 O SER B 126 -2.300 -7.403 4.421 1.00 0.00 O ATOM 1099 CB SER B 126 -2.761 -9.842 6.726 1.00 0.00 C ATOM 1100 OG SER B 126 -3.840 -10.618 6.235 1.00 0.00 O ATOM 0 H SER B 126 -0.785 -8.494 7.138 1.00 0.00 H new ATOM 0 HA SER B 126 -1.453 -10.364 5.093 1.00 0.00 H new ATOM 0 HB2 SER B 126 -2.222 -10.403 7.490 1.00 0.00 H new ATOM 0 HB3 SER B 126 -3.144 -8.940 7.203 1.00 0.00 H new ATOM 0 HG SER B 126 -4.438 -10.852 6.975 1.00 0.00 H new ATOM 1106 N LYS B 127 -3.393 -9.235 3.714 1.00 0.00 N ATOM 1107 CA LYS B 127 -4.095 -8.610 2.575 1.00 0.00 C ATOM 1108 C LYS B 127 -4.901 -7.368 2.965 1.00 0.00 C ATOM 1109 O LYS B 127 -4.899 -6.367 2.256 1.00 0.00 O ATOM 1110 CB LYS B 127 -5.019 -9.670 1.945 1.00 0.00 C ATOM 1111 CG LYS B 127 -5.541 -9.309 0.541 1.00 0.00 C ATOM 1112 CD LYS B 127 -4.453 -9.275 -0.544 1.00 0.00 C ATOM 1113 CE LYS B 127 -5.079 -8.892 -1.893 1.00 0.00 C ATOM 1114 NZ LYS B 127 -4.096 -8.909 -3.007 1.00 0.00 N1+ ATOM 0 H LYS B 127 -3.646 -10.215 3.841 1.00 0.00 H new ATOM 0 HA LYS B 127 -3.345 -8.264 1.864 1.00 0.00 H new ATOM 0 HB2 LYS B 127 -4.479 -10.615 1.886 1.00 0.00 H new ATOM 0 HB3 LYS B 127 -5.871 -9.830 2.606 1.00 0.00 H new ATOM 0 HG2 LYS B 127 -6.304 -10.031 0.252 1.00 0.00 H new ATOM 0 HG3 LYS B 127 -6.026 -8.334 0.585 1.00 0.00 H new ATOM 0 HD2 LYS B 127 -3.679 -8.556 -0.274 1.00 0.00 H new ATOM 0 HD3 LYS B 127 -3.971 -10.250 -0.620 1.00 0.00 H new ATOM 0 HE2 LYS B 127 -5.892 -9.582 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS B 127 -5.517 -7.897 -1.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 127 -4.518 -8.468 -3.849 1.00 0.00 H new ATOM 0 HZ2 LYS B 127 -3.246 -8.379 -2.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 127 -3.835 -9.892 -3.225 1.00 0.00 H new ATOM 1128 N ASN B 128 -5.571 -7.417 4.111 1.00 0.00 N ATOM 1129 CA ASN B 128 -6.326 -6.302 4.682 1.00 0.00 C ATOM 1130 C ASN B 128 -5.410 -5.210 5.272 1.00 0.00 C ATOM 1131 O ASN B 128 -5.685 -4.017 5.137 1.00 0.00 O ATOM 1132 CB ASN B 128 -7.266 -6.901 5.742 1.00 0.00 C ATOM 1133 CG ASN B 128 -8.436 -7.646 5.109 1.00 0.00 C ATOM 1134 OD1 ASN B 128 -8.353 -8.825 4.786 1.00 0.00 O ATOM 1135 ND2 ASN B 128 -9.554 -6.987 4.893 1.00 0.00 N ATOM 0 H ASN B 128 -5.606 -8.258 4.687 1.00 0.00 H new ATOM 0 HA ASN B 128 -6.896 -5.795 3.904 1.00 0.00 H new ATOM 0 HB2 ASN B 128 -6.705 -7.583 6.381 1.00 0.00 H new ATOM 0 HB3 ASN B 128 -7.646 -6.105 6.382 1.00 0.00 H new ATOM 0 HD21 ASN B 128 -10.348 -7.458 4.458 1.00 0.00 H new ATOM 0 HD22 ASN B 128 -9.627 -6.005 5.160 1.00 0.00 H new ATOM 1142 N GLN B 129 -4.292 -5.610 5.888 1.00 0.00 N ATOM 1143 CA GLN B 129 -3.335 -4.707 6.543 1.00 0.00 C ATOM 1144 C GLN B 129 -2.515 -3.876 5.540 1.00 0.00 C ATOM 1145 O GLN B 129 -2.343 -2.674 