USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 SER OG : rot -160:sc= -0.122 USER MOD Set 1.2: A 101 SER OG : rot -46:sc= 0.183 USER MOD Set 2.1: A 95 HIS : no HD1:sc= -0.138 X(o=-0.28,f=-0.28) USER MOD Set 2.2: A 102 SER OG : rot -170:sc= -0.142 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.0977 (180deg=-0.538) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.42 (180deg=0.45) USER MOD Single : A 3 THR OG1 : rot 22:sc= 0.876 USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000487) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.252 F(o=-0.99,f=-0.25) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0371) USER MOD Single : A 19 THR OG1 : rot 38:sc= 0.386 USER MOD Single : A 22 HIS : no HE2:sc= 1.28 K(o=1.3,f=-5.3!) USER MOD Single : A 28 TYR OH : rot -118:sc=0.000976 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -159:sc= -0.27 (180deg=-1.05) USER MOD Single : A 32 ASN : amide:sc= -0.0575 K(o=-0.058,f=-1.9!) USER MOD Single : A 33 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.16) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 141:sc= -1.05 (180deg=-3.25!) USER MOD Single : A 41 HIS : no HD1:sc= -0.0785 X(o=-0.079,f=0) USER MOD Single : A 42 THR OG1 : rot 116:sc= 1.04 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0264 USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= -1.05 (180deg=-1.64) USER MOD Single : A 55 SER OG : rot 37:sc= 0.611 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot -76:sc= -0.8! USER MOD Single : A 64 HIS : no HD1:sc= -0.0672 X(o=-0.067,f=0.0024) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -86:sc= 1.24 USER MOD Single : A 68 HIS : no HD1:sc= -0.346 K(o=-0.35,f=-1.5) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -160:sc= -0.0729 USER MOD Single : A 76 CYS SG : rot 36:sc= -7.5! USER MOD Single : A 77 SER OG : rot -36:sc= 1.31 USER MOD Single : A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 SER OG : rot -176:sc= -4.42! USER MOD Single : A 82 THR OG1 : rot 160:sc= 0.906 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.95 F(o=-1.6!,f=-0.95) USER MOD Single : A 89 SER OG : rot -39:sc= 0.601 USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= 0.467 (180deg=0.191) USER MOD Single : A 100 LYS NZ :NH3+ -173:sc= -1.32! (180deg=-1.46!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.715 12.065 -13.472 1.00 7.43 N ATOM 2 CA MET A 1 13.604 12.421 -14.904 1.00 7.42 C ATOM 3 C MET A 1 13.071 11.238 -15.706 1.00 7.11 C ATOM 4 O MET A 1 11.926 11.246 -16.153 1.00 7.15 O ATOM 5 CB MET A 1 14.962 12.857 -15.473 1.00 7.88 C ATOM 6 CG MET A 1 15.526 14.122 -14.839 1.00 8.36 C ATOM 7 SD MET A 1 16.133 13.859 -13.160 1.00 9.39 S ATOM 8 CE MET A 1 17.554 12.808 -13.466 1.00 9.95 C ATOM 0 H1 MET A 1 14.470 12.628 -13.032 1.00 7.43 H new ATOM 0 H2 MET A 1 12.813 12.262 -12.994 1.00 7.43 H new ATOM 0 H3 MET A 1 13.940 11.054 -13.382 1.00 7.43 H new ATOM 0 HA MET A 1 12.908 13.256 -14.985 1.00 7.42 H new ATOM 0 HB2 MET A 1 15.678 12.046 -15.338 1.00 7.88 H new ATOM 0 HB3 MET A 1 14.860 13.016 -16.546 1.00 7.88 H new ATOM 0 HG2 MET A 1 16.339 14.501 -15.458 1.00 8.36 H new ATOM 0 HG3 MET A 1 14.753 14.890 -14.824 1.00 8.36 H new ATOM 0 HE1 MET A 1 18.235 12.861 -12.617 1.00 9.95 H new ATOM 0 HE2 MET A 1 17.223 11.778 -13.602 1.00 9.95 H new ATOM 0 HE3 MET A 1 18.069 13.145 -14.366 1.00 9.95 H new ATOM 20 N ALA A 2 13.890 10.203 -15.849 1.00 7.11 N ATOM 21 CA ALA A 2 13.537 9.061 -16.685 1.00 7.16 C ATOM 22 C ALA A 2 12.741 8.017 -15.912 1.00 6.34 C ATOM 23 O ALA A 2 12.565 6.899 -16.392 1.00 6.43 O ATOM 24 CB ALA A 2 14.793 8.436 -17.271 1.00 7.97 C ATOM 0 H ALA A 2 14.802 10.130 -15.398 1.00 7.11 H new ATOM 0 HA ALA A 2 12.903 9.425 -17.493 1.00 7.16 H new ATOM 0 HB1 ALA A 2 14.519 7.584 -17.894 1.00 7.97 H new ATOM 0 HB2 ALA A 2 15.318 9.174 -17.877 1.00 7.97 H new ATOM 0 HB3 ALA A 2 15.443 8.101 -16.463 1.00 7.97 H new ATOM 30 N THR A 3 12.240 8.407 -14.737 1.00 5.73 N ATOM 31 CA THR A 3 11.470 7.525 -13.854 1.00 5.02 C ATOM 32 C THR A 3 12.184 6.196 -13.603 1.00 3.93 C ATOM 33 O THR A 3 12.078 5.255 -14.390 1.00 3.57 O ATOM 34 CB THR A 3 10.031 7.272 -14.377 1.00 5.39 C ATOM 35 OG1 THR A 3 10.047 6.838 -15.745 1.00 6.16 O ATOM 36 CG2 THR A 3 9.186 8.531 -14.258 1.00 5.37 C ATOM 0 H THR A 3 12.358 9.351 -14.368 1.00 5.73 H new ATOM 0 HA THR A 3 11.391 8.053 -12.904 1.00 5.02 H new ATOM 0 HB THR A 3 9.593 6.485 -13.762 1.00 5.39 H new ATOM 0 HG1 THR A 3 10.928 6.468 -15.960 1.00 6.16 H new ATOM 0 HG21 THR A 3 8.181 8.331 -14.630 1.00 5.37 H new ATOM 0 HG22 THR A 3 9.132 8.835 -13.213 1.00 5.37 H new ATOM 0 HG23 THR A 3 9.638 9.330 -14.846 1.00 5.37 H new ATOM 44 N GLU A 4 12.917 6.131 -12.499 1.00 3.59 N ATOM 45 CA GLU A 4 13.702 4.953 -12.173 1.00 2.75 C ATOM 46 C GLU A 4 12.832 3.943 -11.436 1.00 1.95 C ATOM 47 O GLU A 4 12.377 4.203 -10.323 1.00 2.29 O ATOM 48 CB GLU A 4 14.912 5.355 -11.330 1.00 3.20 C ATOM 49 CG GLU A 4 15.762 6.429 -11.996 1.00 4.01 C ATOM 50 CD GLU A 4 16.875 6.948 -11.110 1.00 4.54 C ATOM 51 OE1 GLU A 4 16.572 7.532 -10.052 1.00 5.13 O ATOM 52 OE2 GLU A 4 18.057 6.811 -11.490 1.00 4.73 O ATOM 0 H GLU A 4 12.983 6.884 -11.814 1.00 3.59 H new ATOM 0 HA GLU A 4 14.064 4.488 -13.090 1.00 2.75 H new ATOM 0 HB2 GLU A 4 14.570 5.718 -10.361 1.00 3.20 H new ATOM 0 HB3 GLU A 4 15.527 4.475 -11.142 1.00 3.20 H new ATOM 0 HG2 GLU A 4 16.194 6.024 -12.911 1.00 4.01 H new ATOM 0 HG3 GLU A 4 15.121 7.261 -12.287 1.00 4.01 H new ATOM 59 N PRO A 5 12.575 2.788 -12.066 1.00 1.30 N ATOM 60 CA PRO A 5 11.644 1.784 -11.542 1.00 1.21 C ATOM 61 C PRO A 5 12.134 1.126 -10.256 1.00 0.86 C ATOM 62 O PRO A 5 13.180 0.473 -10.234 1.00 0.92 O ATOM 63 CB PRO A 5 11.559 0.751 -12.669 1.00 1.76 C ATOM 64 CG PRO A 5 12.830 0.907 -13.424 1.00 1.77 C ATOM 65 CD PRO A 5 13.178 2.365 -13.342 1.00 1.57 C ATOM 0 HA PRO A 5 10.687 2.232 -11.276 1.00 1.21 H new ATOM 0 HB2 PRO A 5 11.456 -0.259 -12.273 1.00 1.76 H new ATOM 0 HB3 PRO A 5 10.695 0.933 -13.308 1.00 1.76 H new ATOM 0 HG2 PRO A 5 13.619 0.292 -12.992 1.00 1.77 H new ATOM 0 HG3 PRO A 5 12.711 0.591 -14.460 1.00 1.77 H new ATOM 0 HD2 PRO A 5 14.257 2.522 -13.348 1.00 1.57 H new ATOM 0 HD3 PRO A 5 12.770 2.924 -14.184 1.00 1.57 H new ATOM 73 N PRO A 6 11.386 1.308 -9.161 1.00 0.66 N ATOM 74 CA PRO A 6 11.664 0.638 -7.890 1.00 0.47 C ATOM 75 C PRO A 6 11.435 -0.865 -8.007 1.00 0.48 C ATOM 76 O PRO A 6 10.676 -1.318 -8.868 1.00 0.62 O ATOM 77 CB PRO A 6 10.666 1.276 -6.912 1.00 0.59 C ATOM 78 CG PRO A 6 10.183 2.511 -7.603 1.00 0.87 C ATOM 79 CD PRO A 6 10.218 2.191 -9.065 1.00 0.84 C ATOM 0 HA PRO A 6 12.699 0.756 -7.568 1.00 0.47 H new ATOM 0 HB2 PRO A 6 9.841 0.599 -6.692 1.00 0.59 H new ATOM 0 HB3 PRO A 6 11.143 1.516 -5.962 1.00 0.59 H new ATOM 0 HG2 PRO A 6 9.174 2.771 -7.282 1.00 0.87 H new ATOM 0 HG3 PRO A 6 10.821 3.364 -7.373 1.00 0.87 H new ATOM 0 HD2 PRO A 6 9.305 1.696 -9.395 1.00 0.84 H new ATOM 0 HD3 PRO A 6 10.333 3.087 -9.675 1.00 0.84 H new ATOM 87 N LYS A 7 12.069 -1.641 -7.146 1.00 0.45 N ATOM 88 CA LYS A 7 12.021 -3.082 -7.277 1.00 0.52 C ATOM 89 C LYS A 7 11.378 -3.675 -6.049 1.00 0.42 C ATOM 90 O LYS A 7 12.055 -4.031 -5.084 1.00 0.42 O ATOM 91 CB LYS A 7 13.425 -3.652 -7.476 1.00 0.65 C ATOM 92 CG LYS A 7 13.459 -4.911 -8.325 1.00 1.24 C ATOM 93 CD LYS A 7 12.796 -4.687 -9.679 1.00 1.37 C ATOM 94 CE LYS A 7 13.377 -3.481 -10.406 1.00 1.70 C ATOM 95 NZ LYS A 7 14.817 -3.658 -10.729 1.00 2.49 N ATOM 0 H LYS A 7 12.618 -1.300 -6.357 1.00 0.45 H new ATOM 0 HA LYS A 7 11.427 -3.341 -8.153 1.00 0.52 H new ATOM 0 HB2 LYS A 7 14.053 -2.893 -7.943 1.00 0.65 H new ATOM 0 HB3 LYS A 7 13.860 -3.870 -6.501 1.00 0.65 H new ATOM 0 HG2 LYS A 7 14.492 -5.225 -8.472 1.00 1.24 H new ATOM 0 HG3 LYS A 7 12.952 -5.720 -7.799 1.00 1.24 H new ATOM 0 HD2 LYS A 7 12.921 -5.577 -10.296 1.00 1.37 H new ATOM 0 HD3 LYS A 7 11.724 -4.544 -9.539 1.00 1.37 H new ATOM 0 HE2 LYS A 7 12.819 -3.311 -11.326 1.00 1.70 H new ATOM 0 HE3 LYS A 7 13.252 -2.592 -9.788 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 15.164 -2.820 -11.238 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 15.358 -3.778 -9.849 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 14.938 -4.500 -11.327 1.00 2.49 H new ATOM 109 N ILE A 8 10.064 -3.761 -6.081 1.00 0.41 N ATOM 110 CA ILE A 8 9.321 -4.165 -4.911 1.00 0.34 C ATOM 111 C ILE A 8 9.197 -5.679 -4.847 1.00 0.36 C ATOM 112 O ILE A 8 8.817 -6.336 -5.820 1.00 0.48 O ATOM 113 CB ILE A 8 7.928 -3.502 -4.857 1.00 0.45 C ATOM 114 CG1 ILE A 8 8.060 -2.004 -5.148 1.00 0.72 C ATOM 115 CG2 ILE A 8 7.299 -3.720 -3.487 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.781 -1.233 -4.065 1.00 0.39 C ATOM 0 H ILE A 8 9.493 -3.557 -6.901 1.00 0.41 H new ATOM 0 HA ILE A 8 9.879 -3.824 -4.039 1.00 0.34 H new ATOM 0 HB ILE A 8 7.284 -3.955 -5.611 1.00 0.45 H new ATOM 0 HG12 ILE A 8 8.592 -1.872 -6.090 1.00 0.72 H new ATOM 0 HG13 ILE A 8 7.065 -1.580 -5.281 1.00 0.72 H new ATOM 0 HG21 ILE A 8 6.317 -3.249 -3.459 1.00 0.36 H new ATOM 0 HG22 ILE A 8 7.194 -4.789 -3.301 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.935 -3.279 -2.720 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.835 -0.180 -4.342 1.00 0.39 H new ATOM 0 HD12 ILE A 8 8.239 -1.333 -3.125 1.00 0.39 H new ATOM 0 HD13 ILE A 8 9.789 -1.629 -3.946 1.00 0.39 H new ATOM 128 N VAL A 9 9.551 -6.211 -3.697 1.00 0.31 N ATOM 129 CA VAL A 9 9.569 -7.635 -3.454 1.00 0.36 C ATOM 130 C VAL A 9 8.367 -8.029 -2.621 1.00 0.34 C ATOM 131 O VAL A 9 7.974 -7.301 -1.716 1.00 0.47 O ATOM 132 CB VAL A 9 10.850 -8.025 -2.693 1.00 0.41 C ATOM 133 CG1 VAL A 9 10.944 -9.528 -2.501 1.00 0.89 C ATOM 134 CG2 VAL A 9 12.068 -7.496 -3.422 1.00 0.86 C ATOM 0 H VAL A 9 9.839 -5.655 -2.892 1.00 0.31 H new ATOM 0 HA VAL A 9 9.541 -8.152 -4.413 1.00 0.36 H new ATOM 0 HB VAL A 9 10.810 -7.573 -1.702 1.00 0.41 H new ATOM 0 HG11 VAL A 9 11.859 -9.769 -1.961 1.00 0.89 H new ATOM 0 HG12 VAL A 9 10.083 -9.876 -1.930 1.00 0.89 H new ATOM 0 HG13 VAL A 9 10.957 -10.019 -3.474 1.00 0.89 H new ATOM 0 HG21 VAL A 9 12.969 -7.777 -2.876 1.00 0.86 H new ATOM 0 HG22 VAL A 9 12.104 -7.920 -4.425 1.00 0.86 H new ATOM 0 HG23 VAL A 9 12.008 -6.410 -3.489 1.00 0.86 H new ATOM 144 N TRP A 10 7.782 -9.164 -2.928 1.00 0.33 N ATOM 145 CA TRP A 10 6.678 -9.665 -2.141 1.00 0.31 C ATOM 146 C TRP A 10 7.184 -10.713 -1.164 1.00 0.34 C ATOM 147 O TRP A 10 7.595 -11.803 -1.560 1.00 0.42 O ATOM 148 CB TRP A 10 5.597 -10.241 -3.055 1.00 0.38 C ATOM 149 CG TRP A 10 4.402 -10.807 -2.332 1.00 0.41 C ATOM 150 CD1 TRP A 10 4.069 -10.637 -1.016 1.00 0.40 C ATOM 151 CD2 TRP A 10 3.370 -11.620 -2.901 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.916 -11.322 -0.728 1.00 0.46 N ATOM 153 CE2 TRP A 10 2.463 -11.928 -1.869 1.00 0.52 C ATOM 154 CE3 TRP A 10 3.129 -12.131 -4.180 1.00 0.60 C ATOM 155 CZ2 TRP A 10 1.335 -12.714 -2.077 1.00 0.62 C ATOM 156 CZ3 TRP A 10 2.006 -12.908 -4.386 1.00 0.71 C ATOM 157 CH2 TRP A 10 1.123 -13.197 -3.338 1.00 0.72 C ATOM 0 H TRP A 10 8.051 -9.756 -3.714 1.00 0.33 H new ATOM 0 HA TRP A 10 6.235 -8.847 -1.573 1.00 0.31 H new ATOM 0 HB2 TRP A 10 5.258 -9.458 -3.733 1.00 0.38 H new ATOM 0 HB3 TRP A 10 6.039 -11.025 -3.669 1.00 0.38 H new ATOM 0 HD1 TRP A 10 4.632 -10.049 -0.307 1.00 0.40 H new ATOM 0 HE1 TRP A 10 2.469 -11.372 0.187 1.00 0.46 H new ATOM 0 HE3 TRP A 10 3.809 -11.922 -4.992 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 0.651 -12.935 -1.271 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 1.805 -13.300 -5.372 1.00 0.71 H new ATOM 0 HH2 TRP A 10 0.257 -13.814 -3.530 1.00 0.72 H new ATOM 168 N ASN A 11 7.167 -10.367 0.113 1.00 0.34 N ATOM 169 CA ASN A 11 7.571 -11.289 1.151 1.00 0.43 C ATOM 170 C ASN A 11 6.346 -12.067 1.600 1.00 0.45 C ATOM 171 O ASN A 11 5.633 -11.659 2.525 1.00 0.46 O ATOM 172 CB ASN A 11 8.205 -10.547 2.329 1.00 0.47 C ATOM 173 CG ASN A 11 9.020 -11.469 3.214 1.00 0.63 C ATOM 174 OD1 ASN A 11 8.389 -12.034 4.228 1.00 1.39 O flip ATOM 175 ND2 ASN A 11 10.211 -11.673 2.989 1.00 1.08 N flip ATOM 0 H ASN A 11 6.876 -9.450 0.452 1.00 0.34 H new ATOM 0 HA ASN A 11 8.324 -11.974 0.761 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.845 -9.749 1.952 1.00 0.47 H new ATOM 0 HB3 ASN A 11 7.422 -10.075 2.922 1.00 0.47 H new ATOM 0 HD21 ASN A 11 10.665 -11.219 2.196 1.00 1.08 H new ATOM 0 HD22 ASN A 11 10.745 -12.296 3.595 1.00 1.08 H new ATOM 182 N GLU A 12 6.094 -13.172 0.914 1.00 0.53 N ATOM 183 CA GLU A 12 4.870 -13.942 1.082 1.00 0.59 C ATOM 184 C GLU A 