USER MOD reduce.3.24.130724 H: found=0, std=0, add=1177, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1170 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 141 HIS : no HD1:sc= -0.517 K(o=-0.84,f=-3.2) USER MOD Set 1.2: A 143 HIS : no HE2:sc= -0.324 K(o=-0.84,f=-3.6) USER MOD Set 2.1: A 95 MET CE :methyl 148:sc= -0.156 (180deg=-0.989) USER MOD Set 2.2: A 99 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 81 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 112 GLN : amide:sc=-0.00915 K(o=-0.0092,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc= -0.156 (180deg=-1.01) USER MOD Single : A 2 THR OG1 : rot -3:sc= 0.0449 USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= -0.021 (180deg=-0.383) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= -0.0554 (180deg=-0.508) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.938 X(o=-0.94,f=-0.99) USER MOD Single : A 21 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.8) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 87:sc= 0.0129 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00867 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot -85:sc= 0.363 USER MOD Single : A 44 ASN : amide:sc= -1.78 K(o=-1.8,f=-3.4!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 135:sc= 0.724 (180deg=-0.154) USER MOD Single : A 52 SER OG : rot 99:sc= 0.189 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 56 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.31) USER MOD Single : A 63 LYS NZ :NH3+ -116:sc= -1.28 (180deg=-2.75!) USER MOD Single : A 66 THR OG1 : rot 80:sc= 0.632 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -0.0361 (180deg=-0.365) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 143:sc= -1.43 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 83:sc= 0.962 USER MOD Single : A 87 CYS SG : rot 83:sc= -0.17 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 134:sc= 0.0966 (180deg=-3.29!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.159 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 82:sc= 0.19 USER MOD Single : A 106 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.86) USER MOD Single : A 109 ASN : amide:sc= -5.06! C(o=-5.1!,f=-7.5!) USER MOD Single : A 110 ASN : amide:sc= 0.00033 X(o=0.00033,f=0) USER MOD Single : A 111 LYS NZ :NH3+ -162:sc= -0.0274 (180deg=-0.376) USER MOD Single : A 117 LYS NZ :NH3+ 163:sc= -1.11 (180deg=-1.31) USER MOD Single : A 118 SER OG : rot 64:sc= 0.673 USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= -0.0414 K(o=-0.041,f=-2.5!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 THR OG1 : rot -43:sc= 0.731 USER MOD Single : A 130 LYS NZ :NH3+ 152:sc= -0.401 (180deg=-1.5!) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 140 HIS :FLIP no HD1:sc=-0.00538 F(o=-1.1,f=-0.0054) USER MOD Single : A 142 HIS : no HD1:sc= -1.15! C(o=-1.1!,f=-3.9!) USER MOD Single : A 144 HIS : no HE2:sc= -0.432 K(o=-0.43,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.391 12.145 -15.981 1.00 9.55 N ATOM 2 CA MET A 1 9.705 11.442 -15.994 1.00 8.99 C ATOM 3 C MET A 1 10.417 11.667 -14.659 1.00 8.11 C ATOM 4 O MET A 1 10.814 10.733 -13.992 1.00 8.07 O ATOM 5 CB MET A 1 10.567 11.993 -17.131 1.00 9.53 C ATOM 6 CG MET A 1 9.877 11.725 -18.470 1.00 9.86 C ATOM 7 SD MET A 1 10.015 9.966 -18.878 1.00 10.51 S ATOM 8 CE MET A 1 11.509 10.077 -19.895 1.00 11.01 C ATOM 0 H1 MET A 1 7.722 11.642 -16.598 1.00 9.55 H new ATOM 0 H2 MET A 1 8.018 12.166 -15.010 1.00 9.55 H new ATOM 0 H3 MET A 1 8.515 13.119 -16.325 1.00 9.55 H new ATOM 0 HA MET A 1 9.544 10.374 -16.145 1.00 8.99 H new ATOM 0 HB2 MET A 1 10.723 13.064 -16.998 1.00 9.53 H new ATOM 0 HB3 MET A 1 11.551 11.524 -17.116 1.00 9.53 H new ATOM 0 HG2 MET A 1 8.828 12.015 -18.415 1.00 9.86 H new ATOM 0 HG3 MET A 1 10.334 12.328 -19.254 1.00 9.86 H new ATOM 0 HE1 MET A 1 11.777 9.085 -20.257 1.00 11.01 H new ATOM 0 HE2 MET A 1 11.323 10.735 -20.744 1.00 11.01 H new ATOM 0 HE3 MET A 1 12.327 10.478 -19.297 1.00 11.01 H new ATOM 20 N THR A 2 10.582 12.900 -14.265 1.00 7.65 N ATOM 21 CA THR A 2 11.268 13.187 -12.973 1.00 6.99 C ATOM 22 C THR A 2 12.590 12.417 -12.910 1.00 6.39 C ATOM 23 O THR A 2 13.048 11.869 -13.893 1.00 6.45 O ATOM 24 CB THR A 2 10.369 12.759 -11.809 1.00 7.19 C ATOM 25 OG1 THR A 2 10.289 11.341 -11.769 1.00 7.73 O ATOM 26 CG2 THR A 2 8.970 13.345 -12.000 1.00 7.47 C ATOM 0 H THR A 2 10.271 13.722 -14.783 1.00 7.65 H new ATOM 0 HA THR A 2 11.469 14.256 -12.901 1.00 6.99 H new ATOM 0 HB THR A 2 10.789 13.126 -10.872 1.00 7.19 H new ATOM 0 HG1 THR A 2 10.784 10.964 -12.526 1.00 7.73 H new ATOM 0 HG21 THR A 2 8.331 13.040 -11.171 1.00 7.47 H new ATOM 0 HG22 THR A 2 9.032 14.433 -12.029 1.00 7.47 H new ATOM 0 HG23 THR A 2 8.548 12.981 -12.937 1.00 7.47 H new ATOM 34 N LYS A 3 13.207 12.376 -11.760 1.00 6.19 N ATOM 35 CA LYS A 3 14.500 11.647 -11.632 1.00 6.01 C ATOM 36 C LYS A 3 14.240 10.139 -11.712 1.00 5.30 C ATOM 37 O LYS A 3 13.124 9.699 -11.906 1.00 5.35 O ATOM 38 CB LYS A 3 15.152 11.993 -10.282 1.00 6.71 C ATOM 39 CG LYS A 3 15.938 13.305 -10.395 1.00 7.63 C ATOM 40 CD LYS A 3 14.979 14.456 -10.703 1.00 8.30 C ATOM 41 CE LYS A 3 15.729 15.785 -10.602 1.00 9.15 C ATOM 42 NZ LYS A 3 16.842 15.799 -11.592 1.00 9.76 N ATOM 0 H LYS A 3 12.871 12.816 -10.904 1.00 6.19 H new ATOM 0 HA LYS A 3 15.170 11.942 -12.439 1.00 6.01 H new ATOM 0 HB2 LYS A 3 14.386 12.085 -9.512 1.00 6.71 H new ATOM 0 HB3 LYS A 3 15.818 11.187 -9.974 1.00 6.71 H new ATOM 0 HG2 LYS A 3 16.471 13.502 -9.465 1.00 7.63 H new ATOM 0 HG3 LYS A 3 16.688 13.224 -11.181 