5.746 1.00 0.00 O ATOM 1146 CB GLN B 129 -2.401 -5.527 7.443 1.00 0.00 C ATOM 1147 CG GLN B 129 -3.105 -6.195 8.634 1.00 0.00 C ATOM 1148 CD GLN B 129 -2.214 -7.190 9.378 1.00 0.00 C ATOM 1149 OE1 GLN B 129 -1.219 -7.700 8.872 1.00 0.00 O ATOM 1150 NE2 GLN B 129 -2.544 -7.529 10.607 1.00 0.00 N ATOM 0 H GLN B 129 -4.020 -6.591 5.947 1.00 0.00 H new ATOM 0 HA GLN B 129 -3.907 -3.996 7.139 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -1.918 -6.297 6.842 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -1.612 -4.876 7.820 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -3.438 -5.425 9.330 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -3.997 -6.711 8.278 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -3.367 -7.117 11.046 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -1.976 -8.204 11.120 1.00 0.00 H new ATOM 1159 N LEU B 130 -2.055 -4.476 4.433 1.00 0.00 N ATOM 1160 CA LEU B 130 -1.348 -3.759 3.362 1.00 0.00 C ATOM 1161 C LEU B 130 -2.246 -2.717 2.674 1.00 0.00 C ATOM 1162 O LEU B 130 -1.771 -1.648 2.285 1.00 0.00 O ATOM 1163 CB LEU B 130 -0.700 -4.760 2.375 1.00 0.00 C ATOM 1164 CG LEU B 130 -1.639 -5.657 1.546 1.00 0.00 C ATOM 1165 CD1 LEU B 130 -2.153 -5.016 0.252 1.00 0.00 C ATOM 1166 CD2 LEU B 130 -0.914 -6.951 1.166 1.00 0.00 C ATOM 0 H LEU B 130 -2.163 -5.474 4.255 1.00 0.00 H new ATOM 0 HA LEU B 130 -0.537 -3.185 3.810 1.00 0.00 H new ATOM 0 HB2 LEU B 130 -0.079 -4.193 1.682 1.00 0.00 H new ATOM 0 HB3 LEU B 130 -0.033 -5.408 2.944 1.00 0.00 H new ATOM 0 HG LEU B 130 -2.503 -5.836 2.186 1.00 0.00 H new ATOM 0 HD11 LEU B 130 -2.806 -5.718 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU B 130 -2.710 -4.110 0.491 1.00 0.00 H new ATOM 0 HD13 LEU B 130 -1.309 -4.764 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU B 130 -1.581 -7.583 0.580 1.00 0.00 H new ATOM 0 HD22 LEU B 130 -0.029 -6.712 0.576 1.00 0.00 H new ATOM 0 HD23 LEU B 130 -0.615 -7.480 2.071 1.00 0.00 H new ATOM 1178 N MET B 131 -3.559 -2.979 2.592 1.00 0.00 N ATOM 1179 CA MET B 131 -4.523 -2.022 2.051 1.00 0.00 C ATOM 1180 C MET B 131 -4.807 -0.878 3.023 1.00 0.00 C ATOM 1181 O MET B 131 -4.832 0.276 2.601 1.00 0.00 O ATOM 1182 CB MET B 131 -5.820 -2.727 1.654 1.00 0.00 C ATOM 1183 CG MET B 131 -5.624 -3.551 0.382 1.00 0.00 C ATOM 1184 SD MET B 131 -7.166 -4.084 -0.391 1.00 0.00 S ATOM 1185 CE MET B 131 -7.485 -5.595 0.551 1.00 0.00 C ATOM 0 H MET B 131 -3.976 -3.858 2.899 1.00 0.00 H new ATOM 0 HA MET B 131 -4.075 -1.584 1.159 1.00 0.00 H new ATOM 0 HB2 MET B 131 -6.149 -3.376 2.466 1.00 0.00 H new ATOM 0 HB3 MET B 131 -6.607 -1.989 1.497 1.00 0.00 H new ATOM 0 HG2 MET B 131 -5.054 -2.962 -0.336 1.00 0.00 H new ATOM 0 HG3 MET B 131 -5.025 -4.430 0.619 