12 4.715 -14.430 2.517 1.00 0.62 C ATOM 185 O GLU A 12 3.603 -14.510 3.034 1.00 0.65 O ATOM 186 CB GLU A 12 4.863 -15.126 0.115 1.00 0.76 C ATOM 187 CG GLU A 12 5.069 -14.723 -1.340 1.00 1.09 C ATOM 188 CD GLU A 12 5.129 -15.912 -2.274 1.00 1.43 C ATOM 189 OE1 GLU A 12 6.195 -16.557 -2.358 1.00 1.92 O ATOM 190 OE2 GLU A 12 4.110 -16.215 -2.924 1.00 1.71 O ATOM 0 H GLU A 12 6.735 -13.561 0.223 1.00 0.53 H new ATOM 0 HA GLU A 12 4.025 -13.291 0.859 1.00 0.59 H new ATOM 0 HB2 GLU A 12 5.647 -15.826 0.404 1.00 0.76 H new ATOM 0 HB3 GLU A 12 3.914 -15.654 0.207 1.00 0.76 H new ATOM 0 HG2 GLU A 12 4.257 -14.065 -1.649 1.00 1.09 H new ATOM 0 HG3 GLU A 12 5.993 -14.151 -1.427 1.00 1.09 H new ATOM 197 N GLY A 13 5.839 -14.712 3.167 1.00 0.65 N ATOM 198 CA GLY A 13 5.814 -15.204 4.532 1.00 0.73 C ATOM 199 C GLY A 13 5.288 -14.180 5.527 1.00 0.70 C ATOM 200 O GLY A 13 4.984 -14.518 6.667 1.00 0.80 O ATOM 0 H GLY A 13 6.773 -14.608 2.770 1.00 0.65 H new ATOM 0 HA2 GLY A 13 5.193 -16.098 4.578 1.00 0.73 H new ATOM 0 HA3 GLY A 13 6.822 -15.500 4.823 1.00 0.73 H new ATOM 204 N LYS A 14 5.179 -12.927 5.097 1.00 0.59 N ATOM 205 CA LYS A 14 4.674 -11.868 5.967 1.00 0.59 C ATOM 206 C LYS A 14 3.471 -11.184 5.339 1.00 0.51 C ATOM 207 O LYS A 14 2.967 -10.200 5.878 1.00 0.55 O ATOM 208 CB LYS A 14 5.760 -10.824 6.243 1.00 0.61 C ATOM 209 CG LYS A 14 6.964 -11.356 6.997 1.00 0.86 C ATOM 210 CD LYS A 14 6.584 -11.876 8.375 1.00 1.21 C ATOM 211 CE LYS A 14 7.761 -12.545 9.065 1.00 1.26 C ATOM 212 NZ LYS A 14 8.881 -11.599 9.320 1.00 1.79 N ATOM 0 H LYS A 14 5.432 -12.620 4.158 1.00 0.59 H new ATOM 0 HA LYS A 14 4.375 -12.330 6.908 1.00 0.59 H new ATOM 0 HB2 LYS A 14 6.096 -10.408 5.293 1.00 0.61 H new ATOM 0 HB3 LYS A 14 5.323 -10.005 6.813 1.00 0.61 H new ATOM 0 HG2 LYS A 14 7.428 -12.157 6.422 1.00 0.86 H new ATOM 0 HG3 LYS A 14 7.707 -10.565 7.099 1.00 0.86 H new ATOM 0 HD2 LYS A 14 6.223 -11.051 8.989 1.00 1.21 H new ATOM 0 HD3 LYS A 14 5.763 -12.588 8.282 1.00 1.21 H new ATOM 0 HE2 LYS A 14 7.429 -12.974 10.010 1.00 1.26 H new ATOM 0 HE3 LYS A 14 8.119 -13.370 8.449 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 9.631 -12.085 9.852 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 9.262 -11.260 8.414 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 8.533 -10.790 9.873 1.00 1.79 H new ATOM 226 N ARG A 15 3.023 -11.711 4.197 1.00 0.45 N ATOM 227 CA ARG A 15 1.914 -11.117 3.448 1.00 0.44 C ATOM 228 C ARG A 15 2.212 -9.658 3.109 1.00 0.37 C ATOM 229 O ARG A 15 1.305 -8.831 3.074 1.00 0.52 O ATOM 230 CB ARG A 15 0.616 -11.183 4.263 1.00 0.56 C ATOM 231 CG ARG A 15 0.133 -12.587 4.580 1.00 0.66 C ATOM 232 CD ARG A 15 -1.089 -12.544 5.486 1.00 0.87 C ATOM 233 NE ARG A 15 -1.743 -13.849 5.613 1.00 1.83 N ATOM 234 CZ ARG A 15 -2.820 -14.070 6.370 1.00 2.36 C ATOM 235 NH1 ARG A 15 -3.296 -13.106 7.146 1.00 2.32 N ATOM 236 NH2 ARG A 15 -3.400 -15.266 6.382 1.00 3.42 N ATOM 0 H ARG A 15 3.413 -12.551 3.770 1.00 0.45 H new ATOM 0 HA ARG A 15 1.794 -11.686 2.526 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.764 -10.645 5.199 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.167 -10.660 3.715 1.00 0.56 H new ATOM 0 HG2 ARG A 15 -0.112 -13.110 3.656 1.00 0.66 H new ATOM 0 HG3 ARG A 15 0.931 -13.151 5.064 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -0.792 -12.193 6.474 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -1.803 -11.821 5.092 1.00 0.87 H new ATOM 0 HE ARG A 15 -1.352 -14.635 5.093 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -2.839 -12.194 7.165 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -4.119 -13.276 7.724 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -3.022 -16.022 5.810 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -4.223 -15.428 6.963 1.00 3.42 H new ATOM 250 N ARG A 16 3.472 -9.340 2.836 1.00 0.27 N ATOM 251 CA ARG A 16 3.859 -7.944 2.702 1.00 0.24 C ATOM 252 C ARG A 16 4.781 -7.713 1.511 1.00 0.23 C ATOM 253 O ARG A 16 5.392 -8.643 0.997 1.00 0.29 O ATOM 254 CB ARG A 16 4.535 -7.473 3.992 1.00 0.33 C ATOM 255 CG ARG A 16 6.003 -7.832 4.115 1.00 0.55 C ATOM 256 CD ARG A 16 6.583 -7.232 5.382 1.00 0.68 C ATOM 257 NE ARG A 16 8.021 -7.438 5.489 1.00 0.91 N ATOM 258 CZ ARG A 16 8.652 -7.673 6.634 1.00 1.02 C ATOM 259 NH1 ARG A 16 7.961 -7.786 7.766 1.00 1.02 N ATOM 260 NH2 ARG A 16 9.970 -7.792 6.645 1.00 1.86 N ATOM 0 H ARG A 16 4.227 -10.014 2.706 1.00 0.27 H new ATOM 0 HA ARG A 16 2.954 -7.364 2.524 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.434 -6.390 4.062 1.00 0.33 H new ATOM 0 HB3 ARG A 16 4.000 -7.899 4.841 1.00 0.33 H new ATOM 0 HG2 ARG A 16 6.120 -8.916 4.130 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.549 -7.464 3.246 1.00 0.55 H new ATOM 0 HD2 ARG A 16 6.370 -6.163 5.405 1.00 0.68 H new ATOM 0 HD3 ARG A 16 6.090 -7.674 6.248 1.00 0.68 H new ATOM 0 HE ARG A 16 8.576 -7.400 4.634 1.00 0.91 H new ATOM 0 HH11 ARG A 16 6.945 -7.692 7.755 1.00 1.02 H new ATOM 0 HH12 ARG A 16 8.447 -7.966 8.644 1.00 1.02 H new ATOM 0 HH21 ARG A 16 10.497 -7.703 5.776 1.00 1.86 H new ATOM 0 HH22 ARG A 16 10.458 -7.972 7.522 1.00 1.86 H new ATOM 274 N PHE A 17 4.865 -6.462 1.084 1.00 0.23 N ATOM 275 CA PHE A 17 5.772 -6.062 0.018 1.00 0.24 C ATOM 276 C PHE A 17 6.886 -5.207 0.600 1.00 0.30 C ATOM 277 O PHE A 17 6.653 -4.440 1.527 1.00 0.55 O ATOM 278 CB PHE A 17 5.054 -5.245 -1.062 1.00 0.28 C ATOM 279 CG PHE A 17 3.821 -5.885 -1.630 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.895 -7.089 -2.308 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.585 -5.272 -1.488 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.760 -7.674 -2.834 1.00 0.39 C ATOM 283 CE2 PHE A 17 1.447 -5.853 -2.014 1.00 0.40 C ATOM 284 CZ PHE A 17 1.534 -7.055 -2.688 1.00 0.41 C ATOM 0 H PHE A 17 4.308 -5.697 1.465 1.00 0.23 H new ATOM 0 HA PHE A 17 6.169 -6.970 -0.436 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.781 -4.277 -0.642 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.753 -5.054 -1.876 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.851 -7.577 -2.427 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.511 -4.332 -0.961 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.831 -8.615 -3.359 1.00 0.39 H new ATOM 0 HE2 PHE A 17 0.490 -5.367 -1.898 1.00 0.40 H new ATOM 0 HZ PHE A 17 0.645 -7.510 -3.100 1.00 0.41 H new ATOM 294 N GLU A 18 8.083 -5.336 0.059 1.00 0.22 N ATOM 295 CA GLU A 18 9.209 -4.516 0.485 1.00 0.25 C ATOM 296 C GLU A 18 9.965 -3.990 -0.716 1.00 0.29 C ATOM 297 O GLU A 18 10.100 -4.676 -1.718 1.00 0.39 O ATOM 298 CB GLU A 18 10.165 -5.300 1.389 1.00 0.34 C ATOM 299 CG GLU A 18 9.790 -6.756 1.590 1.00 1.08 C ATOM 300 CD GLU A 18 10.627 -7.416 2.664 1.00 0.96 C ATOM 301 OE1 GLU A 18 11.757 -7.845 2.359 1.00 0.85 O ATOM 302 OE2 GLU A 18 10.152 -7.528 3.812 1.00 1.16 O ATOM 0 H GLU A 18 8.304 -6.003 -0.680 1.00 0.22 H new ATOM 0 HA GLU A 18 8.806 -3.679 1.055 1.00 0.25 H new ATOM 0 HB2 GLU A 18 11.168 -5.252 0.964 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.207 -4.811 2.362 1.00 0.34 H new ATOM 0 HG2 GLU A 18 8.736 -6.825 1.859 1.00 1.08 H new ATOM 0 HG3 GLU A 18 9.915 -7.295 0.651 1.00 1.08 H new ATOM 309 N THR A 19 10.448 -2.771 -0.609 1.00 0.25 N ATOM 310 CA THR A 19 11.245 -2.166 -1.665 1.00 0.29 C ATOM 311 C THR A 19 12.569 -2.924 -1.830 1.00 0.35 C ATOM 312 O THR A 19 12.891 -3.807 -1.029 1.00 0.37 O ATOM 313 CB THR A 19 11.513 -0.677 -1.327 1.00 0.33 C ATOM 314 OG1 THR A 19 12.350 -0.041 -2.302 1.00 0.46 O ATOM 315 CG2 THR A 19 12.163 -0.560 0.035 1.00 0.37 C ATOM 0 H THR A 19 10.303 -2.172 0.204 1.00 0.25 H new ATOM 0 HA THR A 19 10.697 -2.223 -2.605 1.00 0.29 H new ATOM 0 HB THR A 19 10.547 -0.172 -1.329 1.00 0.33 H new ATOM 0 HG1 THR A 19 12.114 -0.365 -3.196 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.346 0.490 0.262 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.502 -0.984 0.791 1.00 0.37 H new ATOM 0 HG23 THR A 19 13.109 -1.102 0.034 1.00 0.37 H new ATOM 323 N GLU A 20 13.346 -2.562 -2.849 1.00 0.43 N ATOM 324 CA GLU A 20 14.670 -3.141 -3.075 1.00 0.53 C ATOM 325 C GLU A 20 15.601 -2.810 -1.920 1.00 0.56 C ATOM 326 O GLU A 20 16.726 -3.299 -1.834 1.00 0.68 O ATOM 327 CB GLU A 20 15.250 -2.608 -4.382 1.00 0.62 C ATOM 328 CG GLU A 20 15.400 -1.096 -4.421 1.00 0.77 C ATOM 329 CD GLU A 20 14.255 -0.422 -5.151 1.00 1.31 C ATOM 330 OE1 GLU A 20 13.086 -0.633 -4.764 1.00 1.90 O ATOM 331 OE2 GLU A 20 14.523 0.298 -6.136 1.00 1.83 O ATOM 0 H GLU A 20 13.077 -1.861 -3.540 1.00 0.43 H new ATOM 0 HA GLU A 20 14.572 -4.225 -3.140 1.00 0.53 H new ATOM 0 HB2 GLU A 20 16.226 -3.064 -4.547 1.00 0.62 H new ATOM 0 HB3 GLU A 20 14.609 -2.921 -5.206 1.00 0.62 H new ATOM 0 HG2 GLU A 20 15.454 -0.712 -3.402 1.00 0.77 H new ATOM 0 HG3 GLU A 20 16.340 -0.839 -4.909 1.00 0.77 H new ATOM 338 N ASP A 21 15.090 -1.990 -1.031 1.00 0.52 N ATOM 339 CA ASP A 21 15.823 -1.516 0.116 1.00 0.60 C ATOM 340 C ASP A 21 15.449 -2.329 1.353 1.00 0.54 C ATOM 341 O ASP A 21 16.217 -2.425 2.307 1.00 0.59 O ATOM 342 CB ASP A 21 15.526 -0.024 0.257 1.00 0.67 C ATOM 343 CG ASP A 21 15.487 0.478 1.681 1.00 0.97 C ATOM 344 OD1 ASP A 21 14.420 0.409 2.313 1.00 1.31 O ATOM 345 OD2 ASP A 21 16.554 0.894 2.177 1.00 1.39 O ATOM 0 H ASP A 21 14.138 -1.629 -1.087 1.00 0.52 H new ATOM 0 HA ASP A 21 16.898 -1.647 -0.005 1.00 0.60 H new ATOM 0 HB2 ASP A 21 16.283 0.537 -0.291 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.567 0.188 -0.216 1.00 0.67 H new ATOM 350 N HIS A 22 14.266 -2.943 1.292 1.00 0.45 N ATOM 351 CA HIS A 22 13.776 -3.877 2.315 1.00 0.45 C ATOM 352 C HIS A 22 13.529 -3.213 3.672 1.00 0.44 C ATOM 353 O HIS A 22 12.987 -3.844 4.579 1.00 0.51 O ATOM 354 CB HIS A 22 14.727 -5.070 2.476 1.00 0.57 C ATOM 355 CG HIS A 22 14.771 -5.976 1.281 1.00 0.64 C ATOM 356 ND1 HIS A 22 13.917 -7.048 1.114 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.572 -5.967 0.186 1.00 0.74 C ATOM 358 CE1 HIS A 22 14.191 -7.656 -0.025 1.00 0.76 C ATOM 359 NE2 HIS A 22 15.187 -7.020 -0.606 1.00 0.82 N ATOM 0 H HIS A 22 13.611 -2.806 0.522 1.00 0.45 H new ATOM 0 HA HIS A 22 12.811 -4.233 1.955 1.00 0.45 H new ATOM 0 HB2 HIS A 22 15.732 -4.697 2.675 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.424 -5.649 3.348 1.00 0.57 H new ATOM 0 HD1 HIS A 22 13.187 -7.327 1.770 1.00 0.65 H new ATOM 0 HD2 HIS A 22 16.364 -5.263 -0.023 1.00 0.74 H new ATOM 0 HE1 HIS A 22 13.685 -8.527 -0.414 1.00 0.76 H new ATOM 368 N GLU A 23 13.924 -1.959 3.821 1.00 0.47 N ATOM 369 CA GLU A 23 13.651 -1.223 5.044 1.00 0.52 C ATOM 370 C GLU A 23 12.290 -0.560 4.933 1.00 0.40 C ATOM 371 O GLU A 23 11.601 -0.334 5.930 1.00 0.49 O ATOM 372 CB GLU A 23 14.736 -0.180 5.302 1.00 0.69 C ATOM 373 CG GLU A 23 16.142 -0.758 5.335 1.00 0.84 C ATOM 374 CD GLU A 23 17.102 0.121 6.113 1.00 1.51 C ATOM 375 OE1 GLU A 23 16.665 0.821 7.051 1.00 1.72 O ATOM 376 OE2 GLU A 23 18.308 0.136 5.769 1.00 2.28 O ATOM 0 H GLU A 23 14.433 -1.431 3.112 1.00 0.47 H new ATOM 0 HA GLU A 23 13.649 -1.915 5.886 1.00 0.52 H new ATOM 0 HB2 GLU A 23 14.685 0.584 4.527 1.00 0.69 H new ATOM 0 HB3 GLU A 23 14.534 0.315 6.252 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.115 -1.751 5.784 1.00 0.84 H new ATOM 0 HG3 GLU A 23 16.508 -0.879 4.315 1.00 0.84 H new ATOM 383 N ALA A 24 11.921 -0.240 3.702 1.00 0.29 N ATOM 384 CA ALA A 24 10.585 0.228 3.399 1.00 0.22 C ATOM 385 C ALA A 24 9.718 -0.946 2.979 1.00 0.17 C ATOM 386 O ALA A 24 10.088 -1.707 2.081 1.00 0.19 O ATOM 387 CB ALA A 24 10.622 1.275 2.299 1.00 0.26 C ATOM 0 H ALA A 24 12.538 -0.298 2.892 1.00 0.29 H new ATOM 0 HA ALA A 24 10.160 0.687 4.292 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.608 1.614 2.085 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.228 2.122 2.623 1.00 0.26 H new ATOM 0 HB3 ALA A 24 11.057 0.841 1.398 1.00 0.26 H new ATOM 393 N PHE A 25 8.571 -1.095 3.616 1.00 0.14 N ATOM 394 CA PHE A 25 7.692 -2.212 3.322 1.00 0.15 C ATOM 395 C PHE A 25 6.245 -1.879 3.637 1.00 0.15 C ATOM 396 O PHE A 25 5.954 -0.918 4.354 1.00 0.17 O ATOM 397 CB PHE A 25 8.117 -3.472 4.090 1.00 0.23 C ATOM 398 CG PHE A 25 8.200 -3.302 5.582 1.00 0.30 C ATOM 399 CD1 PHE A 25 7.094 -3.535 6.380 1.00 0.39 C ATOM 400 CD2 PHE A 25 9.381 -2.892 6.182 1.00 0.37 C ATOM 401 CE1 PHE A 25 7.161 -3.367 7.749 1.00 0.49 C ATOM 402 CE2 PHE A 25 9.456 -2.725 7.551 1.00 0.47 C ATOM 403 CZ PHE A 25 8.366 -3.015 8.340 1.00 0.52 C ATOM 0 H PHE A 25 8.227 -0.460 4.337 1.00 0.14 H new ATOM 0 HA PHE A 25 7.775 -2.410 2.253 