1.00 7.63 H new ATOM 0 HD2 LYS A 3 14.561 14.337 -11.702 1.00 8.30 H new ATOM 0 HD3 LYS A 3 14.143 14.444 -10.004 1.00 8.30 H new ATOM 0 HE2 LYS A 3 15.048 16.615 -10.791 1.00 9.15 H new ATOM 0 HE3 LYS A 3 16.122 15.918 -9.594 1.00 9.15 H new ATOM 0 HZ1 LYS A 3 17.190 16.772 -11.709 1.00 9.76 H new ATOM 0 HZ2 LYS A 3 17.616 15.193 -11.253 1.00 9.76 H new ATOM 0 HZ3 LYS A 3 16.498 15.442 -12.506 1.00 9.76 H new ATOM 56 N VAL A 4 15.266 9.346 -11.564 1.00 4.99 N ATOM 57 CA VAL A 4 15.086 7.869 -11.632 1.00 4.62 C ATOM 58 C VAL A 4 14.395 7.380 -10.354 1.00 3.72 C ATOM 59 O VAL A 4 13.237 7.662 -10.117 1.00 3.85 O ATOM 60 CB VAL A 4 16.459 7.195 -11.773 1.00 5.40 C ATOM 61 CG1 VAL A 4 16.941 7.305 -13.223 1.00 5.99 C ATOM 62 CG2 VAL A 4 17.467 7.890 -10.851 1.00 5.96 C ATOM 0 H VAL A 4 16.223 9.659 -11.399 1.00 4.99 H new ATOM 0 HA VAL A 4 14.469 7.613 -12.493 1.00 4.62 H new ATOM 0 HB VAL A 4 16.374 6.144 -11.497 1.00 5.40 H new ATOM 0 HG11 VAL A 4 17.915 6.826 -13.320 1.00 5.99 H new ATOM 0 HG12 VAL A 4 16.227 6.812 -13.882 1.00 5.99 H new ATOM 0 HG13 VAL A 4 17.024 8.356 -13.500 1.00 5.99 H new ATOM 0 HG21 VAL A 4 18.441 7.412 -10.951 1.00 5.96 H new ATOM 0 HG22 VAL A 4 17.549 8.941 -11.128 1.00 5.96 H new ATOM 0 HG23 VAL A 4 17.129 7.812 -9.818 1.00 5.96 H new ATOM 72 N ASP A 5 15.095 6.648 -9.532 1.00 3.31 N ATOM 73 CA ASP A 5 14.477 6.140 -8.274 1.00 2.92 C ATOM 74 C ASP A 5 14.028 7.317 -7.410 1.00 2.11 C ATOM 75 O ASP A 5 14.832 7.985 -6.790 1.00 2.43 O ATOM 76 CB ASP A 5 15.505 5.313 -7.498 1.00 3.73 C ATOM 77 CG ASP A 5 16.115 4.255 -8.418 1.00 4.37 C ATOM 78 OD1 ASP A 5 15.440 3.276 -8.692 1.00 4.78 O ATOM 79 OD2 ASP A 5 17.248 4.440 -8.832 1.00 4.87 O ATOM 0 H ASP A 5 16.068 6.379 -9.677 1.00 3.31 H new ATOM 0 HA ASP A 5 13.616 5.519 -8.523 1.00 2.92 H new ATOM 0 HB2 ASP A 5 16.287 5.963 -7.106 1.00 3.73 H new ATOM 0 HB3 ASP A 5 15.030 4.834 -6.642 1.00 3.73 H new ATOM 84 N PHE A 6 12.749 7.575 -7.351 1.00 1.65 N ATOM 85 CA PHE A 6 12.259 8.706 -6.512 1.00 1.63 C ATOM 86 C PHE A 6 10.761 8.529 -6.241 1.00 1.38 C ATOM 87 O PHE A 6 9.935 8.982 -7.010 1.00 1.88 O ATOM 88 CB PHE A 6 12.497 10.032 -7.263 1.00 2.27 C ATOM 89 CG PHE A 6 12.580 11.172 -6.268 1.00 2.46 C ATOM 90 CD1 PHE A 6 11.409 11.763 -5.776 1.00 3.07 C ATOM 91 CD2 PHE A 6 13.830 11.628 -5.830 1.00 2.80 C ATOM 92 CE1 PHE A 6 11.490 12.810 -4.848 1.00 3.67 C ATOM 93 CE2 PHE A 6 13.910 12.675 -4.904 1.00 3.39 C ATOM 94 CZ PHE A 6 12.740 13.266 -4.413 1.00 3.70 C ATOM 0 H PHE A 6 12.025 7.054 -7.845 1.00 1.65 H new ATOM 0 HA PHE A 6 12.796 8.722 -5.564 1.00 1.63 H new ATOM 0 HB2 PHE A 6 13.419 9.973 -7.842 1.00 2.27 H new ATOM 0 HB3 PHE A 6 11.687 10.211 -7.970 1.00 2.27 H new ATOM 0 HD1 PHE A 6 10.444 11.412 -6.112 1.00 3.07 H new ATOM 0 HD2 PHE A 6 14.733 11.171 -6.207 1.00 2.80 H new ATOM 0 HE1 PHE A 6 10.587 13.265 -4.468 1.00 3.67 H new ATOM 0 HE2 PHE A 6 14.874 13.027 -4.569 1.00 3.39 H new ATOM 0 HZ PHE A 6 12.802 14.074 -3.699 1.00 3.70 H new ATOM 104 N TRP A 7 10.386 7.869 -5.176 1.00 1.09 N ATOM 105 CA TRP A 7 8.925 7.684 -4.914 1.00 0.88 C ATOM 106 C TRP A 7 8.271 7.105 -6.190 1.00 0.73 C ATOM 107 O TRP A 7 7.743 7.854 -6.989 1.00 0.71 O ATOM 108 CB TRP A 7 8.296 9.056 -4.583 1.00 0.91 C ATOM 109 CG TRP A 7 8.480 9.411 -3.128 1.00 0.90 C ATOM 110 CD1 TRP A 7 9.273 8.762 -2.231 1.00 1.12 C ATOM 111 CD2 TRP A 7 7.866 10.514 -2.392 1.00 0.83 C ATOM 112 NE1 TRP A 7 9.162 9.385 -1.003 1.00 1.12 N ATOM 113 CE2 TRP A 7 8.311 10.469 -1.050 1.00 0.95 C ATOM 114 CE3 TRP A 7 6.969 11.535 -2.756 1.00 0.89 C ATOM 115 CZ2 TRP A 7 7.883 11.401 -0.103 1.00 1.04 C ATOM 116 CZ3 TRP A 7 6.538 12.477 -1.807 1.00 1.09 C ATOM 117 CH2 TRP A 7 6.993 12.409 -0.483 1.00 1.12 C ATOM 0 H TRP A 7 11.014 7.456 -4.487 1.00 1.09 H new ATOM 0 HA TRP A 7 8.769 7.005 -4.076 1.00 0.88 H new ATOM 0 HB2 TRP A 7 8.750 9.826 -5.207 1.00 0.91 H new ATOM 0 HB3 TRP A 7 7.233 9.038 -4.823 1.00 0.91 H new ATOM 0 HD1 TRP A 7 9.888 7.901 -2.445 1.00 1.12 H new ATOM 0 HE1 TRP A 7 9.651 9.080 -0.162 1.00 1.12 H new ATOM 0 HE3 TRP A 7 6.609 11.595 -3.773 1.00 0.89 H new ATOM 0 HZ2 TRP A 7 8.237 11.343 0.916 1.00 1.04 H new ATOM 0 HZ3 TRP A 7 5.852 13.258 -2.099 1.00 1.09 H new ATOM 0 HH2 TRP A 7 6.656 13.135 0.242 1.00 1.12 H new ATOM 128 N PRO A 8 8.337 5.793 -6.369 1.00 0.67 N ATOM 129 CA PRO A 8 7.763 5.151 -7.571 1.00 0.58 C ATOM 130 C PRO A 8 6.259 5.440 -7.669 1.00 0.52 C ATOM 131 O PRO A 8 5.716 6.229 -6.919 1.00 0.58 O ATOM 132 CB PRO A 8 8.041 3.636 -7.389 1.00 0.62 C ATOM 133 CG PRO A 8 8.882 3.469 -6.091 1.00 0.71 C ATOM 134 CD PRO A 8 8.972 4.855 -5.413 1.00 0.75 C ATOM 0 HA PRO A 8 8.203 5.529 -8.494 1.00 0.58 H new ATOM 0 HB2 PRO A 8 7.106 3.081 -7.314 1.00 0.62 H new ATOM 0 HB3 PRO A 8 8.580 3.239 -8.249 1.00 0.62 H new ATOM 0 HG2 PRO A 8 8.416 2.745 -5.423 1.00 0.71 H new ATOM 0 HG3 PRO A 8 9.877 3.092 -6.325 1.00 0.71 H new ATOM 0 HD2 PRO A 8 8.455 4.859 -4.454 1.00 0.75 H new ATOM 0 HD3 PRO A 8 10.008 5.132 -5.218 1.00 0.75 H new ATOM 142 N THR A 9 5.587 4.786 -8.584 1.00 0.48 N ATOM 143 CA THR A 9 4.113 4.989 -8.742 1.00 0.46 C ATOM 144 C THR A 9 3.384 3.768 -8.202 1.00 0.43 C ATOM 145 O THR A 9 3.987 2.766 -7.872 1.00 0.44 O ATOM 146 CB THR A 9 3.754 5.142 -10.223 1.00 0.47 C ATOM 147 OG1 THR A 9 4.078 3.944 -10.916 1.00 0.72 O ATOM 148 CG2 THR A 9 4.528 6.306 -10.830 1.00 0.73 C ATOM 0 H THR A 9 5.999 4.116 -9.233 1.00 0.48 H new ATOM 0 HA THR A 9 3.822 5.888 -8.199 1.00 0.46 H new ATOM 0 HB THR A 9 2.686 5.339 -10.312 1.00 0.47 H new ATOM 0 HG1 THR A 9 3.847 4.041 -11.863 1.00 0.72 H new