1.00 0.00 H new ATOM 0 HE1 MET B 131 -8.553 -5.811 0.541 1.00 0.00 H new ATOM 0 HE2 MET B 131 -6.943 -6.426 0.100 1.00 0.00 H new ATOM 0 HE3 MET B 131 -7.151 -5.460 1.580 1.00 0.00 H new ATOM 1195 N ALA B 132 -4.941 -1.166 4.320 1.00 0.00 N ATOM 1196 CA ALA B 132 -5.061 -0.140 5.356 1.00 0.00 C ATOM 1197 C ALA B 132 -3.827 0.787 5.389 1.00 0.00 C ATOM 1198 O ALA B 132 -3.970 2.006 5.490 1.00 0.00 O ATOM 1199 CB ALA B 132 -5.296 -0.829 6.706 1.00 0.00 C ATOM 0 H ALA B 132 -4.969 -2.120 4.681 1.00 0.00 H new ATOM 0 HA ALA B 132 -5.912 0.503 5.130 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -5.387 -0.075 7.488 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -6.213 -1.417 6.660 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -4.455 -1.485 6.931 1.00 0.00 H new ATOM 1205 N LEU B 133 -2.621 0.233 5.236 1.00 0.00 N ATOM 1206 CA LEU B 133 -1.360 0.974 5.133 1.00 0.00 C ATOM 1207 C LEU B 133 -1.351 1.900 3.905 1.00 0.00 C ATOM 1208 O LEU B 133 -1.122 3.102 4.046 1.00 0.00 O ATOM 1209 CB LEU B 133 -0.197 -0.046 5.155 1.00 0.00 C ATOM 1210 CG LEU B 133 1.255 0.467 5.132 1.00 0.00 C ATOM 1211 CD1 LEU B 133 1.711 1.008 3.775 1.00 0.00 C ATOM 1212 CD2 LEU B 133 1.525 1.518 6.214 1.00 0.00 C ATOM 0 H LEU B 133 -2.491 -0.777 5.178 1.00 0.00 H new ATOM 0 HA LEU B 133 -1.238 1.644 5.984 1.00 0.00 H new ATOM 0 HB2 LEU B 133 -0.314 -0.658 6.050 1.00 0.00 H new ATOM 0 HB3 LEU B 133 -0.325 -0.707 4.298 1.00 0.00 H new ATOM 0 HG LEU B 133 1.846 -0.424 5.341 1.00 0.00 H new ATOM 0 HD11 LEU B 133 2.744 1.348 3.847 1.00 0.00 H new ATOM 0 HD12 LEU B 133 1.640 0.219 3.026 1.00 0.00 H new ATOM 0 HD13 LEU B 133 1.074 1.843 3.483 1.00 0.00 H new ATOM 0 HD21 LEU B 133 2.563 1.845 6.153 1.00 0.00 H new ATOM 0 HD22 LEU B 133 0.866 2.373 6.064 1.00 0.00 H new ATOM 0 HD23 LEU B 133 1.339 1.085 7.197 1.00 0.00 H new ATOM 1224 N ALA B 134 -1.655 1.375 2.714 1.00 0.00 N ATOM 1225 CA ALA B 134 -1.686 2.155 1.472 1.00 0.00 C ATOM 1226 C ALA B 134 -2.780 3.246 1.475 1.00 0.00 C ATOM 1227 O ALA B 134 -2.535 4.369 1.035 1.00 0.00 O ATOM 1228 CB ALA B 134 -1.849 1.181 0.302 1.00 0.00 C ATOM 0 H ALA B 134 -1.888 0.391 2.583 1.00 0.00 H new ATOM 0 HA ALA B 134 -0.748 2.701 1.372 1.00 0.00 H new ATOM 0 HB1 ALA B 134 -1.875 1.738 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA B 134 -1.010 0.486 0.288 1.00 0.00 H new ATOM 0 HB3 ALA B 134 -2.779 0.624 0.419 1.00 0.00 H new ATOM 1234 N LEU B 135 -3.960 2.956 2.028 1.00 0.00 N ATOM 1235 CA LEU B 135 -5.068 3.902 2.220 1.00 0.00 C ATOM 1236 C LEU B 135 -4.679 5.042 3.179 1.00 0.00 C ATOM 1237 O LEU B 135 -4.883 6.212 2.853 1.00 0.00 O ATOM 1238 CB LEU B 135 -6.289 3.082 2.684 1.00 0.00 C ATOM 1239 CG LEU B 135 -7.644 3.787 2.907 1.00 0.00 C