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.410 -4.272 3.868 1.00 0.23 H new ATOM 0 HB3 PHE A 25 9.090 -3.795 3.720 1.00 0.23 H new ATOM 0 HD1 PHE A 25 6.167 -3.852 5.926 1.00 0.39 H new ATOM 0 HD2 PHE A 25 10.252 -2.701 5.572 1.00 0.37 H new ATOM 0 HE1 PHE A 25 6.280 -3.509 8.357 1.00 0.49 H new ATOM 0 HE2 PHE A 25 10.370 -2.367 8.002 1.00 0.47 H new ATOM 0 HZ PHE A 25 8.448 -2.969 9.416 1.00 0.52 H new ATOM 413 N ILE A 26 5.351 -2.684 3.089 1.00 0.20 N ATOM 414 CA ILE A 26 3.929 -2.533 3.309 1.00 0.23 C ATOM 415 C ILE A 26 3.332 -3.879 3.696 1.00 0.23 C ATOM 416 O ILE A 26 3.576 -4.884 3.027 1.00 0.26 O ATOM 417 CB ILE A 26 3.235 -1.947 2.044 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.480 -0.684 2.420 1.00 0.41 C ATOM 419 CG2 ILE A 26 2.277 -2.937 1.373 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.263 -0.962 3.261 1.00 0.73 C ATOM 0 H ILE A 26 5.595 -3.463 2.477 1.00 0.20 H new ATOM 0 HA ILE A 26 3.762 -1.830 4.125 1.00 0.23 H new ATOM 0 HB ILE A 26 4.021 -1.726 1.322 1.00 0.31 H new ATOM 0 HG12 ILE A 26 3.147 -0.015 2.964 1.00 0.41 H new ATOM 0 HG13 ILE A 26 2.177 -0.163 1.512 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.825 -2.470 0.498 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.828 -3.826 1.066 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.495 -3.221 2.077 1.00 0.39 H new ATOM 0 HD11 ILE A 26 0.763 -0.023 3.499 1.00 0.73 H new ATOM 0 HD12 ILE A 26 0.579 -1.607 2.709 1.00 0.73 H new ATOM 0 HD13 ILE A 26 1.564 -1.457 4.184 1.00 0.73 H new ATOM 432 N GLU A 27 2.591 -3.913 4.793 1.00 0.22 N ATOM 433 CA GLU A 27 1.956 -5.147 5.230 1.00 0.23 C ATOM 434 C GLU A 27 0.474 -5.105 4.888 1.00 0.22 C ATOM 435 O GLU A 27 -0.090 -4.029 4.700 1.00 0.27 O ATOM 436 CB GLU A 27 2.150 -5.346 6.739 1.00 0.26 C ATOM 437 CG GLU A 27 1.602 -6.668 7.266 1.00 0.65 C ATOM 438 CD GLU A 27 1.750 -6.806 8.765 1.00 1.14 C ATOM 439 OE1 GLU A 27 2.883 -7.045 9.243 1.00 1.23 O ATOM 440 OE2 GLU A 27 0.730 -6.683 9.478 1.00 1.65 O ATOM 0 H GLU A 27 2.415 -3.107 5.393 1.00 0.22 H new ATOM 0 HA GLU A 27 2.419 -5.988 4.714 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.214 -5.288 6.969 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.664 -4.526 7.269 1.00 0.26 H new ATOM 0 HG2 GLU A 27 0.548 -6.751 7.000 1.00 0.65 H new ATOM 0 HG3 GLU A 27 2.121 -7.492 6.777 1.00 0.65 H new ATOM 447 N TYR A 28 -0.151 -6.268 4.771 1.00 0.23 N ATOM 448 CA TYR A 28 -1.588 -6.329 4.594 1.00 0.22 C ATOM 449 C TYR A 28 -2.117 -7.695 4.993 1.00 0.28 C ATOM 450 O TYR A 28 -1.388 -8.685 4.989 1.00 0.45 O ATOM 451 CB TYR A 28 -1.995 -6.001 3.146 1.00 0.29 C ATOM 452 CG TYR A 28 -1.497 -6.983 2.107 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.192 -8.156 1.841 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.324 -6.740 1.399 1.00 0.40 C ATOM 455 CE1 TYR A 28 -1.733 -9.057 0.901 1.00 0.56 C ATOM 456 CE2 TYR A 28 0.139 -7.638 0.456 1.00 0.50 C ATOM 457 CZ TYR A 28 -0.592 -8.781 0.188 1.00 0.60 C ATOM 458 OH TYR A 28 -0.114 -9.693 -0.725 1.00 0.70 O ATOM 0 H TYR A 28 0.314 -7.175 4.796 1.00 0.23 H new ATOM 0 HA TYR A 28 -2.031 -5.575 5.244 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -3.083 -5.956 3.091 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.622 -5.008 2.895 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.105 -8.366 2.378 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.234 -5.835 1.589 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.270 -9.977 0.727 1.00 0.56 H new ATOM 0 HE2 TYR A 28 1.064 -7.449 -0.068 1.00 0.50 H new ATOM 0 HH TYR A 28 0.779 -9.992 -0.452 1.00 0.70 H new ATOM 468 N LYS A 29 -3.385 -7.735 5.352 1.00 0.24 N ATOM 469 CA LYS A 29 -4.041 -8.976 5.708 1.00 0.32 C ATOM 470 C LYS A 29 -5.401 -9.041 5.047 1.00 0.25 C ATOM 471 O LYS A 29 -6.181 -8.091 5.102 1.00 0.31 O ATOM 472 CB LYS A 29 -4.161 -9.158 7.234 1.00 0.49 C ATOM 473 CG LYS A 29 -4.731 -7.969 8.005 1.00 0.58 C ATOM 474 CD LYS A 29 -3.762 -6.795 8.069 1.00 0.74 C ATOM 475 CE LYS A 29 -2.402 -7.179 8.645 1.00 1.09 C ATOM 476 NZ LYS A 29 -2.474 -7.516 10.091 1.00 1.52 N ATOM 0 H LYS A 29 -3.986 -6.913 5.405 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.423 -9.797 5.345 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -4.789 -10.027 7.428 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -3.172 -9.384 7.632 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -5.658 -7.645 7.533 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -4.982 -8.284 9.018 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -3.625 -6.388 7.067 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -4.198 -6.003 8.678 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -2.005 -8.032 8.095 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -1.704 -6.355 8.501 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -1.526 -7.770 10.436 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -2.827 -6.694 10.622 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -3.119 -8.320 10.228 1.00 1.52 H new ATOM 490 N MET A 30 -5.669 -10.154 4.395 1.00 0.32 N ATOM 491 CA MET A 30 -6.913 -10.331 3.680 1.00 0.27 C ATOM 492 C MET A 30 -7.998 -10.778 4.648 1.00 0.30 C ATOM 493 O MET A 30 -7.968 -11.893 5.170 1.00 0.39 O ATOM 494 CB MET A 30 -6.732 -11.365 2.572 1.00 0.36 C ATOM 495 CG MET A 30 -5.589 -11.049 1.622 1.00 1.00 C ATOM 496 SD MET A 30 -5.306 -12.362 0.418 1.00 1.12 S ATOM 497 CE MET A 30 -4.904 -13.734 1.501 1.00 1.85 C ATOM 0 H MET A 30 -5.037 -10.953 4.347 1.00 0.32 H new ATOM 0 HA MET A 30 -7.209 -9.384 3.228 1.00 0.27 H new ATOM 0 HB2 MET A 30 -6.558 -12.342 3.024 1.00 0.36 H new ATOM 0 HB3 MET A 30 -7.658 -11.438 2.001 1.00 0.36 H new ATOM 0 HG2 MET A 30 -5.805 -10.119 1.096 1.00 1.00 H new ATOM 0 HG3 MET A 30 -4.678 -10.886 2.197 1.00 1.00 H new ATOM 0 HE1 MET A 30 -4.354 -14.491 0.941 1.00 1.85 H new ATOM 0 HE2 MET A 30 -4.290 -13.377 2.328 1.00 1.85 H new ATOM 0 HE3 MET A 30 -5.823 -14.169 1.893 1.00 1.85 H new ATOM 507 N ARG A 31 -8.945 -9.896 4.880 1.00 0.29 N ATOM 508 CA ARG A 31 -10.029 -10.134 5.807 1.00 0.39 C ATOM 509 C ARG A 31 -11.211 -10.740 5.067 1.00 0.42 C ATOM 510 O ARG A 31 -11.316 -10.600 3.844 1.00 0.38 O ATOM 511 CB ARG A 31 -10.461 -8.817 6.455 1.00 0.46 C ATOM 512 CG ARG A 31 -9.381 -8.114 7.266 1.00 0.67 C ATOM 513 CD ARG A 31 -9.870 -6.746 7.719 1.00 0.66 C ATOM 514 NE ARG A 31 -8.895 -6.023 8.535 1.00 0.98 N ATOM 515 CZ ARG A 31 -9.203 -5.375 9.660 1.00 1.28 C ATOM 516 NH1 ARG A 31 -10.411 -5.505 10.193 1.00 1.41 N ATOM 517 NH2 ARG A 31 -8.293 -4.620 10.259 1.00 2.03 N ATOM 0 H ARG A 31 -8.984 -8.984 4.425 1.00 0.29 H new ATOM 0 HA ARG A 31 -9.688 -10.822 6.580 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.805 -8.140 5.673 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.314 -9.012 7.106 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -9.116 -8.719 8.133 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.478 -8.005 6.665 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -10.115 -6.147 6.842 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -10.791 -6.868 8.289 1.00 0.66 H new ATOM 0 HE ARG A 31 -7.923 -6.014 8.226 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -11.106 -6.101 9.743 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -10.645 -5.009 11.053 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -7.358 -4.535 9.860 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -8.528 -4.124 11.119 1.00 2.03 H new ATOM 531 N ASN A 32 -12.087 -11.408 5.808 1.00 0.55 N ATOM 532 CA ASN A 32 -13.310 -11.985 5.250 1.00 0.64 C ATOM 533 C ASN A 32 -12.980 -12.951 4.112 1.00 0.65 C ATOM 534 O ASN A 32 -13.381 -12.736 2.969 1.00 0.66 O ATOM 535 CB ASN A 32 -14.237 -10.870 4.741 1.00 0.64 C ATOM 536 CG ASN A 32 -15.679 -11.327 4.577 1.00 0.77 C ATOM 537 OD1 ASN A 32 -15.955 -12.491 4.290 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.612 -10.408 4.764 1.00 0.99 N ATOM 0 H ASN A 32 -11.973 -11.566 6.809 1.00 0.55 H new ATOM 0 HA ASN A 32 -13.819 -12.539 6.038 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.204 -10.031 5.436 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.866 -10.505 3.783 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.597 -10.655 4.671 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -16.346 -9.452 5.001 1.00 0.99 H new ATOM 545 N ASN A 33 -12.194 -13.984 4.428 1.00 0.73 N ATOM 546 CA ASN A 33 -11.782 -15.010 3.453 1.00 0.83 C ATOM 547 C ASN A 33 -10.878 -14.421 2.360 1.00 0.78 C ATOM 548 O ASN A 33 -10.353 -15.140 1.509 1.00 1.04 O ATOM 549 CB ASN A 33 -13.016 -15.698 2.840 1.00 0.95 C ATOM 550 CG ASN A 33 -12.665 -16.859 1.919 1.00 1.62 C ATOM 551 OD1 ASN A 33 -12.458 -17.985 2.372 1.00 1.82 O ATOM 552 ND2 ASN A 33 -12.618 -16.600 0.620 1.00 2.33 N ATOM 0 H ASN A 33 -11.823 -14.137 5.366 1.00 0.73 H new ATOM 0 HA ASN A 33 -11.198 -15.761 3.985 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -13.657 -16.062 3.643 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -13.593 -14.962 2.281 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -12.405 -17.347 -0.041 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -12.795 -15.654 0.282 1.00 2.33 H new ATOM 559 N GLY A 34 -10.670 -13.114 2.405 1.00 0.55 N ATOM 560 CA GLY A 34 -9.871 -12.452 1.400 1.00 0.52 C ATOM 561 C GLY A 34 -10.712 -11.632 0.448 1.00 0.48 C ATOM 562 O GLY A 34 -10.380 -11.494 -0.730 1.00 0.62 O ATOM 0 H GLY A 34 -11.044 -12.497 3.126 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.142 -11.805 1.887 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -9.310 -13.197 0.836 1.00 0.52 H new ATOM 566 N LYS A 35 -11.816 -11.101 0.956 1.00 0.40 N ATOM 567 CA LYS A 35 -12.657 -10.199 0.183 1.00 0.40 C ATOM 568 C LYS A 35 -12.248 -8.762 0.458 1.00 0.28 C ATOM 569 O LYS A 35 -12.504 -7.864 -0.342 1.00 0.28 O ATOM 570 CB LYS A 35 -14.135 -10.400 0.528 1.00 0.52 C ATOM 571 CG LYS A 35 -14.661 -11.780 0.176 1.00 0.67 C ATOM 572 CD LYS A 35 -14.560 -12.051 -1.316 1.00 0.85 C ATOM 573 CE LYS A 35 -15.091 -13.431 -1.663 1.00 1.14 C ATOM 574 NZ LYS A 35 -15.040 -13.694 -3.125 1.00 1.60 N ATOM 0 H LYS A 35 -12.150 -11.280 1.903 1.00 0.40 H new ATOM 0 HA LYS A 35 -12.523 -10.419 -0.876 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.277 -10.228 1.595 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.727 -9.650 0.003 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -14.097 -12.536 0.723 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.700 -11.866 0.493 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -15.122 -11.294 -1.864 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -13.520 -11.969 -1.633 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -14.507 -14.187 -1.138 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -16.119 -13.523 -1.313 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -15.411 -14.646 -3.320 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -15.617 -12.988 -3.625 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -14.056 -13.632 -3.455 1.00 1.60 H new ATOM 588 N VAL A 36 -11.608 -8.562 1.603 1.00 0.25 N ATOM 589 CA VAL A 36 -11.127 -7.249 2.004 1.00 0.19 C ATOM 590 C VAL A 36 -9.651 -7.317 2.363 1.00 0.16 C ATOM 591 O VAL A 36 -9.253 -8.098 3.199 1.00 0.22 O ATOM 592 CB VAL A 36 -11.940 -6.710 3.206 1.00 0.24 C ATOM 593 CG1 VAL A 36 -11.281 -5.478 3.810 1.00 0.31 C ATOM 594 CG2 VAL A 36 -13.360 -6.382 2.770 1.00 0.30 C ATOM 0 H VAL A 36 -11.409 -9.302 2.276 1.00 0.25 H new ATOM 0 HA VAL A 36 -11.258 -6.566 1.164 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.968 -7.486 3.970 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.876 -5.123 4.652 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -10.279 -5.734 4.155 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -11.216 -4.694 3.056 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.924 -6.004 3.622 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -13.334 -5.624 1.987 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.841 -7.283 2.388 1.00 0.30 H new ATOM 604 N MET A 37 -8.838 -6.513 1.720 1.00 0.15 N ATOM 605 CA MET A 37 -7.424 -6.461 2.034 1.00 0.18 C ATOM 606 C MET A 37 -7.128 -5.279 2.922 1.00 0.16 C ATOM 607 O MET A 37 -7.306 -4.129 2.529 1.00 0.17 O ATOM 608 CB MET A 37 -6.578 -6.398 0.764 1.00 0.24 C ATOM 609 CG MET A 37 -6.351 -7.754 0.117 1.00 0.51 C ATOM 610 SD MET A 37 -5.415 -7.659 -1.424 1.00 1.03 S ATOM 611 CE MET A 37 -3.965 -6.755 -0.894 1.00 1.66 C ATOM 0 H MET A 