ATOM 0 HG21 THR A 9 4.266 6.407 -11.883 1.00 0.73 H new ATOM 0 HG22 THR A 9 4.274 7.226 -10.303 1.00 0.73 H new ATOM 0 HG23 THR A 9 5.598 6.119 -10.738 1.00 0.73 H new ATOM 156 N LEU A 10 2.090 3.829 -8.140 1.00 0.41 N ATOM 157 CA LEU A 10 1.328 2.656 -7.655 1.00 0.40 C ATOM 158 C LEU A 10 1.415 1.569 -8.719 1.00 0.39 C ATOM 159 O LEU A 10 1.281 0.396 -8.439 1.00 0.39 O ATOM 160 CB LEU A 10 -0.139 3.036 -7.427 1.00 0.41 C ATOM 161 CG LEU A 10 -0.991 1.775 -7.184 1.00 0.37 C ATOM 162 CD1 LEU A 10 -0.429 0.967 -6.010 1.00 0.41 C ATOM 163 CD2 LEU A 10 -2.414 2.199 -6.846 1.00 0.41 C ATOM 0 H LEU A 10 1.528 4.638 -8.404 1.00 0.41 H new ATOM 0 HA LEU A 10 1.743 2.304 -6.711 1.00 0.40 H new ATOM 0 HB2 LEU A 10 -0.218 3.706 -6.571 1.00 0.41 H new ATOM 0 HB3 LEU A 10 -0.519 3.578 -8.293 1.00 0.41 H new ATOM 0 HG LEU A 10 -0.975 1.159 -8.083 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.042 0.080 -5.852 1.00 0.41 H new ATOM 0 HD12 LEU A 10 0.594 0.665 -6.233 1.00 0.41 H new ATOM 0 HD13 LEU A 10 -0.439 1.580 -5.109 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -3.026 1.314 -6.672 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -2.406 2.817 -5.948 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -2.830 2.770 -7.676 1.00 0.41 H new ATOM 175 N LYS A 11 1.634 1.933 -9.950 1.00 0.42 N ATOM 176 CA LYS A 11 1.713 0.898 -11.003 1.00 0.44 C ATOM 177 C LYS A 11 2.937 0.026 -10.763 1.00 0.43 C ATOM 178 O LYS A 11 2.968 -1.128 -11.140 1.00 0.45 O ATOM 179 CB LYS A 11 1.825 1.574 -12.375 1.00 0.49 C ATOM 180 CG LYS A 11 1.626 0.535 -13.495 1.00 0.83 C ATOM 181 CD LYS A 11 0.133 0.368 -13.805 1.00 0.98 C ATOM 182 CE LYS A 11 -0.041 -0.667 -14.917 1.00 1.64 C ATOM 183 NZ LYS A 11 0.575 -0.152 -16.171 1.00 2.31 N ATOM 0 H LYS A 11 1.760 2.895 -10.266 1.00 0.42 H new ATOM 0 HA LYS A 11 0.816 0.280 -10.976 1.00 0.44 H new ATOM 0 HB2 LYS A 11 1.077 2.362 -12.463 1.00 0.49 H new ATOM 0 HB3 LYS A 11 2.801 2.048 -12.477 1.00 0.49 H new ATOM 0 HG2 LYS A 11 2.158 0.851 -14.392 1.00 0.83 H new ATOM 0 HG3 LYS A 11 2.051 -0.422 -13.193 1.00 0.83 H new ATOM 0 HD2 LYS A 11 -0.402 0.050 -12.910 1.00 0.98 H new ATOM 0 HD3 LYS A 11 -0.295 1.322 -14.111 1.00 0.98 H new ATOM 0 HE2 LYS A 11 0.426 -1.609 -14.629 1.00 1.64 H new ATOM 0 HE3 LYS A 11 -1.100 -0.872 -15.076 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 0.182 -0.664 -16.987 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 0.370 0.863 -16.267 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 1.605 -0.295 -16.136 1.00 2.31 H new ATOM 197 N ASP A 12 3.961 0.567 -10.163 1.00 0.43 N ATOM 198 CA ASP A 12 5.176 -0.252 -9.945 1.00 0.45 C ATOM 199 C ASP A 12 4.795 -1.487 -9.124 1.00 0.44 C ATOM 200 O ASP A 12 5.458 -2.506 -9.159 1.00 0.46 O ATOM 201 CB ASP A 12 6.225 0.568 -9.190 1.00 0.48 C ATOM 202 CG ASP A 12 7.585 -0.123 -9.298 1.00 1.16 C ATOM 203 OD1 ASP A 12 7.638 -1.322 -9.077 1.00 1.88 O ATOM 204 OD2 ASP A 12 8.552 0.557 -9.602 1.00 1.94 O ATOM 0 H ASP A 12 4.006 1.527 -9.820 1.00 0.43 H new ATOM 0 HA ASP A 12 5.593 -0.559 -10.904 1.00 0.45 H new ATOM 0 HB2 ASP A 12 6.282 1.575 -9.604 1.00 0.48 H new ATOM 0 HB3 ASP A 12 5.939 0.670 -8.143 1.00 0.48 H new ATOM 209 N ALA A 13 3.724 -1.387 -8.367 1.00 0.43 N ATOM 210 CA ALA A 13 3.288 -2.534 -7.521 1.00 0.45 C ATOM 211 C ALA A 13 2.879 -3.706 -8.413 1.00 0.49 C ATOM 212 O ALA A 13 3.081 -4.855 -8.074 1.00 0.57 O ATOM 213 CB ALA A 13 2.099 -2.102 -6.659 1.00 0.44 C ATOM 0 H ALA A 13 3.136 -0.556 -8.303 1.00 0.43 H new ATOM 0 HA ALA A 13 4.111 -2.846 -6.877 1.00 0.45 H new ATOM 0 HB1 ALA A 13 1.777 -2.938 -6.038 1.00 0.44 H new ATOM 0 HB2 ALA A 13 2.396 -1.270 -6.021 1.00 0.44 H new ATOM 0 HB3 ALA A 13 1.277 -1.790 -7.303 1.00 0.44 H new ATOM 219 N TYR A 14 2.311 -3.425 -9.552 1.00 0.54 N ATOM 220 CA TYR A 14 1.897 -4.525 -10.467 1.00 0.60 C ATOM 221 C TYR A 14 3.136 -5.067 -11.186 1.00 0.67 C ATOM 222 O TYR A 14 3.032 -5.749 -12.186 1.00 1.15 O ATOM 223 CB TYR A 14 0.909 -3.986 -11.506 1.00 0.61 C ATOM 224 CG TYR A 14 -0.457 -3.798 -10.880 1.00 0.58 C ATOM 225 CD1 TYR A 14 -0.685 -2.728 -10.006 1.00 1.32 C ATOM 226 CD2 TYR A 14 -1.498 -4.685 -11.186 1.00 1.37 C ATOM 227 CE1 TYR A 14 -1.952 -2.547 -9.436 1.00 1.33 C ATOM 228 CE2 TYR A 14 -2.764 -4.502 -10.619 1.00 1.41 C ATOM 229 CZ TYR A 14 -2.991 -3.433 -9.744 1.00 0.70 C ATOM 230 OH TYR A 14 -4.241 -3.253 -9.186 1.00 0.82 O ATOM 0 H TYR A 14 2.116 -2.482 -9.889 1.00 0.54 H new ATOM 0 HA TYR A 14 1.421 -5.319 -9.892 1.00 0.60 H new ATOM 0 HB2 TYR A 14 1.269 -3.037 -11.903 1.00 0.61 H new ATOM 0 HB3 TYR A 14 0.840 -4.677 -12.346 1.00 0.61 H new ATOM 0 HD1 TYR A 14 0.116 -2.042 -9.771 1.00 1.32 H new ATOM 0 HD2 TYR A 14 -1.323 -5.510 -11.860 1.00 1.37 H new ATOM 0 HE1 TYR A 14 -2.127 -1.724 -8.759 1.00 1.33 H new ATOM 0 HE2 TYR A 14 -3.566 -5.185 -10.856 1.00 1.41 H new ATOM 0 HH TYR A 14 -4.846 -3.955 -9.505 1.00 0.82 H new ATOM 240 N GLU A 15 4.309 -4.777 -10.676 1.00 0.57 N ATOM 241 CA GLU A 15 5.562 -5.281 -11.321 1.00 0.60 C ATOM 242 C GLU A 15 6.101 -6.472 -10.497 1.00 0.53 C ATOM 243 O GLU A 15 6.546 -6.264 -9.387 1.00 0.57 O ATOM 244 CB GLU A 15 6.617 -4.168 -11.325 1.00 0.68 C ATOM 245 CG GLU A 15 7.731 -4.541 -12.308 1.00 0.89 C ATOM 246 CD GLU A 15 8.866 -3.522 -12.219 1.00 1.59 C ATOM 247 OE1 GLU A 15 9.766 -3.735 -11.423 1.00 2.32 O ATOM 248 OE2 GLU A 15 8.819 -2.548 -12.952 1.00 2.12 O ATOM 0 H GLU A 15 4.453 -4.212 -9.839 1.00 0.57 H new ATOM 0 HA GLU A 15 5.350 -5.591 -12.344 1.00 0.60 H new ATOM 0 HB2 GLU A 15 6.163 -3.220 -11.613 1.00 0.68 H new ATOM 0 HB3 GLU A 15 7.027 -4.034 -10.324 1.00 0.68 H new ATOM 0 HG2 GLU A 15 8.108 -5.539 -12.083 1.00 0.89 H new ATOM 0 HG3 GLU A 15 7.337 -4.571 -13.324 1.00 0.89 H new ATOM 255 N PRO A 16 6.050 -7.686 -11.020 1.00 0.51 N ATOM 256 CA PRO A 16 6.541 -8.848 -10.259 1.00 0.48 C ATOM 257 C PRO A 16 8.028 -8.688 -9.886 1.00 0.51 C ATOM 258 O PRO A 16 8.547 -7.596 -9.772 1.00 0.76 O ATOM 259 CB PRO A 16 6.303 -10.070 -11.180 1.00 0.53 C ATOM 260 CG PRO A 16 5.618 -9.551 -12.475 1.00 0.64 C ATOM 261 CD PRO A 16 5.516 -8.013 -12.365 1.00 0.60 C ATOM 0 HA PRO A 16 6.019 -8.961 -9.309 1.00 0.48 H new ATOM 0 HB2 PRO A 16 7.247 -10.562 -11.416 1.00 0.53 H new ATOM 0 HB3 PRO A 16 5.674 -10.808 -10.683 1.00 0.53 H new ATOM 0 HG2 PRO A 16 6.196 -9.835 -13.354 1.00 0.64 H new ATOM 0 HG3 PRO A 16 4.628 -9.993 -12.588 1.00 0.64 H new ATOM 0 HD2 PRO A 16 6.094 -7.522 -13.149 1.00 0.60 H new ATOM 0 HD3 PRO A 16 4.484 -7.678 -12.472 1.00 0.60 H new ATOM 269 N LEU A 17 8.681 -9.790 -9.651 1.00 0.63 N ATOM 270 CA LEU A 17 10.110 -9.788 -9.224 1.00 0.74 C ATOM 271 C LEU A 17 10.577 -11.249 -9.218 1.00 0.79 C ATOM 272 O LEU A 17 9.786 -12.159 -9.063 1.00 1.03 O ATOM 273 CB LEU A 17 10.193 -9.120 -7.814 1.00 0.79 C ATOM 274 CG LEU A 17 11.038 -9.929 -6.793 1.00 1.26 C ATOM 275 CD1 LEU A 17 11.555 -8.987 -5.696 1.00 1.12 C ATOM 276 CD2 LEU A 17 10.176 -11.045 -6.159 1.00 2.28 C ATOM 0 H LEU A 17 8.272 -10.720 -9.740 1.00 0.63 H new ATOM 0 HA LEU A 17 10.757 -9.221 -9.892 1.00 0.74 H new ATOM 0 HB2 LEU A 17 10.621 -8.123 -7.918 1.00 0.79 H new ATOM 0 HB3 LEU A 17 9.184 -8.995 -7.420 1.00 0.79 H new ATOM 0 HG LEU A 17 11.883 -10.385 -7.309 1.00 1.26 H new ATOM 0 HD11 LEU A 17 12.148 -9.554 -4.979 1.00 1.12 H new ATOM 0 HD12 LEU A 17 12.174 -8.210 -6.145 1.00 1.12 H new ATOM 0 HD13 LEU A 17 10.710 -8.526 -5.184 1.00 1.12 H new ATOM 0 HD21 LEU A 17 10.777 -11.607 -5.444 1.00 2.28 H new ATOM 0 HD22 LEU A 17 9.324 -10.599 -5.646 1.00 2.28 H new ATOM 0 HD23 LEU A 17 9.818 -11.716 -6.940 1.00 2.28 H new ATOM 288 N TYR A 18 11.856 -11.483 -9.391 1.00 0.78 N ATOM 289 CA TYR A 18 12.368 -12.885 -9.398 1.00 0.88 C ATOM 290 C TYR A 18 12.732 -13.280 -7.949 1.00 0.76 C ATOM 291 O TYR A 18 13.081 -12.417 -7.167 1.00 0.63 O ATOM 292 CB TYR A 18 13.623 -12.962 -10.295 1.00 1.09 C ATOM 293 CG TYR A 18 13.541 -11.911 -11.385 1.00 0.78 C ATOM 294 CD1 TYR A 18 12.390 -11.813 -12.176 1.00 1.46 C ATOM 295 CD2 TYR A 18 14.614 -11.035 -11.601 1.00 1.41 C ATOM 296 CE1 TYR A 18 12.312 -10.841 -13.182 1.00 1.64 C ATOM 297 CE2 TYR A 18 14.535 -10.064 -12.605 1.00 1.67 C ATOM 298 CZ TYR A 18 13.385 -9.966 -13.396 1.00 1.40 C ATOM 299 OH TYR A 18 13.307 -9.008 -14.387 1.00 1.95 O ATOM 0 H TYR A 18 12.565 -10.763 -9.527 1.00 0.78 H new ATOM 0 HA TYR A 18 11.611 -13.566 -9.786 1.00 0.88 H new ATOM 0 HB2 TYR A 18 14.520 -12.808 -9.695 1.00 1.09 H new ATOM 0 HB3 TYR A 18 13.703 -13.954 -10.739 1.00 1.09 H new ATOM 0 HD1 TYR A 18 11.562 -12.487 -12.011 1.00 1.46 H new ATOM 0 HD2 TYR A 18 15.503 -11.110 -10.992 1.00 1.41 H new ATOM 0 HE1 TYR A 18 11.424 -10.766 -13.793 1.00 1.64 H new ATOM 0 HE2 TYR A 18 15.362 -9.390 -12.770 1.00 1.67 H new ATOM 0 HH TYR A 18 14.135 -8.484 -14.401 1.00 1.95 H new ATOM 309 N PRO A 19 12.656 -14.554 -7.614 1.00 0.88 N ATOM 310 CA PRO A 19 13.000 -15.003 -6.251 1.00 0.87 C ATOM 311 C PRO A 19 14.458 -14.640 -5.913 1.00 0.80 C ATOM 312 O PRO A 19 14.831 -14.565 -4.758 1.00 0.77 O ATOM 313 CB PRO A 19 12.793 -16.538 -6.267 1.00 1.11 C ATOM 314 CG PRO A 19 12.389 -16.938 -7.715 1.00 1.24 C ATOM 315 CD PRO A 19 12.230 -15.636 -8.532 1.00 1.09 C ATOM 0 HA PRO A 19 12.383 -14.523 -5.491 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.707 -17.052 -5.968 1.00 1.11 H new ATOM 0 HB3 PRO A 19 12.017 -16.828 -5.558 1.00 1.11 H new ATOM 0 HG2 PRO A 19 13.149 -17.580 -8.161 1.00 1.24 H new ATOM 0 HG3 PRO A 19 11.457 -17.503 -7.710 1.00 1.24 H new ATOM 0 HD2 PRO A 19 12.846 -15.656 -9.431 1.00 1.09 H new ATOM 0 HD3 PRO A 19 11.198 -15.496 -8.855 1.00 1.09 H new ATOM 323 N GLN A 20 15.288 -14.421 -6.901 1.00 0.80 N ATOM 324 CA GLN A 20 16.710 -14.079 -6.614 1.00 0.77 C ATOM 325 C GLN A 20 16.795 -12.675 -6.001 1.00 0.68 C ATOM 326 O GLN A 20 17.406 -12.475 -4.969 1.00 0.67 O ATOM 327 CB GLN A 20 17.507 -14.133 -7.937 1.00 0.85 C ATOM 328 CG GLN A 20 18.937 -14.625 -7.683 1.00 1.41 C ATOM 329 CD GLN A 20 19.619 -13.722 -6.654 1.00 1.86 C ATOM 330 OE1 GLN A 20 19.646 -14.032 -5.480 1.00 2.60 O ATOM 331 NE2 GLN A 20 20.178 -12.610 -7.047 1.00 2.30 N ATOM 0 H GLN A 20 15.042 -14.464 -7.890 1.00 0.80 H new ATOM 0 HA GLN A 20 17.129 -14.791 -5.903 1.00 0.77 H new ATOM 0 HB2 GLN A 20 17.008 -14.797 -8.642 1.00 0.85 H new ATOM 0 HB3 GLN A 20 17.532 -13.144 -8.394 1.00 0.85 H new ATOM 0 HG2 GLN A 20 18.919 -15.654 -7.323 1.00 1.41 H new ATOM 0 HG3 GLN A 20 19.503 -14.623 -8.614 1.00 1.41 H new ATOM 0 HE21 GLN A 20 20.156 -12.349 -8.033 1.00 2.30 H new ATOM 0 HE22 GLN A 20 20.637 -12.002 -6.368 1.00 2.30 H new ATOM 340 N GLN A 21 16.195 -11.701 -6.630 1.00 0.64 N ATOM 341 CA GLN A 21 16.252 -10.315 -6.084 1.00 0.59 C ATOM 342 C GLN A 21 15.723 -10.305 -4.651 1.00 0.50 C ATOM 343 O GLN A 21 16.157 -9.530 -3.822 1.00 0.47 O ATOM 344 CB GLN A 21 15.397 -9.384 -6.951 1.00 0.64 C ATOM 345 CG GLN A 21 15.616 -9.713 -8.430 1.00 1.02 C ATOM 346 CD GLN A 21 15.115 -8.553 -9.293 1.00 1.57 C ATOM 347 OE1 GLN A 21 15.644 -8.299 -10.357 1.00 2.34 O ATOM 348 NE2 GLN A 21 14.111 -7.832 -8.875 1.00 1.94 N ATOM 0 H GLN A 21 15.668 -11.805 -7.497 1.00 0.64 H new ATOM 0 HA GLN A 21 17.285 -9.969 -6.091 1.00 0.59 H new ATOM 0 HB2 