ATOM 1240 CD1 LEU B 135 -7.660 4.743 4.097 1.00 0.00 C ATOM 1241 CD2 LEU B 135 -8.139 4.527 1.667 1.00 0.00 C ATOM 0 H LEU B 135 -4.181 2.020 2.368 1.00 0.00 H new ATOM 0 HA LEU B 135 -5.320 4.412 1.290 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -6.450 2.293 1.949 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -6.017 2.595 3.621 1.00 0.00 H new ATOM 0 HG LEU B 135 -8.325 2.966 3.129 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -8.647 5.197 4.185 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -7.431 4.192 5.009 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -6.914 5.523 3.947 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -9.095 5.003 1.885 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.412 5.288 1.383 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.264 3.820 0.847 1.00 0.00 H new ATOM 1253 N LYS B 136 -4.055 4.711 4.319 1.00 0.00 N ATOM 1254 CA LYS B 136 -3.520 5.672 5.298 1.00 0.00 C ATOM 1255 C LYS B 136 -2.481 6.608 4.670 1.00 0.00 C ATOM 1256 O LYS B 136 -2.601 7.826 4.801 1.00 0.00 O ATOM 1257 CB LYS B 136 -2.964 4.883 6.495 1.00 0.00 C ATOM 1258 CG LYS B 136 -2.372 5.762 7.600 1.00 0.00 C ATOM 1259 CD LYS B 136 -1.996 4.902 8.819 1.00 0.00 C ATOM 1260 CE LYS B 136 -1.313 5.754 9.895 1.00 0.00 C ATOM 1261 NZ LYS B 136 -1.032 4.972 11.126 1.00 0.00 N1+ ATOM 0 H LYS B 136 -3.904 3.741 4.594 1.00 0.00 H new ATOM 0 HA LYS B 136 -4.318 6.327 5.647 1.00 0.00 H new ATOM 0 HB2 LYS B 136 -3.763 4.274 6.918 1.00 0.00 H new ATOM 0 HB3 LYS B 136 -2.195 4.197 6.139 1.00 0.00 H new ATOM 0 HG2 LYS B 136 -1.490 6.283 7.227 1.00 0.00 H new ATOM 0 HG3 LYS B 136 -3.093 6.525 7.893 1.00 0.00 H new ATOM 0 HD2 LYS B 136 -2.891 4.436 9.231 1.00 0.00 H new ATOM 0 HD3 LYS B 136 -1.331 4.096 8.510 1.00 0.00 H new ATOM 0 HE2 LYS B 136 -0.380 6.157 9.501 1.00 0.00 H new ATOM 0 HE3 LYS B 136 -1.949 6.604 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 136 -0.570 5.584 11.828 1.00 0.00 H new ATOM 0 HZ2 LYS B 136 -1.924 4.608 11.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 136 -0.405 4.175 10.895 1.00 0.00 H new ATOM 1275 N LEU B 137 -1.529 6.065 3.907 1.00 0.00 N ATOM 1276 CA LEU B 137 -0.554 6.845 3.138 1.00 0.00 C ATOM 1277 C LEU B 137 -1.226 7.756 2.090 1.00 0.00 C ATOM 1278 O LEU B 137 -0.817 8.910 1.933 1.00 0.00 O ATOM 1279 CB LEU B 137 0.433 5.883 2.447 1.00 0.00 C ATOM 1280 CG LEU B 137 1.789 5.709 3.142 1.00 0.00 C ATOM 1281 CD1 LEU B 137 1.701 5.233 4.591 1.00 0.00 C ATOM 1282 CD2 LEU B 137 2.610 4.684 2.351 1.00 0.00 C ATOM 0 H LEU B 137 -1.412 5.057 3.804 1.00 0.00 H new ATOM 0 HA LEU B 137 -0.024 7.496 3.833 1.00 0.00 H new ATOM 0 HB2 LEU B 137 -0.040 4.905 2.364 1.00 0.00 H new ATOM 0 HB3 LEU B 137 0.609 6.239 