37 -9.130 -5.883 0.973 1.00 0.15 H new ATOM 0 HA MET A 37 -7.163 -7.376 2.566 1.00 0.18 H new ATOM 0 HB2 MET A 37 -7.065 -5.739 0.045 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.612 -5.952 1.002 1.00 0.24 H new ATOM 0 HG2 MET A 37 -5.821 -8.399 0.817 1.00 0.51 H new ATOM 0 HG3 MET A 37 -7.316 -8.222 -0.080 1.00 0.51 H new ATOM 0 HE1 MET A 37 -3.082 -7.165 -1.383 1.00 1.66 H new ATOM 0 HE2 MET A 37 -4.073 -5.704 -1.162 1.00 1.66 H new ATOM 0 HE3 MET A 37 -3.856 -6.844 0.187 1.00 1.66 H new ATOM 621 N ASP A 38 -6.689 -5.572 4.123 1.00 0.17 N ATOM 622 CA ASP A 38 -6.378 -4.543 5.090 1.00 0.18 C ATOM 623 C ASP A 38 -4.915 -4.175 4.971 1.00 0.18 C ATOM 624 O ASP A 38 -4.038 -4.938 5.367 1.00 0.20 O ATOM 625 CB ASP A 38 -6.711 -5.056 6.490 1.00 0.24 C ATOM 626 CG ASP A 38 -6.491 -4.031 7.588 1.00 0.32 C ATOM 627 OD1 ASP A 38 -6.730 -2.832 7.357 1.00 0.81 O ATOM 628 OD2 ASP A 38 -6.114 -4.440 8.711 1.00 0.97 O ATOM 0 H ASP A 38 -6.538 -6.524 4.457 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.972 -3.648 4.902 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.752 -5.378 6.510 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -6.101 -5.935 6.699 1.00 0.24 H new ATOM 633 N LEU A 39 -4.670 -3.011 4.402 1.00 0.18 N ATOM 634 CA LEU A 39 -3.323 -2.539 4.144 1.00 0.19 C ATOM 635 C LEU A 39 -2.781 -1.874 5.386 1.00 0.20 C ATOM 636 O LEU A 39 -3.213 -0.787 5.763 1.00 0.28 O ATOM 637 CB LEU A 39 -3.306 -1.568 2.955 1.00 0.20 C ATOM 638 CG LEU A 39 -3.302 -2.208 1.565 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.333 -3.317 1.444 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.545 -1.145 0.507 1.00 0.22 C ATOM 0 H LEU A 39 -5.401 -2.364 4.105 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.689 -3.388 3.887 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -4.177 -0.917 3.031 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.425 -0.933 3.043 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.322 -2.660 1.411 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.294 -3.742 0.441 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -4.118 -4.095 2.176 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.328 -2.911 1.628 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.541 -1.607 -0.480 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.511 -0.671 0.682 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.758 -0.393 0.559 1.00 0.22 H new ATOM 652 N VAL A 40 -1.819 -2.516 6.002 1.00 0.17 N ATOM 653 CA VAL A 40 -1.356 -2.117 7.308 1.00 0.20 C ATOM 654 C VAL A 40 0.111 -1.715 7.282 1.00 0.18 C ATOM 655 O VAL A 40 0.980 -2.509 6.939 1.00 0.23 O ATOM 656 CB VAL A 40 -1.559 -3.255 8.330 1.00 0.29 C ATOM 657 CG1 VAL A 40 -0.877 -2.941 9.652 1.00 0.84 C ATOM 658 CG2 VAL A 40 -3.038 -3.506 8.550 1.00 0.88 C ATOM 0 H VAL A 40 -1.337 -3.327 5.614 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.946 -1.251 7.609 1.00 0.20 H new ATOM 0 HB VAL A 40 -1.101 -4.156 7.922 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.039 -3.763 10.349 1.00 0.84 H new ATOM 0 HG12 VAL A 40 0.193 -2.811 9.488 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.295 -2.024 10.068 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -3.167 -4.311 9.273 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.509 -2.599 8.929 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -3.504 -3.789 7.606 1.00 0.88 H new ATOM 668 N HIS A 41 0.355 -0.460 7.619 1.00 0.16 N ATOM 669 CA HIS A 41 1.696 0.044 7.884 1.00 0.17 C ATOM 670 C HIS A 41 2.521 0.225 6.622 1.00 0.14 C ATOM 671 O HIS A 41 3.069 -0.726 6.068 1.00 0.17 O ATOM 672 CB HIS A 41 2.448 -0.855 8.876 1.00 0.22 C ATOM 673 CG HIS A 41 3.529 -0.143 9.631 1.00 0.42 C ATOM 674 ND1 HIS A 41 4.088 -0.640 10.783 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.129 1.053 9.413 1.00 0.56 C ATOM 676 CE1 HIS A 41 4.973 0.217 11.247 1.00 1.03 C ATOM 677 NE2 HIS A 41 5.020 1.258 10.436 1.00 0.67 N ATOM 0 H HIS A 41 -0.376 0.245 7.718 1.00 0.16 H new ATOM 0 HA HIS A 41 1.559 1.030 8.329 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.735 -1.273 9.587 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.886 -1.693 8.334 1.00 0.22 H new ATOM 0 HD2 HIS A 41 3.940 1.722 8.586 1.00 0.56 H new ATOM 0 HE1 HIS A 41 5.563 0.090 12.143 1.00 1.03 H new ATOM 0 HE2 HIS A 41 5.618 2.076 10.551 1.00 0.67 H new ATOM 686 N THR A 42 2.608 1.467 6.193 1.00 0.16 N ATOM 687 CA THR A 42 3.531 1.858 5.153 1.00 0.16 C ATOM 688 C THR A 42 4.827 2.334 5.803 1.00 0.20 C ATOM 689 O THR A 42 4.812 3.210 6.674 1.00 0.31 O ATOM 690 CB THR A 42 2.937 2.982 4.271 1.00 0.20 C ATOM 691 OG1 THR A 42 3.913 3.463 3.344 1.00 0.22 O ATOM 692 CG2 THR A 42 2.426 4.136 5.126 1.00 0.31 C ATOM 0 H THR A 42 2.040 2.232 6.557 1.00 0.16 H new ATOM 0 HA THR A 42 3.725 1.000 4.509 1.00 0.16 H new ATOM 0 HB THR A 42 2.098 2.561 3.718 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.620 3.267 2.430 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.014 4.912 4.481 1.00 0.31 H new ATOM 0 HG22 THR A 42 1.649 3.774 5.800 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.249 4.549 5.710 1.00 0.31 H new ATOM 700 N TYR A 43 5.936 1.728 5.433 1.00 0.22 N ATOM 701 CA TYR A 43 7.217 2.130 5.978 1.00 0.29 C ATOM 702 C TYR A 43 8.165 2.542 4.872 1.00 0.27 C ATOM 703 O TYR A 43 8.085 2.029 3.760 1.00 0.37 O ATOM 704 CB TYR A 43 7.843 0.997 6.797 1.00 0.45 C ATOM 705 CG TYR A 43 8.055 1.335 8.258 1.00 0.74 C ATOM 706 CD1 TYR A 43 8.102 2.655 8.693 1.00 1.15 C ATOM 707 CD2 TYR A 43 8.214 0.329 9.202 1.00 0.94 C ATOM 708 CE1 TYR A 43 8.295 2.958 10.025 1.00 1.53 C ATOM 709 CE2 TYR A 43 8.408 0.627 10.536 1.00 1.34 C ATOM 710 CZ TYR A 43 8.449 1.942 10.942 1.00 1.58 C ATOM 711 OH TYR A 43 8.642 2.240 12.272 1.00 2.02 O ATOM 0 H TYR A 43 5.977 0.961 4.762 1.00 0.22 H new ATOM 0 HA TYR A 43 7.044 2.984 6.633 1.00 0.29 H new ATOM 0 HB2 TYR A 43 7.204 0.117 6.728 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.802 0.730 6.354 1.00 0.45 H new ATOM 0 HD1 TYR A 43 7.986 3.455 7.977 1.00 1.15 H new ATOM 0 HD2 TYR A 43 8.185 -0.704 8.887 1.00 0.94 H new ATOM 0 HE1 TYR A 43 8.325 3.988 10.348 1.00 1.53 H new ATOM 0 HE2 TYR A 43 8.527 -0.168 11.258 1.00 1.34 H new ATOM 0 HH TYR A 43 8.731 1.409 12.784 1.00 2.02 H new ATOM 721 N VAL A 44 9.048 3.476 5.187 1.00 0.25 N ATOM 722 CA VAL A 44 10.089 3.903 4.266 1.00 0.28 C ATOM 723 C VAL A 44 11.160 4.691 5.022 1.00 0.34 C ATOM 724 O VAL A 44 10.845 5.600 5.790 1.00 0.36 O ATOM 725 CB VAL A 44 9.516 4.741 3.089 1.00 0.33 C ATOM 726 CG1 VAL A 44 8.886 6.040 3.568 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.589 5.019 2.049 1.00 0.60 C ATOM 0 H VAL A 44 9.064 3.958 6.086 1.00 0.25 H new ATOM 0 HA VAL A 44 10.540 3.011 3.832 1.00 0.28 H new ATOM 0 HB VAL A 44 8.728 4.147 2.626 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.499 6.594 2.713 1.00 0.71 H new ATOM 0 HG12 VAL A 44 8.070 5.817 4.255 1.00 0.71 H new ATOM 0 HG13 VAL A 44 9.637 6.642 4.080 1.00 0.71 H new ATOM 0 HG21 VAL A 44 10.164 5.607 1.236 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.406 5.574 2.509 1.00 0.60 H new ATOM 0 HG23 VAL A 44 10.968 4.076 1.656 1.00 0.60 H new ATOM 737 N PRO A 45 12.438 4.317 4.859 1.00 0.41 N ATOM 738 CA PRO A 45 13.550 5.016 5.500 1.00 0.48 C ATOM 739 C PRO A 45 13.943 6.288 4.753 1.00 0.51 C ATOM 740 O PRO A 45 13.287 6.680 3.781 1.00 0.50 O ATOM 741 CB PRO A 45 14.675 3.987 5.443 1.00 0.61 C ATOM 742 CG PRO A 45 14.395 3.193 4.215 1.00 0.79 C ATOM 743 CD PRO A 45 12.898 3.167 4.057 1.00 0.48 C ATOM 0 HA PRO A 45 13.306 5.350 6.508 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.651 4.469 5.389 1.00 0.61 H new ATOM 0 HB3 PRO A 45 14.680 3.355 6.331 1.00 0.61 H new ATOM 0 HG2 PRO A 45 14.870 3.645 3.344 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.793 2.183 4.307 1.00 0.79 H new ATOM 0 HD2 PRO A 45 12.605 3.266 3.012 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.474 2.231 4.420 1.00 0.48 H new ATOM 751 N SER A 46 15.032 6.916 5.189 1.00 0.63 N ATOM 752 CA SER A 46 15.469 8.182 4.616 1.00 0.77 C ATOM 753 C SER A 46 15.996 8.000 3.192 1.00 0.80 C ATOM 754 O SER A 46 16.248 8.975 2.480 1.00 0.94 O ATOM 755 CB SER A 46 16.532 8.819 5.510 1.00 0.91 C ATOM 756 OG SER A 46 16.044 8.973 6.836 1.00 1.39 O ATOM 0 H SER A 46 15.628 6.566 5.939 1.00 0.63 H new ATOM 0 HA SER A 46 14.607 8.847 4.561 1.00 0.77 H new ATOM 0 HB2 SER A 46 17.429 8.199 5.516 1.00 0.91 H new ATOM 0 HB3 SER A 46 16.819 9.790 5.107 1.00 0.91 H new ATOM 0 HG SER A 46 16.738 9.381 7.395 1.00 1.39 H new ATOM 762 N PHE A 47 16.146 6.745 2.782 1.00 0.75 N ATOM 763 CA PHE A 47 16.555 6.417 1.424 1.00 0.80 C ATOM 764 C PHE A 47 15.576 6.989 0.402 1.00 0.73 C ATOM 765 O PHE A 47 15.969 7.391 -0.690 1.00 0.82 O ATOM 766 CB PHE A 47 16.640 4.898 1.241 1.00 0.83 C ATOM 767 CG PHE A 47 17.761 4.241 1.996 1.00 1.39 C ATOM 768 CD1 PHE A 47 17.625 3.922 3.336 1.00 2.13 C ATOM 769 CD2 PHE A 47 18.950 3.932 1.356 1.00 1.61 C ATOM 770 CE1 PHE A 47 18.652 3.307 4.023 1.00 3.04 C ATOM 771 CE2 PHE A 47 19.982 3.318 2.038 1.00 2.39 C ATOM 772 CZ PHE A 47 19.832 3.005 3.373 1.00 3.12 C ATOM 0 H PHE A 47 15.988 5.933 3.378 1.00 0.75 H new ATOM 0 HA PHE A 47 17.537 6.860 1.261 1.00 0.80 H new ATOM 0 HB2 PHE A 47 15.696 4.453 1.557 1.00 0.83 H new ATOM 0 HB3 PHE A 47 16.756 4.679 0.180 1.00 0.83 H new ATOM 0 HD1 PHE A 47 16.705 4.157 3.850 1.00 2.13 H new ATOM 0 HD2 PHE A 47 19.071 4.174 0.311 1.00 1.61 H new ATOM 0 HE1 PHE A 47 18.533 3.062 5.068 1.00 3.04 H new ATOM 0 HE2 PHE A 47 20.904 3.083 1.527 1.00 2.39 H new ATOM 0 HZ PHE A 47 20.637 2.524 3.909 1.00 3.12 H new ATOM 782 N LYS A 48 14.298 7.024 0.762 1.00 0.61 N ATOM 783 CA LYS A 48 13.256 7.439 -0.168 1.00 0.60 C ATOM 784 C LYS A 48 12.216 8.326 0.517 1.00 0.64 C ATOM 785 O LYS A 48 11.017 8.038 0.484 1.00 0.78 O ATOM 786 CB LYS A 48 12.589 6.205 -0.788 1.00 0.55 C ATOM 787 CG LYS A 48 13.484 5.460 -1.770 1.00 0.76 C ATOM 788 CD LYS A 48 12.911 4.101 -2.137 1.00 0.81 C ATOM 789 CE LYS A 48 13.031 3.114 -0.986 1.00 0.97 C ATOM 790 NZ LYS A 48 14.452 2.828 -0.653 1.00 1.19 N ATOM 0 H LYS A 48 13.959 6.770 1.690 1.00 0.61 H new ATOM 0 HA LYS A 48 13.720 8.029 -0.958 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.291 5.524 0.009 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.678 6.513 -1.301 1.00 0.55 H new ATOM 0 HG2 LYS A 48 13.609 6.058 -2.673 1.00 0.76 H new ATOM 0 HG3 LYS A 48 14.474 5.331 -1.333 1.00 0.76 H new ATOM 0 HD2 LYS A 48 11.863 4.210 -2.416 1.00 0.81 H new ATOM 0 HD3 LYS A 48 13.433 3.709 -3.010 1.00 0.81 H new ATOM 0 HE2 LYS A 48 12.525 3.516 -0.108 1.00 0.97 H new ATOM 0 HE3 LYS A 48 12.525 2.185 -1.249 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 14.531 2.589 0.356 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 14.789 2.028 -1.226 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.032 3.667 -0.856 1.00 1.19 H new ATOM 804 N ARG A 49 12.679 9.412 1.126 1.00 0.73 N ATOM 805 CA ARG A 49 11.786 10.363 1.781 1.00 0.84 C ATOM 806 C ARG A 49 10.980 11.145 0.749 1.00 0.91 C ATOM 807 O ARG A 49 11.512 12.014 0.063 1.00 1.75 O ATOM 808 CB ARG A 49 12.578 11.341 2.653 1.00 1.03 C ATOM 809 CG ARG A 49 13.260 10.699 3.847 1.00 1.35 C ATOM 810 CD ARG A 49 12.258 10.266 4.909 1.00 1.45 C ATOM 811 NE ARG A 49 12.925 9.674 6.067 1.00 1.92 N ATOM 812 CZ ARG A 49 12.411 8.694 6.808 1.00 2.48 C ATOM 813 NH1 ARG A 49 11.167 8.273 6.594 1.00 2.70 N ATOM 814 NH2 ARG A 49 13.132 8.151 7.779 1.00 3.23 N ATOM 0 H ARG A 49 13.668 9.657 1.180 1.00 0.73 H new ATOM 0 HA ARG A 49 11.103 9.795 2.413 1.00 0.84 H new ATOM 0 HB2 ARG A 49 13.333 11.830 2.037 1.00 1.03 H new ATOM 0 HB3 ARG A 49 11.904 12.120 3.009 1.00 1.03 H new ATOM 0 HG2 ARG A 49 13.834 9.834 3.515 1.00 1.35 H new ATOM 0 HG3 ARG A 49 13.969 11.404 4.282 1.00 1.35 H new ATOM 0 HD2 ARG A 49 11.670 11.126 5.228 1.00 1.45 H new ATOM 0 HD3 ARG A 49 11.562 9.545 4.481 1.00 1.45 H new ATOM 0 HE ARG A 49 13.844 10.035 6.324 1.00 1.92 H new ATOM 0 HH11 ARG A 49 10.603 8.701 5.860 1.00 2.70 H new ATOM 0 HH12 ARG A 49 10.778 7.522 7.164 1.00 2.70 H new ATOM 0 HH21 ARG A 49 14.079 8.484 7.958 1.00 3.23 H new ATOM 0 HH22 ARG A 49 12.739 7.400 8.347 1.00 3.23 H new ATOM 828 N GLY A 50 9.701 10.812 0.630 1.00 1.00 N ATOM 829 CA GLY A 50 8.828 11.522 -0.289 1.00 1.07 C ATOM 830 C GLY A 50 9.095 11.172 -1.742 1.00 0.98 C ATOM 831 O GLY A 50 8.735 11.925 -2.645 1.00 1.12 O ATOM 0 H GLY A 50 9.251 10.062 1.154 1.00 1.00 H new ATOM 0 HA2 