GLN A 21 14.344 -9.498 -6.695 1.00 0.64 H new ATOM 0 HB3 GLN A 21 15.662 -8.345 -6.756 1.00 0.64 H new ATOM 0 HG2 GLN A 21 16.674 -9.891 -8.621 1.00 1.02 H new ATOM 0 HG3 GLN A 21 15.087 -10.629 -8.691 1.00 1.02 H new ATOM 0 HE21 GLN A 21 13.667 -8.045 -7.982 1.00 1.94 H new ATOM 0 HE22 GLN A 21 13.770 -7.055 -9.441 1.00 1.94 H new ATOM 357 N LEU A 22 14.790 -11.162 -4.351 1.00 0.52 N ATOM 358 CA LEU A 22 14.240 -11.199 -2.975 1.00 0.46 C ATOM 359 C LEU A 22 15.317 -11.700 -2.014 1.00 0.42 C ATOM 360 O LEU A 22 15.353 -11.318 -0.861 1.00 0.40 O ATOM 361 CB LEU A 22 13.029 -12.137 -2.941 1.00 0.52 C ATOM 362 CG LEU A 22 12.402 -12.160 -1.539 1.00 0.59 C ATOM 363 CD1 LEU A 22 11.821 -10.780 -1.184 1.00 0.52 C ATOM 364 CD2 LEU A 22 11.290 -13.212 -1.520 1.00 0.93 C ATOM 0 H LEU A 22 14.386 -11.837 -5.000 1.00 0.52 H new ATOM 0 HA LEU A 22 13.928 -10.199 -2.672 1.00 0.46 H new ATOM 0 HB2 LEU A 22 12.289 -11.810 -3.671 1.00 0.52 H new ATOM 0 HB3 LEU A 22 13.334 -13.144 -3.225 1.00 0.52 H new ATOM 0 HG LEU A 22 13.167 -12.407 -0.803 1.00 0.59 H new ATOM 0 HD11 LEU A 22 11.381 -10.816 -0.187 1.00 0.52 H new ATOM 0 HD12 LEU A 22 12.616 -10.035 -1.203 1.00 0.52 H new ATOM 0 HD13 LEU A 22 11.054 -10.511 -1.910 1.00 0.52 H new ATOM 0 HD21 LEU A 22 10.834 -13.241 -0.531 1.00 0.93 H new ATOM 0 HD22 LEU A 22 10.533 -12.955 -2.261 1.00 0.93 H new ATOM 0 HD23 LEU A 22 11.710 -14.190 -1.755 1.00 0.93 H new ATOM 376 N GLU A 23 16.195 -12.561 -2.464 1.00 0.44 N ATOM 377 CA GLU A 23 17.248 -13.072 -1.538 1.00 0.42 C ATOM 378 C GLU A 23 18.322 -11.998 -1.349 1.00 0.38 C ATOM 379 O GLU A 23 18.952 -11.917 -0.312 1.00 0.37 O ATOM 380 CB GLU A 23 17.875 -14.349 -2.103 1.00 0.47 C ATOM 381 CG GLU A 23 16.848 -15.485 -2.079 1.00 1.13 C ATOM 382 CD GLU A 23 16.710 -16.024 -0.653 1.00 1.66 C ATOM 383 OE1 GLU A 23 17.557 -16.805 -0.252 1.00 2.28 O ATOM 384 OE2 GLU A 23 15.760 -15.645 0.012 1.00 2.30 O ATOM 0 H GLU A 23 16.228 -12.926 -3.416 1.00 0.44 H new ATOM 0 HA GLU A 23 16.796 -13.306 -0.574 1.00 0.42 H new ATOM 0 HB2 GLU A 23 18.217 -14.177 -3.124 1.00 0.47 H new ATOM 0 HB3 GLU A 23 18.751 -14.626 -1.516 1.00 0.47 H new ATOM 0 HG2 GLU A 23 15.884 -15.124 -2.437 1.00 1.13 H new ATOM 0 HG3 GLU A 23 17.159 -16.284 -2.752 1.00 1.13 H new ATOM 391 N ILE A 24 18.533 -11.165 -2.333 1.00 0.39 N ATOM 392 CA ILE A 24 19.556 -10.100 -2.189 1.00 0.39 C ATOM 393 C ILE A 24 19.179 -9.220 -0.993 1.00 0.36 C ATOM 394 O ILE A 24 19.964 -9.010 -0.090 1.00 0.37 O ATOM 395 CB ILE A 24 19.586 -9.266 -3.475 1.00 0.44 C ATOM 396 CG1 ILE A 24 20.051 -10.158 -4.637 1.00 0.52 C ATOM 397 CG2 ILE A 24 20.550 -8.091 -3.305 1.00 0.48 C ATOM 398 CD1 ILE A 24 20.026 -9.378 -5.959 1.00 0.89 C ATOM 0 H ILE A 24 18.041 -11.179 -3.226 1.00 0.39 H new ATOM 0 HA ILE A 24 20.543 -10.532 -2.022 1.00 0.39 H new ATOM 0 HB ILE A 24 18.590 -8.878 -3.687 1.00 0.44 H new ATOM 0 HG12 ILE A 24 21.060 -10.522 -4.442 1.00 0.52 H new ATOM 0 HG13 ILE A 24 19.405 -11.033 -4.712 1.00 0.52 H new ATOM 0 HG21 ILE A 24 20.569 -7.500 -4.221 1.00 0.48 H new ATOM 0 HG22 ILE A 24 20.218 -7.465 -2.476 1.00 0.48 H new ATOM 0 HG23 ILE A 24 21.551 -8.469 -3.096 1.00 0.48 H new ATOM 0 HD11 ILE A 24 20.358 -10.026 -6.770 1.00 0.89 H new ATOM 0 HD12 ILE A 24 19.011 -9.036 -6.161 1.00 0.89 H new ATOM 0 HD13 ILE A 24 20.691 -8.517 -5.886 1.00 0.89 H new ATOM 410 N LEU A 25 17.979 -8.708 -0.981 1.00 0.34 N ATOM 411 CA LEU A 25 17.546 -7.848 0.158 1.00 0.34 C ATOM 412 C LEU A 25 17.606 -8.660 1.458 1.00 0.32 C ATOM 413 O LEU A 25 17.811 -8.122 2.527 1.00 0.34 O ATOM 414 CB LEU A 25 16.111 -7.363 -0.078 1.00 0.36 C ATOM 415 CG LEU A 25 16.013 -6.649 -1.433 1.00 0.38 C ATOM 416 CD1 LEU A 25 14.541 -6.376 -1.756 1.00 0.44 C ATOM 417 CD2 LEU A 25 16.783 -5.318 -1.389 1.00 0.41 C ATOM 0 H LEU A 25 17.279 -8.848 -1.710 1.00 0.34 H new ATOM 0 HA LEU A 25 18.208 -6.986 0.235 1.00 0.34 H new ATOM 0 HB2 LEU A 25 15.424 -8.209 -0.053 1.00 0.36 H new ATOM 0 HB3 LEU A 25 15.811 -6.685 0.722 1.00 0.36 H new ATOM 0 HG LEU A 25 16.449 -7.285 -2.203 1.00 0.38 H new ATOM 0 HD11 LEU A 25 14.468 -5.869 -2.718 1.00 0.44 H new ATOM 0 HD12 LEU A 25 13.997 -7.320 -1.801 1.00 0.44 H new ATOM 0 HD13 LEU A 25 14.109 -5.745 -0.979 1.00 0.44 H new ATOM 0 HD21 LEU A 25 16.706 -4.821 -2.356 1.00 0.41 H new ATOM 0 HD22 LEU A 25 16.358 -4.677 -0.617 1.00 0.41 H new ATOM 0 HD23 LEU A 25 17.832 -5.512 -1.163 1.00 0.41 H new ATOM 429 N ARG A 26 17.428 -9.951 1.372 1.00 0.31 N ATOM 430 CA ARG A 26 17.476 -10.799 2.598 1.00 0.33 C ATOM 431 C ARG A 26 18.933 -11.026 3.008 1.00 0.31 C ATOM 432 O ARG A 26 19.256 -11.097 4.178 1.00 0.32 O ATOM 433 CB ARG A 26 16.809 -12.148 2.323 1.00 0.38 C ATOM 434 CG ARG A 26 16.576 -12.870 3.650 1.00 0.69 C ATOM 435 CD ARG A 26 16.194 -14.327 3.388 1.00 1.00 C ATOM 436 NE ARG A 26 16.035 -15.033 4.690 1.00 1.36 N ATOM 437 CZ ARG A 26 15.446 -16.196 4.736 1.00 1.86 C ATOM 438 NH1 ARG A 26 15.010 -16.748 3.638 1.00 2.36 N ATOM 439 NH2 ARG A 26 15.297 -16.807 5.879 1.00 2.46 N ATOM 0 H ARG A 26 17.251 -10.456 0.504 1.00 0.31 H new ATOM 0 HA ARG A 26 16.945 -10.292 3.404 1.00 0.33 H new ATOM 0 HB2 ARG A 26 15.862 -12.000 1.804 1.00 0.38 H new ATOM 0 HB3 ARG A 26 17.439 -12.753 1.671 1.00 0.38 H new ATOM 0 HG2 ARG A 26 17.477 -12.825 4.262 1.00 0.69 H new ATOM 0 HG3 ARG A 26 15.785 -12.372 4.211 1.00 0.69 H new ATOM 0 HD2 ARG A 26 15.266 -14.375 2.819 1.00 1.00 H new ATOM 0 HD3 ARG A 26 16.962 -14.815 2.788 1.00 1.00 H new ATOM 0 HE ARG A 26 16.387 -14.606 5.547 1.00 1.36 H new ATOM 0 HH11 ARG A 26 15.130 -16.270 2.745 1.00 2.36 H new ATOM 0 