1.432 1.00 0.00 H new ATOM 0 HG LEU B 137 2.252 6.696 3.166 1.00 0.00 H new ATOM 0 HD11 LEU B 137 2.705 5.137 5.004 1.00 0.00 H new ATOM 0 HD12 LEU B 137 1.135 5.956 5.178 1.00 0.00 H new ATOM 0 HD13 LEU B 137 1.200 4.265 4.626 1.00 0.00 H new ATOM 0 HD21 LEU B 137 3.579 4.546 2.830 1.00 0.00 H new ATOM 0 HD22 LEU B 137 2.079 3.733 2.327 1.00 0.00 H new ATOM 0 HD23 LEU B 137 2.757 5.043 1.332 1.00 0.00 H new ATOM 1294 N LYS B 138 -2.264 7.272 1.394 1.00 0.00 N ATOM 1295 CA LYS B 138 -2.972 8.041 0.358 1.00 0.00 C ATOM 1296 C LYS B 138 -3.716 9.250 0.926 1.00 0.00 C ATOM 1297 O LYS B 138 -3.510 10.364 0.444 1.00 0.00 O ATOM 1298 CB LYS B 138 -3.905 7.134 -0.473 1.00 0.00 C ATOM 1299 CG LYS B 138 -4.453 7.817 -1.744 1.00 0.00 C ATOM 1300 CD LYS B 138 -3.339 8.207 -2.731 1.00 0.00 C ATOM 1301 CE LYS B 138 -3.904 8.801 -4.026 1.00 0.00 C ATOM 1302 NZ LYS B 138 -2.802 9.207 -4.941 1.00 0.00 N1+ ATOM 0 H LYS B 138 -2.638 6.333 1.533 1.00 0.00 H new ATOM 0 HA LYS B 138 -2.211 8.440 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS B 138 -3.363 6.233 -0.759 1.00 0.00 H new ATOM 0 HB3 LYS B 138 -4.742 6.818 0.150 1.00 0.00 H new ATOM 0 HG2 LYS B 138 -5.154 7.146 -2.240 1.00 0.00 H new ATOM 0 HG3 LYS B 138 -5.012 8.709 -1.461 1.00 0.00 H new ATOM 0 HD2 LYS B 138 -2.674 8.931 -2.260 1.00 0.00 H new ATOM 0 HD3 LYS B 138 -2.739 7.328 -2.966 1.00 0.00 H new ATOM 0 HE2 LYS B 138 -4.543 8.069 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS B 138 -4.528 9.664 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS B 138 -3.153 9.919 -5.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 138 -2.021 9.610 -4.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 138 -2.461 8.375 -5.465 1.00 0.00 H new ATOM 1316 N GLN B 139 -4.516 9.070 1.979 1.00 0.00 N ATOM 1317 CA GLN B 139 -5.216 10.197 2.606 1.00 0.00 C ATOM 1318 C GLN B 139 -4.234 11.216 3.223 1.00 0.00 C ATOM 1319 O GLN B 139 -4.506 12.415 3.188 1.00 0.00 O ATOM 1320 CB GLN B 139 -6.277 9.720 3.615 1.00 0.00 C ATOM 1321 CG GLN B 139 -5.726 9.048 4.879 1.00 0.00 C ATOM 1322 CD GLN B 139 -6.809 8.817 5.921 1.00 0.00 C ATOM 1323 OE1 GLN B 139 -7.267 9.727 6.603 1.00 0.00 O ATOM 1324 NE2 GLN B 139 -7.270 7.598 6.107 1.00 0.00 N ATOM 0 H GLN B 139 -4.695 8.165 2.413 1.00 0.00 H new ATOM 0 HA GLN B 139 -5.750 10.723 1.815 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -6.882 10.577 3.913 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -6.943 9.019 3.112 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -5.270 8.094 4.613 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -4.939 9.670 5.306 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -6.905 6.824 5.552 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -7.993 