GLY A 50 7.790 11.291 -0.049 1.00 1.07 H new ATOM 0 HA3 GLY A 50 8.956 12.595 -0.149 1.00 1.07 H new ATOM 835 N LEU A 51 9.730 10.029 -1.970 1.00 0.81 N ATOM 836 CA LEU A 51 10.031 9.580 -3.328 1.00 0.81 C ATOM 837 C LEU A 51 8.827 8.906 -3.975 1.00 0.71 C ATOM 838 O LEU A 51 8.850 8.588 -5.163 1.00 0.88 O ATOM 839 CB LEU A 51 11.218 8.611 -3.324 1.00 0.82 C ATOM 840 CG LEU A 51 12.596 9.236 -3.577 1.00 1.11 C ATOM 841 CD1 LEU A 51 12.662 9.832 -4.973 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.916 10.291 -2.530 1.00 1.95 C ATOM 0 H LEU A 51 10.047 9.396 -1.236 1.00 0.81 H new ATOM 0 HA LEU A 51 10.286 10.464 -3.912 1.00 0.81 H new ATOM 0 HB2 LEU A 51 11.243 8.102 -2.360 1.00 0.82 H new ATOM 0 HB3 LEU A 51 11.042 7.848 -4.083 1.00 0.82 H new ATOM 0 HG LEU A 51 13.345 8.447 -3.501 1.00 1.11 H new ATOM 0 HD11 LEU A 51 13.646 10.271 -5.135 1.00 1.46 H new ATOM 0 HD12 LEU A 51 12.488 9.049 -5.711 1.00 1.46 H new ATOM 0 HD13 LEU A 51 11.899 10.604 -5.075 1.00 1.46 H new ATOM 0 HD21 LEU A 51 13.898 10.718 -2.732 1.00 1.95 H new ATOM 0 HD22 LEU A 51 12.163 11.079 -2.565 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.916 9.833 -1.541 1.00 1.95 H new ATOM 854 N GLY A 52 7.779 8.688 -3.194 1.00 0.52 N ATOM 855 CA GLY A 52 6.610 8.005 -3.711 1.00 0.43 C ATOM 856 C GLY A 52 6.506 6.590 -3.192 1.00 0.32 C ATOM 857 O GLY A 52 5.415 6.049 -3.072 1.00 0.28 O ATOM 0 H GLY A 52 7.717 8.970 -2.216 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.714 8.560 -3.434 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.651 7.990 -4.800 1.00 0.43 H new ATOM 861 N LEU A 53 7.654 6.012 -2.866 1.00 0.31 N ATOM 862 CA LEU A 53 7.768 4.600 -2.507 1.00 0.27 C ATOM 863 C LEU A 53 6.792 4.189 -1.404 1.00 0.20 C ATOM 864 O LEU A 53 6.140 3.154 -1.514 1.00 0.20 O ATOM 865 CB LEU A 53 9.208 4.309 -2.070 1.00 0.29 C ATOM 866 CG LEU A 53 9.628 2.833 -2.088 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.167 2.112 -0.835 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.071 2.142 -3.323 1.00 0.67 C ATOM 0 H LEU A 53 8.542 6.513 -2.842 1.00 0.31 H new ATOM 0 HA LEU A 53 7.510 4.012 -3.388 1.00 0.27 H new ATOM 0 HB2 LEU A 53 9.884 4.867 -2.718 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.345 4.694 -1.059 1.00 0.29 H new ATOM 0 HG LEU A 53 10.717 2.796 -2.117 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.480 1.069 -0.879 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.609 2.587 0.041 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.080 2.162 -0.766 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.376 1.096 -3.323 1.00 0.67 H new ATOM 0 HD22 LEU A 53 7.983 2.202 -3.314 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.454 2.632 -4.218 1.00 0.67 H new ATOM 880 N ALA A 54 6.694 4.989 -0.356 1.00 0.19 N ATOM 881 CA ALA A 54 5.823 4.671 0.771 1.00 0.17 C ATOM 882 C ALA A 54 4.389 4.417 0.315 1.00 0.15 C ATOM 883 O ALA A 54 3.794 3.373 0.605 1.00 0.15 O ATOM 884 CB ALA A 54 5.856 5.801 1.777 1.00 0.24 C ATOM 0 H ALA A 54 7.206 5.866 -0.259 1.00 0.19 H new ATOM 0 HA ALA A 54 6.191 3.757 1.236 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.204 5.560 2.617 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.876 5.938 2.137 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.512 6.720 1.303 1.00 0.24 H new ATOM 890 N SER A 55 3.841 5.375 -0.405 1.00 0.17 N ATOM 891 CA SER A 55 2.492 5.268 -0.925 1.00 0.21 C ATOM 892 C SER A 55 2.433 4.260 -2.065 1.00 0.21 C ATOM 893 O SER A 55 1.423 3.590 -2.274 1.00 0.25 O ATOM 894 CB SER A 55 2.027 6.649 -1.375 1.00 0.28 C ATOM 895 OG SER A 55 3.114 7.405 -1.883 1.00 1.08 O ATOM 0 H SER A 55 4.315 6.246 -0.645 1.00 0.17 H new ATOM 0 HA SER A 55 1.823 4.906 -0.144 1.00 0.21 H new ATOM 0 HB2 SER A 55 1.259 6.547 -2.142 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.572 7.176 -0.536 1.00 0.28 H new ATOM 0 HG SER A 55 3.718 6.816 -2.381 1.00 1.08 H new ATOM 901 N HIS A 56 3.539 4.157 -2.777 1.00 0.21 N ATOM 902 CA HIS A 56 3.704 3.195 -3.856 1.00 0.23 C ATOM 903 C HIS A 56 3.476 1.784 -3.340 1.00 0.20 C ATOM 904 O HIS A 56 2.874 0.949 -4.011 1.00 0.23 O ATOM 905 CB HIS A 56 5.119 3.303 -4.388 1.00 0.29 C ATOM 906 CG HIS A 56 5.250 3.086 -5.854 1.00 0.45 C ATOM 907 ND1 HIS A 56 4.707 2.017 -6.538 1.00 0.79 N ATOM 908 CD2 HIS A 56 5.877 3.841 -6.767 1.00 0.70 C ATOM 909 CE1 HIS A 56 5.007 2.132 -7.820 1.00 0.99 C ATOM 910 NE2 HIS A 56 5.717 3.232 -7.985 1.00 0.93 N ATOM 0 H HIS A 56 4.359 4.744 -2.623 1.00 0.21 H new ATOM 0 HA HIS A 56 2.981 3.407 -4.644 1.00 0.23 H new ATOM 0 HB2 HIS A 56 5.510 4.291 -4.144 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.744 2.576 -3.870 1.00 0.29 H new ATOM 0 HD2 HIS A 56 6.411 4.761 -6.578 1.00 0.70 H new ATOM 0 HE1 HIS A 56 4.720 1.443 -8.600 1.00 0.99 H new ATOM 0 HE2 HIS A 56 6.086 3.573 -8.873 1.00 0.93 H new ATOM 919 N LEU A 57 3.993 1.536 -2.147 1.00 0.15 N ATOM 920 CA LEU A 57 3.831 0.251 -1.473 1.00 0.13 C ATOM 921 C LEU A 57 2.357 -0.048 -1.240 1.00 0.13 C ATOM 922 O LEU A 57 1.884 -1.151 -1.510 1.00 0.15 O ATOM 923 CB LEU A 57 4.574 0.255 -0.137 1.00 0.14 C ATOM 924 CG LEU A 57 6.095 0.340 -0.229 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.692 0.543 1.153 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.661 -0.919 -0.874 1.00 0.22 C ATOM 0 H LEU A 57 4.537 2.217 -1.617 1.00 0.15 H new ATOM 0 HA LEU A 57 4.251 -0.525 -2.113 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.216 1.097 0.455 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.311 -0.652 0.407 1.00 0.14 H new ATOM 0 HG LEU A 57 6.360 1.194 -0.853 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.778 0.602 1.075 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.308 1.468 1.583 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.419 -0.295 1.794 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.747 -0.842 -0.932 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.391 -1.788 -0.274 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.251 -1.029 -1.878 1.00 0.22 H new ATOM 938 N CYS A 58 1.638 0.947 -0.740 1.00 0.16 N ATOM 939 CA CYS A 58 0.196 0.827 -0.546 1.00 0.19 C ATOM 940 C CYS A 58 -0.495 0.540 -1.879 1.00 0.19 C ATOM 941 O CYS A 58 -1.424 -0.264 -1.953 1.00 0.20 O ATOM 942 CB CYS A 58 -0.364 2.111 0.075 1.00 0.23 C ATOM 943 SG CYS A 58 -2.143 2.076 0.385 1.00 0.27 S ATOM 0 H CYS A 58 2.028 1.847 -0.461 1.00 0.16 H new ATOM 0 HA CYS A 58 0.003 -0.003 0.134 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.153 2.300 1.016 1.00 0.23 H new ATOM 0 HB3 CYS A 58 -0.139 2.948 -0.586 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.782 2.238 -0.735 1.00 0.27 H new ATOM 949 N VAL A 59 -0.023 1.201 -2.930 1.00 0.19 N ATOM 950 CA VAL A 59 -0.545 0.990 -4.276 1.00 0.22 C ATOM 951 C VAL A 59 -0.267 -0.430 -4.766 1.00 0.20 C ATOM 952 O VAL A 59 -1.075 -1.011 -5.485 1.00 0.22 O ATOM 953 CB VAL A 59 0.043 2.014 -5.273 1.00 0.25 C ATOM 954 CG1 VAL A 59 -0.347 1.691 -6.710 1.00 0.29 C ATOM 955 CG2 VAL A 59 -0.420 3.412 -4.913 1.00 0.29 C ATOM 0 H VAL A 59 0.725 1.892 -2.875 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.624 1.133 -4.225 1.00 0.22 H new ATOM 0 HB VAL A 59 1.129 1.959 -5.203 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.086 2.434 -7.380 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.027 0.702 -6.975 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -1.433 1.706 -6.804 1.00 0.29 H new ATOM 0 HG21 VAL A 59 -0.001 4.128 -5.621 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -1.508 3.457 -4.953 1.00 0.29 H new ATOM 0 HG23 VAL A 59 -0.084 3.659 -3.906 1.00 0.29 H new ATOM 965 N ALA A 60 0.864 -0.994 -4.359 1.00 0.18 N ATOM 966 CA ALA A 60 1.206 -2.362 -4.724 1.00 0.21 C ATOM 967 C ALA A 60 0.142 -3.334 -4.214 1.00 0.17 C ATOM 968 O ALA A 60 -0.165 -4.331 -4.870 1.00 0.17 O ATOM 969 CB ALA A 60 2.589 -2.735 -4.197 1.00 0.28 C ATOM 0 H ALA A 60 1.558 -0.525 -3.777 1.00 0.18 H new ATOM 0 HA ALA A 60 1.235 -2.431 -5.811 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.822 -3.761 -4.482 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.334 -2.062 -4.622 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.600 -2.649 -3.110 1.00 0.28 H new ATOM 975 N ALA A 61 -0.441 -3.035 -3.055 1.00 0.16 N ATOM 976 CA ALA A 61 -1.530 -3.842 -2.545 1.00 0.16 C ATOM 977 C ALA A 61 -2.815 -3.551 -3.317 1.00 0.14 C ATOM 978 O ALA A 61 -3.607 -4.459 -3.577 1.00 0.15 O ATOM 979 CB ALA A 61 -1.714 -3.609 -1.059 1.00 0.20 C ATOM 0 H ALA A 61 -0.177 -2.248 -2.462 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.284 -4.894 -2.688 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.537 -4.224 -0.693 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.798 -3.878 -0.532 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -1.940 -2.558 -0.881 1.00 0.20 H new ATOM 985 N PHE A 62 -3.009 -2.286 -3.697 1.00 0.14 N ATOM 986 CA PHE A 62 -4.147 -1.898 -4.533 1.00 0.15 C ATOM 987 C PHE A 62 -4.133 -2.669 -5.848 1.00 0.15 C ATOM 988 O PHE A 62 -5.135 -3.264 -6.240 1.00 0.16 O ATOM 989 CB PHE A 62 -4.137 -0.398 -4.848 1.00 0.17 C ATOM 990 CG PHE A 62 -4.602 0.503 -3.733 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.780 0.239 -3.055 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.875 1.633 -3.388 1.00 0.20 C ATOM 993 CE1 PHE A 62 -6.222 1.081 -2.053 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.312 2.479 -2.385 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.488 2.201 -1.716 1.00 0.24 C ATOM 0 H PHE A 62 -2.394 -1.514 -3.440 1.00 0.14 H new ATOM 0 HA PHE A 62 -5.048 -2.134 -3.968 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -3.123 -0.110 -5.126 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.768 -0.223 -5.720 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.360 -0.635 -3.312 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.956 1.855 -3.910 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -7.143 0.863 -1.533 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.735 3.355 -2.126 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.833 2.858 -0.931 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.982 -2.647 -6.517 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.791 -3.348 -7.784 1.00 0.19 C ATOM 1007 C GLU A 63 -3.187 -4.814 -7.656 1.00 0.19 C ATOM 1008 O GLU A 63 -3.790 -5.389 -8.559 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.322 -3.258 -8.211 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.838 -1.842 -8.473 1.00 0.29 C ATOM 1011 CD GLU A 63 -1.218 -1.332 -9.846 1.00 1.16 C ATOM 1012 OE1 GLU A 63 -2.427 -1.104 -10.084 1.00 1.98 O ATOM 1013 OE2 GLU A 63 -0.321 -1.167 -10.695 1.00 1.58 O ATOM 0 H GLU A 63 -2.156 -2.143 -6.196 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.425 -2.876 -8.535 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.701 -3.705 -7.435 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -1.180 -3.852 -9.114 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.253 -1.176 -7.716 1.00 0.29 H new ATOM 0 HG3 GLU A 63 0.246 -1.809 -8.366 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.862 -5.393 -6.512 1.00 0.17 N ATOM 1021 CA HIS A 64 -3.106 -6.807 -6.263 1.00 0.19 C ATOM 1022 C HIS A 64 -4.599 -7.079 -6.079 1.00 0.19 C ATOM 1023 O HIS A 64 -5.168 -7.961 -6.724 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.322 -7.246 -5.022 1.00 0.20 C ATOM 1025 CG HIS A 64 -2.387 -8.715 -4.735 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -1.548 -9.632 -5.326 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -3.185 -9.421 -3.899 1.00 1.13 C ATOM 1028 CE1 HIS A 64 -1.823 -10.837 -4.867 1.00 1.68 C ATOM 1029 NE2 HIS A 64 -2.812 -10.737 -3.999 1.00 1.33 N ATOM 0 H HIS A 64 -2.424 -4.901 -5.733 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.768 -7.382 -7.125 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -1.278 -6.959 -5.147 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.701 -6.702 -4.157 1.00 0.20 H new ATOM 0 HD2 HIS A 64 -3.968 -9.022 -3.271 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -1.324 -11.751 -5.153 1.00 1.68 H new ATOM 0 HE2 HIS A 64 -3.231 -11.513 -3.486 1.00 1.33 H new ATOM 1038 N ALA A 65 -5.229 -6.308 -5.206 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.635 -6.510 -4.887 1.00 0.16 C ATOM 1040 C ALA A 65 -7.530 -6.143 -6.058 1.00 0.15 C ATOM 1041 O ALA A 65 -8.401 -6.921 -6.442 1.00 0.17 O ATOM 1042 CB ALA A 65 -7.023 -5.706 -3.666 1.00 0.20 C ATOM 0 H ALA A 65 -4.789 -5.536 -4.705 