HH12 ARG A 26 14.549 -17.657 3.672 1.00 2.36 H new ATOM 0 HH21 ARG A 26 15.641 -16.375 6.737 1.00 2.46 H new ATOM 0 HH22 ARG A 26 14.836 -17.716 5.915 1.00 2.46 H new ATOM 453 N GLN A 27 19.816 -11.119 2.052 1.00 0.31 N ATOM 454 CA GLN A 27 21.258 -11.317 2.367 1.00 0.32 C ATOM 455 C GLN A 27 21.779 -10.121 3.160 1.00 0.31 C ATOM 456 O GLN A 27 22.479 -10.265 4.143 1.00 0.33 O ATOM 457 CB GLN A 27 22.037 -11.397 1.048 1.00 0.33 C ATOM 458 CG GLN A 27 23.457 -11.896 1.329 1.00 0.99 C ATOM 459 CD GLN A 27 24.305 -11.773 0.064 1.00 1.48 C ATOM 460 OE1 GLN A 27 24.478 -12.732 -0.662 1.00 2.02 O ATOM 461 NE2 GLN A 27 24.846 -10.624 -0.233 1.00 2.23 N ATOM 0 H GLN A 27 19.597 -11.066 1.057 1.00 0.31 H new ATOM 0 HA GLN A 27 21.384 -12.229 2.950 1.00 0.32 H new ATOM 0 HB2 GLN A 27 21.533 -12.070 0.355 1.00 0.33 H new ATOM 0 HB3 GLN A 27 22.071 -10.417 0.572 1.00 0.33 H new ATOM 0 HG2 GLN A 27 23.904 -11.315 2.136 1.00 0.99 H new ATOM 0 HG3 GLN A 27 23.429 -12.934 1.661 1.00 0.99 H new ATOM 0 HE21 GLN A 27 24.701 -9.819 0.376 1.00 2.23 H new ATOM 0 HE22 GLN A 27 25.414 -10.530 -1.075 1.00 2.23 H new ATOM 470 N GLN A 28 21.443 -8.936 2.726 1.00 0.30 N ATOM 471 CA GLN A 28 21.915 -7.716 3.434 1.00 0.31 C ATOM 472 C GLN A 28 21.209 -7.610 4.782 1.00 0.30 C ATOM 473 O GLN A 28 21.764 -7.128 5.749 1.00 0.34 O ATOM 474 CB GLN A 28 21.592 -6.482 2.590 1.00 0.33 C ATOM 475 CG GLN A 28 22.281 -5.258 3.195 1.00 1.10 C ATOM 476 CD GLN A 28 22.103 -4.056 2.265 1.00 1.61 C ATOM 477 OE1 GLN A 28 21.431 -4.197 1.156 1.00 2.28 O flip ATOM 478 NE2 GLN A 28 22.582 -2.977 2.552 1.00 2.28 N flip ATOM 0 H GLN A 28 20.859 -8.762 1.908 1.00 0.30 H new ATOM 0 HA GLN A 28 22.992 -7.777 3.591 1.00 0.31 H new ATOM 0 HB2 GLN A 28 21.928 -6.632 1.564 1.00 0.33 H new ATOM 0 HB3 GLN A 28 20.514 -6.325 2.553 1.00 0.33 H new ATOM 0 HG2 GLN A 28 21.858 -5.038 4.175 1.00 1.10 H new ATOM 0 HG3 GLN A 28 23.341 -5.462 3.344 1.00 1.10 H new ATOM 0 HE21 GLN A 28 23.107 -2.867 3.419 1.00 2.28 H new ATOM 0 HE22 GLN A 28 22.459 -2.181 1.926 1.00 2.28 H new ATOM 487 N VAL A 29 19.989 -8.060 4.857 1.00 0.27 N ATOM 488 CA VAL A 29 19.261 -7.983 6.151 1.00 0.28 C ATOM 489 C VAL A 29 19.854 -9.015 7.114 1.00 0.30 C ATOM 490 O VAL A 29 20.193 -8.709 8.240 1.00 0.33 O ATOM 491 CB VAL A 29 17.771 -8.263 5.915 1.00 0.27 C ATOM 492 CG1 VAL A 29 17.064 -8.553 7.251 1.00 0.30 C ATOM 493 CG2 VAL A 29 17.134 -7.041 5.245 1.00 0.27 C ATOM 0 H VAL A 29 19.468 -8.475 4.084 1.00 0.27 H new ATOM 0 HA VAL A 29 19.364 -6.988 6.584 1.00 0.28 H new ATOM 0 HB VAL A 29 17.665 -9.136 5.271 1.00 0.27 H new ATOM 0 HG11 VAL A 29 16.008 -8.750 7.068 1.00 0.30 H new ATOM 0 HG12 VAL A 29 17.519 -9.424 7.722 1.00 0.30 H new ATOM 0 HG13 VAL A 29 17.164 -7.691 7.910 1.00 0.30 H new ATOM 0 HG21 VAL A 29 16.075 -7.231 5.073 1.00 0.27 H new ATOM 0 HG22 VAL A 29 17.246 -6.171 5.892 1.00 0.27 H new ATOM 0 HG23 VAL A 29 17.627 -6.850 4.292 1.00 0.27 H new ATOM 503 N VAL A 30 19.977 -10.235 6.678 1.00 0.31 N ATOM 504 CA VAL A 30 20.541 -11.294 7.557 1.00 0.35 C ATOM 505 C VAL A 30 22.016 -11.016 7.830 1.00 0.37 C ATOM 506 O VAL A 30 22.487 -11.142 8.943 1.00 0.42 O ATOM 507 CB VAL A 30 20.415 -12.635 6.846 1.00 0.35 C ATOM 508 CG1 VAL A 30 21.062 -13.734 7.687 1.00 0.40 C ATOM 509 CG2 VAL A 30 18.938 -12.953 6.633 1.00 0.35 C ATOM 0 H VAL A 30 19.709 -10.546 5.744 1.00 0.31 H new ATOM 0 HA VAL A 30 19.998 -11.309 8.502 1.00 0.35 H new ATOM 0 HB VAL A 30 20.922 -12.583 5.882 1.00 0.35 H new ATOM 0 HG11 VAL A 30 20.968 -14.690 7.172 1.00 0.40 H new ATOM 0 HG12 VAL A 30 22.117 -13.505 7.836 1.00 0.40 H new ATOM 0 HG13 VAL A 30 20.564 -13.793 8.655 1.00 0.40 H new ATOM 0 HG21 VAL A 30 18.842 -13.912 6.124 1.00 0.35 H new ATOM 0 HG22 VAL A 30 18.434 -13.002 7.598 1.00 0.35 H new ATOM 0 HG23 VAL A 30 18.482 -12.172 6.024 1.00 0.35 H new ATOM 519 N SER A 31 22.754 -10.657 6.820 1.00 0.36 N ATOM 520 CA SER A 31 24.205 -10.396 7.027 1.00 0.39 C ATOM 521 C SER A 31 24.390 -9.435 8.203 1.00 0.42 C ATOM 522 O SER A 31 25.368 -9.504 8.921 1.00 0.47 O ATOM 523 CB SER A 31 24.816 -9.791 5.761 1.00 0.38 C ATOM 524 OG SER A 31 26.160 -9.411 6.024 1.00 1.36 O ATOM 0 H SER A 31 22.419 -10.533 5.865 1.00 0.36 H new ATOM 0 HA SER A 31 24.709 -11.337 7.246 1.00 0.39 H new ATOM 0 HB2 SER A 31 24.783 -10.514 4.946 1.00 0.38 H new ATOM 0 HB3 SER A 31 24.237 -8.925 5.442 1.00 0.38 H new ATOM 0 HG SER A 31 26.555 -9.024 5.215 1.00 1.36 H new ATOM 530 N GLU A 32 23.462 -8.539 8.413 1.00 0.42 N ATOM 531 CA GLU A 32 23.599 -7.584 9.549 1.00 0.47 C ATOM 532 C GLU A 32 23.113 -8.247 10.840 1.00 0.49 C ATOM 533 O GLU A 32 23.312 -7.729 11.921 1.00 0.54 O ATOM 534 CB GLU A 32 22.766 -6.334 9.274 1.00 0.48 C ATOM 535 CG GLU A 32 23.322 -5.609 8.047 1.00 0.79 C ATOM 536 CD GLU A 32 24.629 -4.907 8.419 1.00 1.50 C ATOM 537 OE1 GLU A 32 24.564 -3.901 9.105 1.00 2.22 O ATOM 538 OE2 GLU A 32 25.674 -5.389 8.013 1.00 2.23 O ATOM 0 H GLU A 32 22.619 -8.428 7.849 1.00 0.42 H new ATOM 0 HA GLU A 32 24.647 -7.304 9.657 1.00 0.47 H new ATOM 0 HB2 GLU A 32 21.724 -6.608 9.107 1.00 0.48 H new ATOM 0 HB3 GLU A 32 22.786 -5.673 10.140 1.00 0.48 H new ATOM 0 HG2 GLU A 32 23.496 -6.320 7.239 1.00 0.79 H new ATOM 0 HG3 GLU A 32 22.597 -4.882 7.682 1.00 0.79 H new ATOM 545 N GLY A 33 22.478 -9.392 10.735 1.00 0.47 N ATOM 546 CA GLY A 33 21.972 -10.106 11.954 1.00 0.50 C ATOM 547 C GLY A 33 20.471 -10.368 11.805 1.00 0.50 C ATOM 548 O GLY A 33 19.885 -11.117 12.561 1.00 0.66 O ATOM 0 H GLY A 33 22.287 -9.866 9.852 1.00 0.47 H new ATOM 0 HA2 GLY A 33 22.505 -11.048 12.085 1.00 0.50 