7.427 6.806 1.00 0.00 H new ATOM 1333 N GLN B 140 -3.063 10.773 3.705 1.00 0.00 N ATOM 1334 CA GLN B 140 -1.998 11.664 4.180 1.00 0.00 C ATOM 1335 C GLN B 140 -1.444 12.569 3.065 1.00 0.00 C ATOM 1336 O GLN B 140 -1.427 13.788 3.230 1.00 0.00 O ATOM 1337 CB GLN B 140 -0.875 10.849 4.829 1.00 0.00 C ATOM 1338 CG GLN B 140 -1.249 10.356 6.235 1.00 0.00 C ATOM 1339 CD GLN B 140 -0.322 9.256 6.760 1.00 0.00 C ATOM 1340 OE1 GLN B 140 0.559 8.738 6.088 1.00 0.00 O ATOM 1341 NE2 GLN B 140 -0.482 8.848 8.003 1.00 0.00 N ATOM 0 H GLN B 140 -2.829 9.783 3.776 1.00 0.00 H new ATOM 0 HA GLN B 140 -2.438 12.324 4.928 1.00 0.00 H new ATOM 0 HB2 GLN B 140 -0.639 9.993 4.197 1.00 0.00 H new ATOM 0 HB3 GLN B 140 0.026 11.459 4.888 1.00 0.00 H new ATOM 0 HG2 GLN B 140 -1.227 11.199 6.925 1.00 0.00 H new ATOM 0 HG3 GLN B 140 -2.273 9.982 6.221 1.00 0.00 H new ATOM 0 HE21 GLN B 140 -1.209 9.263 8.586 1.00 0.00 H new ATOM 0 HE22 GLN B 140 0.121 8.118 8.382 1.00 0.00 H new ATOM 1350 N GLN B 141 -1.041 12.011 1.910 1.00 0.00 N ATOM 1351 CA GLN B 141 -0.510 12.829 0.805 1.00 0.00 C ATOM 1352 C GLN B 141 -1.580 13.732 0.146 1.00 0.00 C ATOM 1353 O GLN B 141 -1.227 14.752 -0.454 1.00 0.00 O ATOM 1354 CB GLN B 141 0.257 11.967 -0.215 1.00 0.00 C ATOM 1355 CG GLN B 141 -0.602 10.989 -1.039 1.00 0.00 C ATOM 1356 CD GLN B 141 0.074 10.484 -2.320 1.00 0.00 C ATOM 1357 OE1 GLN B 141 -0.530 10.409 -3.385 1.00 0.00 O ATOM 1358 NE2 GLN B 141 1.342 10.126 -2.283 1.00 0.00 N ATOM 0 H GLN B 141 -1.072 11.010 1.718 1.00 0.00 H new ATOM 0 HA GLN B 141 0.210 13.519 1.245 1.00 0.00 H new ATOM 0 HB2 GLN B 141 0.781 12.630 -0.903 1.00 0.00 H new ATOM 0 HB3 GLN B 141 1.017 11.395 0.318 1.00 0.00 H new ATOM 0 HG2 GLN B 141 -0.858 10.133 -0.415 1.00 0.00 H new ATOM 0 HG3 GLN B 141 -1.538 11.480 -1.305 1.00 0.00 H new ATOM 0 HE21 GLN B 141 1.862 10.181 -1.407 1.00 0.00 H new ATOM 0 HE22 GLN B 141 1.803 9.794 -3.130 1.00 0.00 H new ATOM 1367 N LEU B 142 -2.875 13.409 0.273 1.00 0.00 N ATOM 1368 CA LEU B 142 -3.994 14.276 -0.129 1.00 0.00 C ATOM 1369 C LEU B 142 -4.240 15.427 0.868 1.00 0.00 C ATOM 1370 O LEU B 142 -4.508 16.551 0.444 1.00 0.00 O ATOM 1371 CB LEU B 142 -5.268 13.416 -0.314 1.00 0.00 C ATOM 1372 CG LEU B 142 -5.534 12.958 -1.759 1.00 0.00 C ATOM 1373 CD1 LEU B 142 -4.394 12.158 -2.396 1.00 0.00 C ATOM 1374 CD2 LEU B 142 -6.795 12.086 -1.803 1.00 0.00 C ATOM 0 H LEU B 142 -3.181 12.519 0.666 1.00 0.00 H new ATOM 0 HA LEU B 142 -3.731 14.748 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -5.190 12.535 0.323 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -6.128 13.987 0.035 1.00 0.00 H new ATOM 0 HG LEU B 142 -5.644 13.878 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU B 142 -4.670 11.878 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU B 142 -3.491 12.768 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU B 142 -4.209 11.258 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU B 142 -6.979 11.764 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU B 142 -6.655 11.211 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU B 142 -7.648 12.662 -1.445 1.00 0.00 H new ATOM 1386 N GLU B 143 -4.152 15.171 2.180 1.00 0.00 N ATOM 1387 CA GLU B 143 -4.347 16.185 3.232 1.00 0.00 C ATOM 1388 C GLU B 143 -3.155 17.150 3.384 1.00 0.00 C ATOM 1389 O GLU B 143 -3.348 18.323 3.725 1.00 0.00 O ATOM 1390 CB GLU B 143 -4.625 15.491 4.582 1.00 0.00 C ATOM 1391 CG GLU B 143 -6.016 14.839 4.685 1.00 0.00 C ATOM 1392 CD GLU B 143 -7.141 15.826 5.074 1.00 0.00 C ATOM 1393 OE1 GLU B 143 -7.082 17.025 4.705 1.00 0.00 O ATOM 1394 OE2 GLU B 143 -8.112 15.401 5.751 1.00 0.00 O1- ATOM 0 H GLU B 143 -3.941 14.243 2.548 1.00 0.00 H new ATOM 0 HA GLU B 143 -5.202 16.788 2.926 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -3.865 14.727 4.748 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -4.520 16.224 5.382 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -6.263 14.380 3.728 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -5.978 14.038 5.423 1.00 0.00 H new ATOM 1401 N GLN B 144 -1.923 16.685 3.137 1.00 0.00 N ATOM 1402 CA GLN B 144 -0.694 17.494 3.190 1.00 0.00 C ATOM 1403 C GLN B 144 -0.662 18.588 2.100 1.00 0.00 C ATOM 1404 O GLN B 144 -1.115 18.386 0.966 1.00 0.00 O ATOM 1405 CB GLN B 144 0.534 16.575 3.085 1.00 0.00 C ATOM 1406 CG GLN B 144 0.790 15.786 4.384 1.00 0.00 C ATOM 1407 CD GLN B 144 1.693 14.566 4.202 1.00 0.00 C ATOM 1408 OE1 GLN B 144 2.255 14.298 3.145 1.00 0.00 O ATOM 1409 NE2 GLN B 144 1.874 13.769 5.237 1.00 0.00 N ATOM 0 H GLN B 144 -1.747 15.712 2.888 1.00 0.00 H new ATOM 0 HA GLN B 144 -0.676 18.013 4.148 1.00 0.00 H new ATOM 0 HB2 GLN B 144 0.392 15.876 2.261 1.00 0.00 H new ATOM 0 HB3 GLN B 144 1.413 17.174 2.847 1.00 0.00 H new ATOM 0 HG2 GLN B 144 1.241 16.453 5.119 1.00 0.00 H new ATOM 0 HG3 GLN B 144 -0.166 15.460 4.793 1.00 0.00 H new ATOM 0 HE21 GLN B 144 1.416 13.974 6.125 1.00 0.00 H new ATOM 0 HE22 GLN B 144 2.472 12.948 5.150 1.00 0.00 H new ATOM 1418 N GLY B 145 -0.087 19.751 2.434 1.00 0.00 N ATOM 1419 CA GLY B 145 0.087 20.913 1.545 1.00 0.00 C ATOM 1420 C GLY B 145 0.465 22.192 2.294 1.00 0.00 C ATOM 1421 O GLY B 145 -0.337 23.153 2.283 1.00 0.00 O ATOM 1422 OXT GLY B 145 1.558 22.220 2.904 1.00 0.00 O1- ATOM 0 H GLY B 145 0.286 19.917 3.369 1.00 0.00 H new ATOM 0 HA2 GLY B 145 0.860 20.688 0.810 1.00 0.00 H new ATOM 0 HA3 GLY B 145 -0.838 21.082 0.993 1.00 0.00 H new TER 1426 GLY B 145