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.774 -7.570 -4.674 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -8.077 -5.869 -3.443 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.419 -6.022 -2.815 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.853 -4.647 -3.859 1.00 0.20 H new ATOM 1048 N SER A 66 -7.310 -4.962 -6.625 1.00 0.16 N ATOM 1049 CA SER A 66 -8.124 -4.477 -7.734 1.00 0.20 C ATOM 1050 C SER A 66 -8.183 -5.495 -8.878 1.00 0.24 C ATOM 1051 O SER A 66 -9.247 -5.733 -9.451 1.00 0.31 O ATOM 1052 CB SER A 66 -7.576 -3.139 -8.241 1.00 0.24 C ATOM 1053 OG SER A 66 -8.424 -2.571 -9.224 1.00 1.21 O ATOM 0 H SER A 66 -6.572 -4.321 -6.334 1.00 0.16 H new ATOM 0 HA SER A 66 -9.140 -4.334 -7.367 1.00 0.20 H new ATOM 0 HB2 SER A 66 -7.471 -2.447 -7.405 1.00 0.24 H new ATOM 0 HB3 SER A 66 -6.580 -3.287 -8.659 1.00 0.24 H new ATOM 0 HG SER A 66 -8.048 -1.718 -9.527 1.00 1.21 H new ATOM 1059 N SER A 67 -7.054 -6.115 -9.191 1.00 0.25 N ATOM 1060 CA SER A 67 -7.000 -7.064 -10.293 1.00 0.33 C ATOM 1061 C SER A 67 -7.587 -8.420 -9.894 1.00 0.34 C ATOM 1062 O SER A 67 -7.917 -9.240 -10.751 1.00 0.44 O ATOM 1063 CB SER A 67 -5.561 -7.224 -10.786 1.00 0.39 C ATOM 1064 OG SER A 67 -4.690 -7.561 -9.720 1.00 1.20 O ATOM 0 H SER A 67 -6.169 -5.979 -8.701 1.00 0.25 H new ATOM 0 HA SER A 67 -7.608 -6.668 -11.106 1.00 0.33 H new ATOM 0 HB2 SER A 67 -5.520 -7.999 -11.552 1.00 0.39 H new ATOM 0 HB3 SER A 67 -5.228 -6.297 -11.252 1.00 0.39 H new ATOM 0 HG SER A 67 -4.385 -6.743 -9.275 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.725 -8.655 -8.593 1.00 0.29 N ATOM 1071 CA HIS A 68 -8.305 -9.901 -8.100 1.00 0.35 C ATOM 1072 C HIS A 68 -9.741 -9.671 -7.613 1.00 0.37 C ATOM 1073 O HIS A 68 -10.339 -10.545 -6.983 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.445 -10.475 -6.966 1.00 0.37 C ATOM 1075 CG HIS A 68 -7.656 -11.943 -6.722 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -8.533 -12.442 -5.779 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -7.082 -13.023 -7.300 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -8.484 -13.760 -5.791 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -7.611 -14.138 -6.704 1.00 0.82 N ATOM 0 H HIS A 68 -7.444 -8.001 -7.862 1.00 0.29 H new ATOM 0 HA HIS A 68 -8.329 -10.619 -8.920 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.394 -10.303 -7.198 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.662 -9.930 -6.048 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -6.342 -13.009 -8.087 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -9.062 -14.419 -5.159 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -7.369 -15.103 -6.930 1.00 0.82 H new ATOM 1088 N SER A 69 -10.286 -8.486 -7.910 1.00 0.33 N ATOM 1089 CA SER A 69 -11.656 -8.130 -7.526 1.00 0.37 C ATOM 1090 C SER A 69 -11.820 -8.125 -6.002 1.00 0.34 C ATOM 1091 O SER A 69 -12.865 -8.515 -5.473 1.00 0.54 O ATOM 1092 CB SER A 69 -12.661 -9.097 -8.164 1.00 0.47 C ATOM 1093 OG SER A 69 -12.580 -9.068 -9.582 1.00 1.12 O ATOM 0 H SER A 69 -9.794 -7.752 -8.419 1.00 0.33 H new ATOM 0 HA SER A 69 -11.855 -7.123 -7.892 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.470 -10.109 -7.808 1.00 0.47 H new ATOM 0 HB3 SER A 69 -13.671 -8.834 -7.850 1.00 0.47 H new ATOM 0 HG SER A 69 -13.231 -9.696 -9.960 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.786 -7.665 -5.309 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.791 -7.609 -3.854 1.00 0.21 C ATOM 1101 C ILE A 70 -10.993 -6.169 -3.379 1.00 0.19 C ATOM 1102 O ILE A 70 -10.569 -5.228 -4.046 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.459 -8.153 -3.273 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -9.141 -9.535 -3.844 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.517 -8.226 -1.756 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -7.826 -10.107 -3.349 1.00 0.36 C ATOM 0 H ILE A 70 -9.926 -7.322 -5.737 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.613 -8.231 -3.500 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.667 -7.461 -3.561 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -9.947 -10.221 -3.584 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -9.114 -9.472 -4.932 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.571 -8.610 -1.374 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.694 -7.230 -1.350 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.327 -8.890 -1.454 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.665 -11.089 -3.795 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -7.010 -9.442 -3.632 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -7.856 -10.202 -2.264 1.00 0.36 H new ATOM 1118 N SER A 71 -11.640 -6.002 -2.235 1.00 0.19 N ATOM 1119 CA SER A 71 -11.791 -4.691 -1.625 1.00 0.19 C ATOM 1120 C SER A 71 -10.636 -4.458 -0.657 1.00 0.17 C ATOM 1121 O SER A 71 -9.917 -5.392 -0.330 1.00 0.19 O ATOM 1122 CB SER A 71 -13.134 -4.594 -0.902 1.00 0.23 C ATOM 1123 OG SER A 71 -14.204 -4.813 -1.807 1.00 1.01 O ATOM 0 H SER A 71 -12.070 -6.763 -1.709 1.00 0.19 H new ATOM 0 HA SER A 71 -11.771 -3.922 -2.397 1.00 0.19 H new ATOM 0 HB2 SER A 71 -13.174 -5.329 -0.098 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.235 -3.611 -0.441 1.00 0.23 H new ATOM 0 HG SER A 71 -15.056 -4.749 -1.327 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.446 -3.226 -0.214 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.283 -2.881 0.597 1.00 0.14 C ATOM 1131 C ILE A 72 -9.653 -1.878 1.698 1.00 0.14 C ATOM 1132 O ILE A 72 -10.627 -1.135 1.578 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.152 -2.294 -0.304 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.567 -3.380 -1.207 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -7.045 -1.631 0.508 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.267 -2.979 -1.872 1.00 0.20 C ATOM 0 H ILE A 72 -11.079 -2.448 -0.400 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.923 -3.792 1.075 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.608 -1.520 -0.921 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.401 -4.281 -0.617 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.296 -3.633 -1.977 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.284 -1.239 -0.167 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.464 -0.814 1.096 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.595 -2.365 1.176 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.910 -3.798 -2.497 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.431 -2.096 -2.490 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.522 -2.754 -1.109 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.879 -1.902 2.774 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.971 -0.936 3.862 1.00 0.13 C ATOM 1150 C ILE A 73 -7.554 -0.565 4.296 1.00 0.13 C ATOM 1151 O ILE A 73 -6.803 -1.417 4.749 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.739 -1.518 5.072 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.235 -1.630 4.761 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.501 -0.684 6.327 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.910 -0.297 4.512 1.00 0.24 C ATOM 0 H ILE A 73 -8.156 -2.606 2.919 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.515 -0.060 3.510 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.357 -2.521 5.264 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.368 -2.263 3.884 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.733 -2.129 5.592 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -10.053 -1.117 7.161 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.437 -0.675 6.562 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.843 0.337 6.156 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.967 -0.458 4.299 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.810 0.332 5.396 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.439 0.196 3.661 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.149 0.693 4.116 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.795 1.126 4.404 1.00 0.18 C ATOM 1169 C PRO A 74 -5.600 1.719 5.807 1.00 0.17 C ATOM 1170 O PRO A 74 -6.039 2.835 6.091 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.557 2.192 3.321 1.00 0.23 C ATOM 1172 CG PRO A 74 -6.919 2.595 2.815 1.00 0.31 C ATOM 1173 CD PRO A 74 -7.945 1.791 3.578 1.00 0.23 C ATOM 0 HA PRO A 74 -5.096 0.289 4.392 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -5.025 3.051 3.731 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -4.944 1.794 2.512 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -7.082 3.663 2.963 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -7.002 2.405 1.745 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.414 2.377 4.368 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.744 1.433 2.929 1.00 0.23 H new ATOM 1181 N SER A 75 -4.934 0.957 6.682 1.00 0.16 N ATOM 1182 CA SER A 75 -4.396 1.497 7.938 1.00 0.17 C ATOM 1183 C SER A 75 -3.200 2.388 7.604 1.00 0.16 C ATOM 1184 O SER A 75 -2.734 3.202 8.403 1.00 0.20 O ATOM 1185 CB SER A 75 -3.951 0.365 8.867 1.00 0.20 C ATOM 1186 OG SER A 75 -4.972 -0.597 9.032 1.00 1.19 O ATOM 0 H SER A 75 -4.754 -0.037 6.544 1.00 0.16 H new ATOM 0 HA SER A 75 -5.170 2.071 8.448 1.00 0.17 H new ATOM 0 HB2 SER A 75 -3.060 -0.113 8.459 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.676 0.776 9.838 1.00 0.20 H new ATOM 0 HG SER A 75 -4.802 -1.119 9.844 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.723 2.189 6.389 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.714 3.012 5.720 1.00 0.17 C ATOM 1194 C CYS A 76 -2.184 4.452 5.518 1.00 0.16 C ATOM 1195 O CYS A 76 -1.655 5.152 4.667 1.00 0.20 O ATOM 1196 CB CYS A 76 -1.319 2.375 4.399 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.950 0.632 4.567 1.00 0.90 S ATOM 0 H CYS A 76 -3.040 1.413 5.808 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.838 3.059 6.368 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -2.128 2.505 3.680 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.448 2.891 3.996 1.00 0.25 H new ATOM 0 HG CYS A 76 -1.741 0.104 5.453 1.00 0.90 H new ATOM 1203 N SER A 77 -3.240 4.829 6.235 1.00 0.20 N ATOM 1204 CA SER A 77 -4.024 6.038 6.007 1.00 0.25 C ATOM 1205 C SER A 77 -3.199 7.326 5.809 1.00 0.24 C ATOM 1206 O SER A 77 -3.760 8.343 5.400 1.00 0.26 O ATOM 1207 CB SER A 77 -4.950 6.220 7.204 1.00 0.34 C ATOM 1208 OG SER A 77 -5.465 4.971 7.639 1.00 0.71 O ATOM 0 H SER A 77 -3.586 4.278 7.021 1.00 0.20 H new ATOM 0 HA SER A 77 -4.560 5.893 5.069 1.00 0.25 H new ATOM 0 HB2 SER A 77 -4.407 6.698 8.019 1.00 0.34 H new ATOM 0 HB3 SER A 77 -5.772 6.884 6.936 1.00 0.34 H new ATOM 0 HG SER A 77 -5.625 4.395 6.863 1.00 0.71 H new ATOM 1214 N TYR A 78 -1.898 7.305 6.094 1.00 0.23 N ATOM 1215 CA TYR A 78 -1.013 8.371 5.626 1.00 0.24 C ATOM 1216 C TYR A 78 -1.096 8.450 4.097 1.00 0.20 C ATOM 1217 O TYR A 78 -1.311 9.518 3.523 1.00 0.21 O ATOM 1218 CB TYR A 78 0.440 8.111 6.077 1.00 0.27 C ATOM 1219 CG TYR A 78 1.490 8.436 5.024 1.00 0.24 C ATOM 1220 CD1 TYR A 78 1.916 9.738 4.799 1.00 0.24 C ATOM 1221 CD2 TYR A 78 2.040 7.424 4.245 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.859 10.020 3.825 1.00 0.25 C ATOM 1223 CE2 TYR A 78 2.982 7.695 3.274 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.390 8.996 3.065 1.00 0.25 C ATOM 1225 OH TYR A 78 4.324 9.274 2.092 1.00 0.30 O ATOM 0 H TYR A 78 -1.439 6.574 6.638 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.330 9.320 6.058 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.642 8.703 6.970 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.538 7.063 6.360 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.506 10.542 5.392 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.723 6.404 4.403 1.00 0.26 H new ATOM 0 HE1 TYR A 78 3.179 11.038 3.660 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.397 6.893 2.681 1.00 0.27 H new ATOM 0 HH TYR A 78 4.842 10.064 2.352 1.00 0.30 H new ATOM 1235 N VAL A 79 -0.955 7.291 3.461 1.00 0.18 N ATOM 1236 CA VAL A 79 -1.042 7.167 2.017 1.00 0.17 C ATOM 1237 C VAL A 79 -2.426 7.537 1.535 1.00 0.18 C ATOM 1238 O VAL A 79 -2.580 8.344 0.627 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.745 5.726 1.549 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.902 5.613 0.039 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.643 5.294 1.984 1.00 0.18 C ATOM 0 H VAL A 79 -0.776 6.408 3.940 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.297 7.844 1.599 