H new ATOM 0 HA3 GLY A 33 22.161 -9.506 12.844 1.00 0.50 H new ATOM 552 N GLY A 34 19.846 -9.753 10.833 1.00 0.43 N ATOM 553 CA GLY A 34 18.378 -9.950 10.623 1.00 0.43 C ATOM 554 C GLY A 34 17.604 -8.765 11.254 1.00 0.43 C ATOM 555 O GLY A 34 17.674 -7.673 10.725 1.00 0.41 O ATOM 0 H GLY A 34 20.292 -9.118 10.171 1.00 0.43 H new ATOM 0 HA2 GLY A 34 18.158 -10.017 9.558 1.00 0.43 H new ATOM 0 HA3 GLY A 34 18.058 -10.889 11.074 1.00 0.43 H new ATOM 559 N PRO A 35 16.888 -8.973 12.355 1.00 0.47 N ATOM 560 CA PRO A 35 16.139 -7.866 12.990 1.00 0.51 C ATOM 561 C PRO A 35 17.089 -6.714 13.354 1.00 0.52 C ATOM 562 O PRO A 35 16.728 -5.555 13.290 1.00 0.64 O ATOM 563 CB PRO A 35 15.503 -8.484 14.261 1.00 0.57 C ATOM 564 CG PRO A 35 15.913 -9.982 14.310 1.00 0.58 C ATOM 565 CD PRO A 35 16.759 -10.277 13.050 1.00 0.52 C ATOM 0 HA PRO A 35 15.384 -7.446 12.326 1.00 0.51 H new ATOM 0 HB2 PRO A 35 15.848 -7.963 15.154 1.00 0.57 H new ATOM 0 HB3 PRO A 35 14.418 -8.385 14.233 1.00 0.57 H new ATOM 0 HG2 PRO A 35 16.485 -10.193 15.213 1.00 0.58 H new ATOM 0 HG3 PRO A 35 15.030 -10.620 14.336 1.00 0.58 H new ATOM 0 HD2 PRO A 35 17.736 -10.679 13.317 1.00 0.52 H new ATOM 0 HD3 PRO A 35 16.273 -11.016 12.413 1.00 0.52 H new ATOM 573 N THR A 36 18.294 -7.027 13.746 1.00 0.50 N ATOM 574 CA THR A 36 19.259 -5.956 14.126 1.00 0.50 C ATOM 575 C THR A 36 19.765 -5.239 12.873 1.00 0.48 C ATOM 576 O THR A 36 20.694 -4.458 12.930 1.00 0.48 O ATOM 577 CB THR A 36 20.443 -6.580 14.867 1.00 0.51 C ATOM 578 OG1 THR A 36 21.202 -7.368 13.960 1.00 0.69 O ATOM 579 CG2 THR A 36 19.930 -7.463 16.005 1.00 0.80 C ATOM 0 H THR A 36 18.652 -7.979 13.820 1.00 0.50 H new ATOM 0 HA THR A 36 18.758 -5.235 14.772 1.00 0.50 H new ATOM 0 HB THR A 36 21.071 -5.790 15.280 1.00 0.51 H new ATOM 0 HG1 THR A 36 21.858 -6.801 13.503 1.00 0.69 H new ATOM 0 HG21 THR A 36 20.776 -7.906 16.531 1.00 0.80 H new ATOM 0 HG22 THR A 36 19.347 -6.859 16.700 1.00 0.80 H new ATOM 0 HG23 THR A 36 19.302 -8.254 15.597 1.00 0.80 H new ATOM 587 N ALA A 37 19.168 -5.494 11.742 1.00 0.48 N ATOM 588 CA ALA A 37 19.629 -4.817 10.498 1.00 0.48 C ATOM 589 C ALA A 37 19.114 -3.378 10.482 1.00 0.55 C ATOM 590 O ALA A 37 18.165 -3.041 11.162 1.00 1.10 O ATOM 591 CB ALA A 37 19.104 -5.568 9.275 1.00 0.42 C ATOM 0 H ALA A 37 18.386 -6.138 11.625 1.00 0.48 H new ATOM 0 HA ALA A 37 20.719 -4.812 10.471 1.00 0.48 H new ATOM 0 HB1 ALA A 37 19.444 -5.069 8.368 1.00 0.42 H new ATOM 0 HB2 ALA A 37 19.479 -6.592 9.288 1.00 0.42 H new ATOM 0 HB3 ALA A 37 18.014 -5.580 9.296 1.00 0.42 H new ATOM 597 N THR A 38 19.734 -2.524 9.715 1.00 0.45 N ATOM 598 CA THR A 38 19.282 -1.106 9.661 1.00 0.46 C ATOM 599 C THR A 38 17.815 -1.050 9.231 1.00 0.40 C ATOM 600 O THR A 38 17.255 -2.022 8.766 1.00 0.36 O ATOM 601 CB THR A 38 20.136 -0.335 8.651 1.00 0.48 C ATOM 602 OG1 THR A 38 20.020 -0.946 7.374 1.00 0.66 O ATOM 603 CG2 THR A 38 21.598 -0.352 9.098 1.00 0.66 C ATOM 0 H THR A 38 20.534 -2.747 9.123 1.00 0.45 H new ATOM 0 HA THR A 38 19.389 -0.656 10.648 1.00 0.46 H new ATOM 0 HB THR A 38 19.790 0.697 8.593 1.00 0.48 H new ATOM 0 HG1 THR A 38 20.564 -0.453 6.725 1.00 0.66 H new ATOM 0 HG21 THR A 38 22.205 0.197 8.378 1.00 0.66 H new ATOM 0 HG22 THR A 38 21.684 0.117 10.078 1.00 0.66 H new ATOM 0 HG23 THR A 38 21.949 -1.382 9.157 1.00 0.66 H new ATOM 611 N ILE A 39 17.191 0.083 9.385 1.00 0.47 N ATOM 612 CA ILE A 39 15.761 0.210 8.987 1.00 0.45 C ATOM 613 C ILE A 39 15.654 0.181 7.458 1.00 0.40 C ATOM 614 O ILE A 39 14.771 -0.440 6.899 1.00 0.38 O ATOM 615 CB ILE A 39 15.207 1.536 9.528 1.00 0.55 C ATOM 616 CG1 ILE A 39 15.015 1.426 11.048 1.00 0.73 C ATOM 617 CG2 ILE A 39 13.862 1.854 8.864 1.00 0.53 C ATOM 618 CD1 ILE A 39 14.868 2.826 11.655 1.00 0.73 C ATOM 0 H ILE A 39 17.610 0.929 9.770 1.00 0.47 H new ATOM 0 HA ILE A 39 15.184 -0.618 9.399 1.00 0.45 H new ATOM 0 HB ILE A 39 15.912 2.336 9.303 1.00 0.55 H new ATOM 0 HG12 ILE A 39 14.131 0.829 11.270 1.00 0.73 H new ATOM 0 HG13 ILE A 39 15.866 0.913 11.495 1.00 0.73 H new ATOM 0 HG21 ILE A 39 13.477 2.796 9.254 1.00 0.53 H new ATOM 0 HG22 ILE A 39 13.999 1.937 7.786 1.00 0.53 H new ATOM 0 HG23 ILE A 39 13.152 1.055 9.079 1.00 0.53 H new ATOM 0 HD11 ILE A 39 14.732 2.743 12.733 1.00 0.73 H new ATOM 0 HD12 ILE A 39 15.765 3.409 11.446 1.00 0.73 H new ATOM 0 HD13 ILE A 39 14.002 3.323 11.218 1.00 0.73 H new ATOM 630 N GLN A 40 16.544 0.848 6.780 1.00 0.42 N ATOM 631 CA GLN A 40 16.492 0.863 5.291 1.00 0.43 C ATOM 632 C GLN A 40 16.580 -0.569 4.761 1.00 0.35 C ATOM 633 O GLN A 40 16.091 -0.878 3.693 1.00 0.37 O ATOM 634 CB GLN A 40 17.665 1.679 4.745 1.00 0.53 C ATOM 635 CG GLN A 40 17.628 3.088 5.337 1.00 1.38 C ATOM 636 CD GLN A 40 18.669 3.962 4.638 1.00 1.91 C ATOM 637 OE1 GLN A 40 18.369 4.621 3.662 1.00 2.54 O ATOM 638 NE2 GLN A 40 19.890 3.996 5.098 1.00 2.43 N ATOM 0 H GLN A 40 17.307 1.385 7.193 1.00 0.42 H new ATOM 0 HA GLN A 40 15.554 1.314 4.968 1.00 0.43 H new ATOM 0 HB2 GLN A 40 18.608 1.193 4.996 1.00 0.53 H new ATOM 0 HB3 GLN A 40 17.612 1.729 3.657 1.00 0.53 H new ATOM 0 HG2 GLN A 40 16.634 3.519 5.215 1.00 1.38 H new ATOM 0 HG3 GLN A 40 17.830 3.050 6.408 1.00 1.38 H new ATOM 0 HE21 GLN A 40 20.142 3.443 5.917 1.00 2.43 H new ATOM 0 HE22 GLN A 40 20.592 4.576 4.638 1.00 2.43 H new ATOM 647 N SER A 41 17.207 -1.443 5.497 1.00 0.31 N ATOM 648 CA SER A 41 17.334 -2.853 5.032 1.00 0.28 C ATOM 649 C SER A 41 15.977 -3.547 5.138 1.00 0.24 C ATOM 650 O SER A 41 15.531 -4.205 4.220 1.00 0.25 O ATOM 651 CB SER A 41 18.353 -3.589 5.902 1.00 0.29 C ATOM 652 OG SER A 41 17.760 -3.905 