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.467 5.057 2.018 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.689 4.591 -0.273 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.923 5.873 -0.241 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.207 6.295 -0.451 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.831 4.276 1.643 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.385 5.964 1.550 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.712 5.331 3.071 1.00 0.18 H new ATOM 1251 N SER A 80 -3.432 6.958 2.165 1.00 0.20 N ATOM 1252 CA SER A 80 -4.797 7.106 1.692 1.00 0.25 C ATOM 1253 C SER A 80 -5.226 8.572 1.700 1.00 0.23 C ATOM 1254 O SER A 80 -5.908 9.035 0.792 1.00 0.23 O ATOM 1255 CB SER A 80 -5.754 6.259 2.537 1.00 0.36 C ATOM 1256 OG SER A 80 -5.725 6.647 3.892 1.00 0.99 O ATOM 0 H SER A 80 -3.331 6.383 3.002 1.00 0.20 H new ATOM 0 HA SER A 80 -4.837 6.750 0.662 1.00 0.25 H new ATOM 0 HB2 SER A 80 -6.768 6.358 2.150 1.00 0.36 H new ATOM 0 HB3 SER A 80 -5.482 5.207 2.452 1.00 0.36 H new ATOM 0 HG SER A 80 -6.298 6.049 4.416 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.779 9.302 2.708 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.181 10.691 2.882 1.00 0.25 C ATOM 1264 C ASP A 81 -4.609 11.576 1.781 1.00 0.25 C ATOM 1265 O ASP A 81 -5.339 12.330 1.148 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.728 11.212 4.251 1.00 0.31 C ATOM 1267 CG ASP A 81 -4.955 12.703 4.426 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -4.046 13.491 4.087 1.00 0.47 O ATOM 1269 OD2 ASP A 81 -6.032 13.096 4.924 1.00 0.48 O ATOM 0 H ASP A 81 -4.136 8.957 3.421 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.269 10.729 2.823 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -5.264 10.675 5.033 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.668 10.994 4.384 1.00 0.31 H new ATOM 1274 N THR A 82 -3.304 11.505 1.574 1.00 0.23 N ATOM 1275 CA THR A 82 -2.653 12.356 0.589 1.00 0.25 C ATOM 1276 C THR A 82 -2.678 11.743 -0.818 1.00 0.22 C ATOM 1277 O THR A 82 -3.051 12.404 -1.792 1.00 0.23 O ATOM 1278 CB THR A 82 -1.198 12.693 1.002 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.583 13.524 0.009 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.360 11.438 1.208 1.00 0.26 C ATOM 0 H THR A 82 -2.677 10.872 2.071 1.00 0.23 H new ATOM 0 HA THR A 82 -3.227 13.282 0.557 1.00 0.25 H new ATOM 0 HB THR A 82 -1.244 13.225 1.952 1.00 0.28 H new ATOM 0 HG1 THR A 82 0.185 13.989 0.402 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.653 11.720 1.496 1.00 0.26 H new ATOM 0 HG22 THR A 82 -0.805 10.828 1.995 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.327 10.866 0.281 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.293 10.478 -0.916 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.048 9.845 -2.203 1.00 0.19 C ATOM 1290 C PHE A 83 -3.328 9.533 -2.954 1.00 0.19 C ATOM 1291 O PHE A 83 -3.383 9.693 -4.166 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.247 8.568 -2.019 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.417 8.208 -3.218 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.428 9.145 -3.789 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.484 6.944 -3.777 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.192 8.829 -4.894 1.00 1.50 C ATOM 1297 CE2 PHE A 83 0.278 6.623 -4.884 1.00 2.25 C ATOM 1298 CZ PHE A 83 1.117 7.566 -5.442 1.00 2.24 C ATOM 0 H PHE A 83 -2.143 9.867 -0.113 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.481 10.560 -2.800 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.593 8.679 -1.154 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.930 7.748 -1.799 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.490 10.136 -3.364 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -1.138 6.201 -3.344 1.00 1.54 H new ATOM 0 HE1 PHE A 83 1.847 9.569 -5.329 1.00 1.50 H new ATOM 0 HE2 PHE A 83 0.217 5.634 -5.313 1.00 2.25 H new ATOM 0 HZ PHE A 83 1.714 7.315 -6.306 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.351 9.081 -2.249 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.592 8.687 -2.914 1.00 0.19 C ATOM 1310 C LEU A 84 -6.224 9.851 -3.677 1.00 0.22 C ATOM 1311 O LEU A 84 -6.637 9.680 -4.818 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.567 8.072 -1.918 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.294 6.600 -1.616 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -7.087 6.145 -0.413 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.632 5.742 -2.820 1.00 0.34 C ATOM 0 H LEU A 84 -4.354 8.977 -1.234 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.344 7.926 -3.654 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.526 8.638 -0.987 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.580 8.171 -2.307 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.233 6.489 -1.392 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.878 5.094 -0.216 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.805 6.740 0.455 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -8.152 6.272 -0.610 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -6.432 4.696 -2.589 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.686 5.864 -3.069 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -6.021 6.049 -3.669 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.313 11.051 -3.074 1.00 0.22 N ATOM 1328 CA PRO A 85 -6.703 12.259 -3.803 1.00 0.26 C ATOM 1329 C PRO A 85 -5.741 12.577 -4.948 1.00 0.28 C ATOM 1330 O PRO A 85 -6.135 13.161 -5.957 1.00 0.33 O ATOM 1331 CB PRO A 85 -6.642 13.362 -2.745 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.792 12.648 -1.452 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.117 11.320 -1.640 1.00 0.22 C ATOM 0 HA PRO A 85 -7.684 12.150 -4.265 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -5.698 13.904 -2.791 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.437 14.094 -2.889 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.332 13.210 -0.639 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.844 12.520 -1.195 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -5.060 11.364 -1.378 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.568 10.546 -1.019 1.00 0.22 H new ATOM 1341 N ARG A 86 -4.481 12.182 -4.775 1.00 0.27 N ATOM 1342 CA ARG A 86 -3.439 12.437 -5.770 1.00 0.31 C ATOM 1343 C ARG A 86 -3.627 11.539 -6.998 1.00 0.35 C ATOM 1344 O ARG A 86 -3.321 11.943 -8.120 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.051 12.217 -5.149 1.00 0.33 C ATOM 1346 CG ARG A 86 -0.904 12.787 -5.969 1.00 0.75 C ATOM 1347 CD ARG A 86 0.444 12.485 -5.324 1.00 0.72 C ATOM 1348 NE ARG A 86 0.470 12.835 -3.900 1.00 1.43 N ATOM 1349 CZ ARG A 86 1.491 12.563 -3.078 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.616 12.043 -3.553 1.00 1.44 N ATOM 1351 NH2 ARG A 86 1.391 12.832 -1.782 1.00 2.56 N ATOM 0 H ARG A 86 -4.155 11.680 -3.949 1.00 0.27 H new ATOM 0 HA ARG A 86 -3.518 13.474 -6.095 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.033 12.669 -4.157 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -1.891 11.147 -5.015 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -0.930 12.368 -6.975 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.027 13.865 -6.070 1.00 0.75 H new ATOM 0 HD2 ARG A 86 0.670 11.425 -5.440 1.00 0.72 H new ATOM 0 HD3 ARG A 86 1.226 13.037 -5.846 1.00 0.72 H new ATOM 0 HE ARG A 86 -0.341 13.316 -3.511 1.00 1.43 H new ATOM 0 HH11 ARG A 86 2.707 11.848 -4.550 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.390 11.838 -2.921 1.00 1.44 H new ATOM 0 HH21 ARG A 86 0.536 13.246 -1.412 1.00 2.56 H new ATOM 0 HH22 ARG A 86 2.169 12.624 -1.156 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.134 10.328 -6.781 1.00 0.30 N ATOM 1366 CA ASN A 87 -4.463 9.417 -7.883 1.00 0.37 C ATOM 1367 C ASN A 87 -5.672 8.550 -7.516 1.00 0.34 C ATOM 1368 O ASN A 87 -5.543 7.447 -6.983 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.259 8.545 -8.321 1.00 0.50 C ATOM 1370 CG ASN A 87 -2.772 7.529 -7.289 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -2.752 7.902 -6.022 1.00 1.78 O flip ATOM 1372 ND2 ASN A 87 -2.380 6.415 -7.641 1.00 1.22 N flip ATOM 0 H ASN A 87 -4.327 9.951 -5.853 1.00 0.30 H new ATOM 0 HA ASN A 87 -4.721 10.034 -8.744 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -3.532 8.010 -9.231 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -2.429 9.204 -8.576 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -2.407 6.153 -8.626 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -2.029 5.755 -6.947 1.00 1.22 H new ATOM 1379 N PRO A 88 -6.879 9.067 -7.768 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.118 8.398 -7.405 1.00 0.42 C ATOM 1381 C PRO A 88 -8.527 7.335 -8.417 1.00 0.49 C ATOM 1382 O PRO A 88 -9.028 7.648 -9.497 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.153 9.532 -7.375 1.00 0.53 C ATOM 1384 CG PRO A 88 -8.436 10.776 -7.799 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.138 10.348 -8.420 1.00 0.46 C ATOM 0 HA PRO A 88 -8.022 7.867 -6.458 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -9.984 9.316 -8.046 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -9.572 9.648 -6.376 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -9.036 11.342 -8.512 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.257 11.428 -6.944 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -7.222 10.243 -9.502 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -6.341 11.068 -8.231 1.00 0.46 H new ATOM 1393 N SER A 89 -8.276 6.079 -8.080 1.00 0.30 N ATOM 1394 CA SER A 89 -8.696 4.967 -8.921 1.00 0.36 C ATOM 1395 C SER A 89 -8.896 3.721 -8.069 1.00 0.34 C ATOM 1396 O SER A 89 -9.013 2.610 -8.583 1.00 0.42 O ATOM 1397 CB SER A 89 -7.648 4.706 -10.014 1.00 0.44 C ATOM 1398 OG SER A 89 -8.087 3.721 -10.936 1.00 1.37 O ATOM 0 H SER A 89 -7.784 5.804 -7.230 1.00 0.30 H new ATOM 0 HA SER A 89 -9.641 5.220 -9.401 1.00 0.36 H new ATOM 0 HB2 SER A 89 -7.437 5.634 -10.545 1.00 0.44 H new ATOM 0 HB3 SER A 89 -6.714 4.383 -9.554 1.00 0.44 H new ATOM 0 HG SER A 89 -8.565 3.013 -10.456 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.955 3.911 -6.757 1.00 0.30 N ATOM 1405 CA TRP A 90 -9.000 2.785 -5.837 1.00 0.28 C ATOM 1406 C TRP A 90 -10.243 2.844 -4.957 1.00 0.32 C ATOM 1407 O TRP A 90 -10.386 2.063 -4.015 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.744 2.773 -4.965 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.490 3.098 -5.724 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.734 4.229 -5.602 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.854 2.299 -6.732 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.667 4.182 -6.459 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.715 3.007 -7.165 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -6.132 1.054 -7.308 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.859 2.513 -8.144 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.280 0.564 -8.280 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -4.156 1.293 -8.688 1.00 0.38 C ATOM 0 H TRP A 90 -8.973 4.828 -6.310 1.00 0.30 H new ATOM 0 HA TRP A 90 -9.042 1.868 -6.424 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.866 3.491 -4.154 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.638 1.790 -4.506 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.947 5.044 -4.926 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.953 4.904 -6.556 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -6.997 0.486 -6.998 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -2.992 3.072 -8.463 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.484 -0.396 -8.732 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.509 0.883 -9.449 1.00 0.38 H new ATOM 1428 N LYS A 91 -11.151 3.760 -5.278 1.00 0.37 N ATOM 1429 CA LYS A 91 -12.385 3.913 -4.510 1.00 0.43 C ATOM 1430 C LYS A 91 -13.246 2.638 -4.552 1.00 0.41 C ATOM 1431 O LYS A 91 -13.809 2.256 -3.529 1.00 0.42 O ATOM 1432 CB LYS A 91 -13.207 5.110 -4.996 1.00 0.55 C ATOM 1433 CG LYS A 91 -14.242 5.560 -3.978 1.00 1.20 C ATOM 1434 CD LYS A 91 -15.175 6.621 -4.533 1.00 1.38 C ATOM 1435 CE LYS A 91 -15.978 7.287 -3.423 1.00 1.83 C ATOM 1436 NZ LYS A 91 -16.653 6.297 -2.540 1.00 2.61 N ATOM 0 H LYS A 91 -11.058 4.406 -6.062 1.00 0.37 H new ATOM 0 HA LYS A 91 -12.086 4.093 -3.477 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -12.537 5.940 -5.218 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -13.709 4.847 -5.927 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -14.827 4.699 -3.653 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -13.734 5.951 -3.096 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -14.596 7.374 -5.068 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -15.855 6.169 -5.255 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -15.316 7.912 -2.824 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -16.726 7.946 -3.864 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -17.401 6.771 -1.994 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -17.073 5.544 -3.121 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -15.957 5.883 -1.887 1.00 2.61 H new ATOM 1450 N PRO A 92 -13.382 1.959 -5.725 1.00 0.41 N ATOM 1451 CA PRO A 92 -14.115 0.683 -5.817 1.00 0.42 C ATOM 1452 C PRO A 92 -13.619 -0.374 -4.832 1.00 0.38 C ATOM 1453 O PRO A 92 -14.312 -1.353 -4.561 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.860 0.220 -7.252 1.00 0.46 C ATOM 1455 CG PRO A 92 -13.600 1.471 -8.010 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.895 2.391 -7.055 1.00 0.43 C ATOM 0 HA PRO A 92 -15.168 0.821 -5.571 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -13.009 -0.459 -7.304 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.720 -0.316 -7.654 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -12.986 1.275 -8.889 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -14.531 1.914 -8.364 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.812 2.297 -7.135 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -13.139 3.435 -7.251 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.427 -0.174 -4.302 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.840 -1.132 -3.386 1.00 0.26 C ATOM 1466 C LEU A 93 -12.074 -0.707 -1.945 1.00 0.22 C ATOM 1467 O LEU A 93 -12.367 -1.530 -1.082 1.00 0.21 O ATOM 1468 CB LEU A 93 -10.338 -1.236 -3.644 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.947 -1.300 -5.117 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -8.438 -1.217 -5.272 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -10.477 -2.571 -5.759 1.00 0.26 C ATOM 0 H LEU A 93 -11.847 0.643 -4.490 1.00 0.30 H new ATOM 0 HA LEU A 93 -12.312 -2.101 -3.549 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.845 -0.378 -3.188 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.958 -2.126 -3.142 1.00 0.25 H new ATOM 0 HG LEU A 93 -10.395 -0.446 -5.626 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -8.178 -1.264 -6.329 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -8.080 -0.277 -4.852 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.972 -2.050 -4.746 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -10.187 -2.596 -6.809 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -10.061 -3.438 -5.246 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.564 -2.591 -5.682 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.967 0.589 -1.700 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.918 1.100 -0.339 1.00 0.22 C ATOM 1485 C ILE A 94 -13.007 2.138 -0.067 1.00 0.27 C ATOM 1486 O ILE A 94 -14.057 2.151 -0.709 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.550 1.759 -0.059 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.393 3.035 -0.878 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.412 0.811 -0.385 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -9.211 3.853 -0.448 1.00 0.75 C ATOM 0 H ILE A 94 -11.912 1.305 -2.424 1.00 0.27 H new ATOM 0 HA ILE A 94 -12.077 0.243 0.316 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.513 2.003 1.003 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -10.287 2.776 -1.931 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.298 3.635 -0.787 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.460 1.301 -0.179 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.499 -0.086 0.228 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -9.458 0.536 -1.439 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -9.146 4.750 -1.064 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -9.327 4.138 0.598 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.300 3.266 -0.565 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.740 2.978 0.929 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.565 4.137 1.228 1.00 0.43 C ATOM 1504 C HIS A 95 -13.505 5.135 0.065 1.00 0.39 C ATOM 1505 O HIS A 95 -14.423 5.208 -0.756 1.00 0.55 O ATOM 1506 CB HIS A 95 -13.062 4.801 2.518 1.00 0.64 C ATOM 1507 CG HIS A 95 -13.239 3.973 3.757 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -12.607 4.268 4.948 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -13.982 2.865 3.993 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -12.952 3.376 5.858 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -13.784 2.516 5.307 1.00 1.70 N ATOM 0 H HIS A 95 -11.940 2.870 1.553 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.599 3.821 1.365 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -12.004 5.035 2.402 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -13.585 5.748 2.652 1.00 0.64 H new ATOM 0 HD2 HIS A 95 -14.612 2.352 3.281 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -12.610 3.355 6.882 1.00 2.24 H new ATOM 0 HE2 HIS A 95 -14.212 1.720 5.779 1.00 1.70 H new ATOM 1520 N SER A 96 -12.409 5.894 0.013 1.00 0.41 N ATOM 1521 CA SER A 96 -12.111 6.801 -1.095 1.00 0.49 C ATOM 1522 C SER A 96 -10.783 7.483 -0.808 1.00 0.67 C ATOM 1523 O SER A 96 -9.855 7.458 -1.615 1.00 1.53 O ATOM 1524 CB SER A 96 -13.208 7.856 -1.260 1.00 0.51 C ATOM 1525 OG SER A 96 -13.008 8.623 -2.435 1.00 1.43 O ATOM 0 H SER A 96 -11.698 5.896 0.745 1.00 0.41 H new ATOM 0 HA SER A 96 -12.059 6.229 -2.021 1.00 0.49 H new ATOM 0 HB2 SER A 96 -14.182 7.368 -1.302 1.00 0.51 H new ATOM 0 HB3 SER A 96 -13.218 8.513 -0.391 1.00 0.51 H new ATOM 0 HG SER A 96 -13.504 9.465 -2.364 1.00 1.43 H new ATOM 1531 N GLU A 97 -10.721 8.087 0.365 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.515 8.671 0.893 1.00 0.52 C ATOM 1533 C GLU A 97 -9.326 8.085 2.301 1.00 0.61 C ATOM 1534 O GLU A 97 -9.777 6.965 2.551 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.669 10.202 0.873 1.00 0.47 C ATOM 1536 CG GLU A 97 -8.489 10.988 1.417 1.00 1.09 C ATOM 1537 CD GLU A 97 -8.933 12.268 2.083 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -9.341 12.224 3.261 1.00 1.79 O ATOM 1539 OE2 GLU A 97 -8.832 13.328 1.442 1.00 1.89 O ATOM 0 H GLU A 97 -11.526 8.184 0.984 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.625 8.444 0.306 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -9.850 10.517 -0.155 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.556 10.467 1.449 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -7.942 10.375 2.134 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -7.800 11.220 0.605 1.00 1.09 H new ATOM 1546 N VAL A 98 -8.686 8.801 3.213 1.00 0.58 N ATOM 1547 CA VAL A 98 -8.463 8.280 4.553 1.00 0.73 C ATOM 1548 C VAL A 98 -9.779 8.114 5.306 1.00 1.10 C ATOM 1549 O VAL A 98 -9.999 7.100 5.971 1.00 1.50 O ATOM 1550 CB VAL A 98 -7.501 9.175 5.371 1.00 0.62 C ATOM 1551 CG1 VAL A 98 -8.024 10.599 5.482 1.00 0.72 C ATOM 1552 CG2 VAL A 98 -7.271 8.594 6.756 1.00 0.79 C ATOM 0 H VAL A 98 -8.314 9.737 3.052 1.00 0.58 H new ATOM 0 HA VAL A 98 -7.997 7.302 4.433 1.00 0.73 H new ATOM 0 HB VAL A 98 -6.550 9.204 4.838 1.00 0.62 H new ATOM 0 HG11 VAL A 98 -7.324 11.200 6.063 1.00 0.72 H new ATOM 0 HG12 VAL A 98 -8.129 11.027 4.485 1.00 0.72 H new ATOM 0 HG13 VAL A 98 -8.995 10.593 5.978 1.00 0.72 H new ATOM 0 HG21 VAL A 98 -6.592 9.239 7.313 1.00 0.79 H new ATOM 0 HG22 VAL A 98 -8.222 8.526 7.284 1.00 0.79 H new ATOM 0 HG23 VAL A 98 -6.834 7.600 6.665 1.00 0.79 H new ATOM 1562 N PHE A 99 -10.674 9.082 5.168 1.00 1.35 N ATOM 1563 CA PHE A 99 -11.875 9.096 5.984 1.00 1.84 C ATOM 1564 C PHE A 99 -13.056 9.695 5.231 1.00 1.68 C ATOM 1565 O PHE A 99 -14.196 9.265 5.413 1.00 2.21 O ATOM 1566 CB PHE A 99 -11.615 9.882 7.274 1.00 2.46 C ATOM 1567 CG PHE A 99 -12.670 9.694 8.326 1.00 3.26 C ATOM 1568 CD1 PHE A 99 -12.726 8.531 9.077 1.00 3.94 C ATOM 1569 CD2 PHE A 99 -13.611 10.685 8.561 1.00 3.78 C ATOM 1570 CE1 PHE A 99 -13.698 8.361 10.042 1.00 5.00 C ATOM 1571 CE2 PHE A 99 -14.584 10.519 9.525 1.00 4.85 C ATOM 1572 CZ PHE A 99 -14.616 9.341 10.277 1.00 5.42 C ATOM 0 H PHE A 99 -10.592 9.856 4.509 1.00 1.35 H new ATOM 0 HA PHE A 99 -12.130 8.065 6.231 1.00 1.84 H new ATOM 0 HB2 PHE A 99 -10.651 9.581 7.683 1.00 2.46 H new ATOM 0 HB3 PHE A 99 -11.542 10.942 7.033 1.00 2.46 H new ATOM 0 HD1 PHE A 99 -12.001 7.749 8.905 1.00 3.94 H new ATOM 0 HD2 PHE A 99 -13.582 11.597 7.983 1.00 3.78 H new ATOM 0 HE1 PHE A 99 -13.732 7.446 10.615 1.00 5.00 H new ATOM 0 HE2 PHE A 99 -15.316 11.294 9.697 1.00 4.85 H new ATOM 0 HZ PHE A 99 -15.366 9.208 11.042 1.00 5.42 H new ATOM 1582 N LYS A 100 -12.790 10.668 4.368 1.00 1.18 N ATOM 1583 CA LYS A 100 -13.870 11.355 3.680 1.00 1.33 C ATOM 1584 C LYS A 100 -14.399 10.503 2.535 1.00 1.40 C ATOM 1585 O LYS A 100 -13.697 9.613 2.040 1.00 2.17 O ATOM 1586 CB LYS A 100 -13.434 12.755 3.196 1.00 1.40 C ATOM 1587 CG LYS A 100 -12.332 12.801 2.130 1.00 1.30 C ATOM 1588 CD LYS A 100 -12.854 12.432 0.747 1.00 1.47 C ATOM 1589 CE LYS A 100 -12.170 13.213 -0.366 1.00 2.02 C ATOM 1590 NZ LYS A 100 -10.706 12.993 -0.433 1.00 2.63 N ATOM 0 H LYS A 100 -11.852 10.993 4.132 1.00 1.18 H new ATOM 0 HA LYS A 100 -14.683 11.506 4.390 1.00 1.33 H new ATOM 0 HB2 LYS A 100 -14.311 13.267 2.801 1.00 1.40 H new ATOM 0 HB3 LYS A 100 -13.095 13.324 4.061 1.00 1.40 H new ATOM 0 HG2 LYS A 100 -11.901 13.801 2.099 1.00 1.30 H new ATOM 0 HG3 LYS A 100 -11.530 12.117 2.409 1.00 1.30 H new ATOM 0 HD2 LYS A 100 -12.707 11.365 0.580 1.00 1.47 H new ATOM 0 HD3 LYS A 100 -13.928 12.616 0.707 1.00 1.47 H new ATOM 0 HE2 LYS A 100 -12.615 12.933 -1.321 1.00 2.02 H new ATOM 0 HE3 LYS A 100 -12.363 14.276 -0.224 1.00 2.02 H new ATOM 0 HZ1 LYS A 100 -10.289 13.641 -1.131 1.00 2.63 H new ATOM 0 HZ2 LYS A 100 -10.285 13.173 0.501 1.00 2.63 H new ATOM 0 HZ3 LYS A 100 -10.515 12.011 -0.716 1.00 2.63 H new ATOM 1604 N SER A 101 -15.645 10.767 2.145 1.00 1.46 N ATOM 1605 CA SER A 101 -16.285 10.058 1.046 1.00 1.92 C ATOM 1606 C SER A 101 -16.500 8.593 1.432 1.00 1.73 C ATOM 1607 O SER A 101 -16.550 7.704 0.583 1.00 2.45 O ATOM 1608 CB SER A 101 -15.436 10.187 -0.229 1.00 2.55 C ATOM 1609 OG SER A 101 -16.105 9.672 -1.367 1.00 3.05 O ATOM 0 H SER A 101 -16.234 11.476 2.582 1.00 1.46 H new ATOM 0 HA SER A 101 -17.260 10.501 0.843 1.00 1.92 H new ATOM 0 HB2 SER A 101 -15.191 11.236 -0.397 1.00 2.55 H new ATOM 0 HB3 SER A 101 -14.493 9.657 -0.092 1.00 2.55 H new ATOM 0 HG SER A 101 -16.497 8.801 -1.149 1.00 3.05 H new ATOM 1615 N SER A 102 -16.651 8.356 2.730 1.00 1.56 N ATOM 1616 CA SER A 102 -16.832 7.010 3.244 1.00 1.80 C ATOM 1617 C SER A 102 -18.165 6.890 3.973 1.00 2.12 C ATOM 1618 O SER A 102 -18.567 7.798 4.706 1.00 2.73 O ATOM 1619 CB SER A 102 -15.685 6.654 4.190 1.00 2.23 C ATOM 1620 OG SER A 102 -15.769 5.307 4.624 1.00 2.75 O ATOM 0 H SER A 102 -16.651 9.083 3.445 1.00 1.56 H new ATOM 0 HA SER A 102 -16.832 6.315 2.404 1.00 1.80 H new ATOM 0 HB2 SER A 102 -14.732 6.816 3.686 1.00 2.23 H new ATOM 0 HB3 SER A 102 -15.705 7.318 5.054 1.00 2.23 H new ATOM 0 HG SER A 102 -15.122 5.154 5.344 1.00 2.75 H new ATOM 1626 N ILE A 103 -18.839 5.770 3.768 1.00 2.41 N ATOM 1627 CA ILE A 103 -20.101 5.500 4.435 1.00 3.09 C ATOM 1628 C ILE A 103 -19.836 4.958 5.837 1.00 3.67 C ATOM 1629 O ILE A 103 -20.088 5.685 6.820 1.00 4.17 O ATOM 1630 CB ILE A 103 -20.956 4.486 3.642 1.00 3.79 C ATOM 1631 CG1 ILE A 103 -21.171 4.976 2.204 1.00 4.17 C ATOM 1632 CG2 ILE A 103 -22.294 4.262 4.334 1.00 4.47 C ATOM 1633 CD1 ILE A 103 -21.916 3.989 1.327 1.00 5.26 C ATOM 1634 OXT ILE A 103 -19.328 3.820 5.947 1.00 4.12 O ATOM 0 H ILE A 103 -18.530 5.028 3.140 1.00 2.41 H new ATOM 0 HA ILE A 103 -20.656 6.436 4.496 1.00 3.09 H new ATOM 0 HB ILE A 103 -20.422 3.536 3.607 1.00 3.79 H new ATOM 0 HG12 ILE A 103 -21.724 5.915 2.229 1.00 4.17 H new ATOM 0 HG13 ILE A 103 -20.201 5.188 1.754 1.00 4.17 H new ATOM 0 HG21 ILE A 103 -22.884 3.545 3.762 1.00 4.47 H new ATOM 0 HG22 ILE A 103 -22.124 3.873 5.338 1.00 4.47 H new ATOM 0 HG23 ILE A 103 -22.833 5.207 4.398 1.00 4.47 H new ATOM 0 HD11 ILE A 103 -22.030 4.405 0.326 1.00 5.26 H new ATOM 0 HD12 ILE A 103 -21.354 3.056 1.270 1.00 5.26 H new ATOM 0 HD13 ILE A 103 -22.900 3.795 1.753 1.00 5.26 H new TER 1646 ILE A 103