7.155 1.00 1.32 O ATOM 0 H SER A 41 17.637 -1.243 6.400 1.00 0.31 H new ATOM 0 HA SER A 41 17.669 -2.865 3.995 1.00 0.28 H new ATOM 0 HB2 SER A 41 18.684 -4.500 5.403 1.00 0.29 H new ATOM 0 HB3 SER A 41 19.237 -2.968 6.051 1.00 0.29 H new ATOM 0 HG SER A 41 17.842 -3.137 7.759 1.00 1.32 H new ATOM 658 N ARG A 42 15.315 -3.402 6.250 1.00 0.22 N ATOM 659 CA ARG A 42 13.987 -4.050 6.410 1.00 0.21 C ATOM 660 C ARG A 42 12.969 -3.324 5.528 1.00 0.20 C ATOM 661 O ARG A 42 12.094 -3.931 4.942 1.00 0.20 O ATOM 662 CB ARG A 42 13.556 -3.970 7.877 1.00 0.24 C ATOM 663 CG ARG A 42 14.657 -4.562 8.762 1.00 0.52 C ATOM 664 CD ARG A 42 14.229 -4.496 10.230 1.00 0.82 C ATOM 665 NE ARG A 42 13.201 -5.541 10.494 1.00 1.50 N ATOM 666 CZ ARG A 42 12.907 -5.871 11.721 1.00 1.92 C ATOM 667 NH1 ARG A 42 13.513 -5.286 12.718 1.00 1.83 N ATOM 668 NH2 ARG A 42 12.006 -6.786 11.952 1.00 2.91 N ATOM 0 H ARG A 42 15.636 -2.863 7.054 1.00 0.22 H new ATOM 0 HA ARG A 42 14.045 -5.097 6.112 1.00 0.21 H new ATOM 0 HB2 ARG A 42 13.367 -2.933 8.156 1.00 0.24 H new ATOM 0 HB3 ARG A 42 12.623 -4.515 8.024 1.00 0.24 H new ATOM 0 HG2 ARG A 42 14.851 -5.596 8.476 1.00 0.52 H new ATOM 0 HG3 ARG A 42 15.587 -4.012 8.619 1.00 0.52 H new ATOM 0 HD2 ARG A 42 15.092 -4.647 10.879 1.00 0.82 H new ATOM 0 HD3 ARG A 42 13.827 -3.509 10.459 1.00 0.82 H new ATOM 0 HE ARG A 42 12.727 -5.998 9.715 1.00 1.50 H new ATOM 0 HH11 ARG A 42 14.217 -4.570 12.538 1.00 1.83 H new ATOM 0 HH12 ARG A 42 13.283 -5.545 13.677 1.00 1.83 H new ATOM 0 HH21 ARG A 42 11.532 -7.243 11.173 1.00 2.91 H new ATOM 0 HH22 ARG A 42 11.776 -7.044 12.912 1.00 2.91 H new ATOM 682 N PHE A 43 13.074 -2.026 5.434 1.00 0.22 N ATOM 683 CA PHE A 43 12.113 -1.256 4.596 1.00 0.24 C ATOM 684 C PHE A 43 12.107 -1.804 3.165 1.00 0.23 C ATOM 685 O PHE A 43 11.062 -2.033 2.589 1.00 0.23 O ATOM 686 CB PHE A 43 12.522 0.219 4.574 1.00 0.28 C ATOM 687 CG PHE A 43 11.387 1.051 4.022 1.00 0.38 C ATOM 688 CD1 PHE A 43 10.267 1.320 4.818 1.00 1.18 C ATOM 689 CD2 PHE A 43 11.453 1.553 2.715 1.00 1.40 C ATOM 690 CE1 PHE A 43 9.213 2.090 4.308 1.00 1.22 C ATOM 691 CE2 PHE A 43 10.399 2.322 2.206 1.00 1.48 C ATOM 692 CZ PHE A 43 9.280 2.590 3.003 1.00 0.70 C ATOM 0 H PHE A 43 13.786 -1.465 5.903 1.00 0.22 H new ATOM 0 HA PHE A 43 11.114 -1.354 5.020 1.00 0.24 H new ATOM 0 HB2 PHE A 43 12.774 0.552 5.581 1.00 0.28 H new ATOM 0 HB3 PHE A 43 13.414 0.351 3.962 1.00 0.28 H new ATOM 0 HD1 PHE A 43 10.215 0.934 5.825 1.00 1.18 H new ATOM 0 HD2 PHE A 43 12.317 1.347 2.100 1.00 1.40 H new ATOM 0 HE1 PHE A 43 8.349 2.297 4.922 1.00 1.22 H new ATOM 0 HE2 PHE A 43 10.450 2.708 1.199 1.00 1.48 H new ATOM 0 HZ PHE A 43 8.468 3.183 2.610 1.00 0.70 H new ATOM 702 N ASN A 44 13.258 -2.013 2.578 1.00 0.24 N ATOM 703 CA ASN A 44 13.297 -2.538 1.183 1.00 0.24 C ATOM 704 C ASN A 44 12.801 -3.984 1.162 1.00 0.22 C ATOM 705 O ASN A 44 12.169 -4.418 0.219 1.00 0.23 O ATOM 706 CB ASN A 44 14.740 -2.484 0.670 1.00 0.25 C ATOM 707 CG ASN A 44 14.761 -2.709 -0.843 1.00 0.95 C ATOM 708 OD1 ASN A 44 13.868 -3.321 -1.393 1.00 1.73 O ATOM 709 ND2 ASN A 44 15.756 -2.234 -1.545 1.00 1.67 N ATOM 0 H ASN A 44 14.169 -1.843 3.004 1.00 0.24 H new ATOM 0 HA ASN A 44 12.655 -1.931 0.545 1.00 0.24 H new ATOM 0 HB2 ASN A 44 15.185 -1.518 0.909 1.00 0.25 H new ATOM 0 HB3 ASN A 44 15.341 -3.244 1.168 1.00 0.25 H new ATOM 0 HD21 ASN A 44 15.782 -2.377 -2.555 1.00 1.67 H new ATOM 0 HD22 ASN A 44 16.506 -1.720 -1.083 1.00 1.67 H new ATOM 716 N TYR A 45 13.081 -4.735 2.191 1.00 0.21 N ATOM 717 CA TYR A 45 12.623 -6.152 2.221 1.00 0.20 C ATOM 718 C TYR A 45 11.096 -6.195 2.111 1.00 0.21 C ATOM 719 O TYR A 45 10.533 -7.087 1.509 1.00 0.22 O ATOM 720 CB TYR A 45 13.066 -6.804 3.534 1.00 0.20 C ATOM 721 CG TYR A 45 12.743 -8.283 3.505 1.00 0.21 C ATOM 722 CD1 TYR A 45 13.374 -9.120 2.574 1.00 1.12 C ATOM 723 CD2 TYR A 45 11.814 -8.819 4.408 1.00 1.33 C ATOM 724 CE1 TYR A 45 13.076 -10.488 2.546 1.00 1.05 C ATOM 725 CE2 TYR A 45 11.518 -10.188 4.378 1.00 1.43 C ATOM 726 CZ TYR A 45 12.148 -11.021 3.448 1.00 0.43 C ATOM 727 OH TYR A 45 11.854 -12.369 3.419 1.00 0.57 O ATOM 0 H TYR A 45 13.606 -4.430 3.011 1.00 0.21 H new ATOM 0 HA TYR A 45 13.061 -6.696 1.384 1.00 0.20 H new ATOM 0 HB2 TYR A 45 14.136 -6.659 3.680 1.00 0.20 H new ATOM 0 HB3 TYR A 45 12.562 -6.328 4.375 1.00 0.20 H new ATOM 0 HD1 TYR A 45 14.090 -8.709 1.878 1.00 1.12 H new ATOM 0 HD2 TYR A 45 11.327 -8.177 5.127 1.00 1.33 H new ATOM 0 HE1 TYR A 45 13.562 -11.132 1.828 1.00 1.05 H new ATOM 0 HE2 TYR A 45 10.802 -10.601 5.074 1.00 1.43 H new ATOM 0 HH TYR A 45 11.192 -12.574 4.111 1.00 0.57 H new ATOM 737 N ALA A 46 10.423 -5.233 2.683 1.00 0.22 N ATOM 738 CA ALA A 46 8.934 -5.215 2.606 1.00 0.24 C ATOM 739 C ALA A 46 8.502 -4.794 1.202 1.00 0.25 C ATOM 740 O ALA A 46 7.455 -5.180 0.722 1.00 0.28 O ATOM 741 CB ALA A 46 8.380 -4.220 3.629 1.00 0.26 C ATOM 0 H ALA A 46 10.840 -4.459 3.200 1.00 0.22 H new ATOM 0 HA ALA A 46 8.548 -6.211 2.823 1.00 0.24 H new ATOM 0 HB1 ALA A 46 7.292 -4.208 3.572 1.00 0.26 H new ATOM 0 HB2 ALA A 46 8.687 -4.519 4.631 1.00 0.26 H new ATOM 0 HB3 ALA A 46 8.766 -3.224 3.413 1.00 0.26 H new ATOM 747 N TRP A 47 9.299 -4.003 0.540 1.00 0.26 N ATOM 748 CA TRP A 47 8.929 -3.557 -0.830 1.00 0.29 C ATOM 749 C TRP A 47 8.858 -4.768 -1.765 1.00 0.29 C ATOM 750 O TRP A 47 7.908 -4.931 -2.505 1.00 0.29 O ATOM 751 CB TRP A 47 9.977 -2.560 -1.336 1.00 0.33 C ATOM 752 CG TRP A 47 9.655 -2.130 -2.735 1.00 0.34 C ATOM 753 CD1 TRP A 47 10.453 -2.339 -3.807 1.00 0.38 C ATOM 754 CD2 TRP A 47 8.480 -1.417 -3.233 1.00 0.35 C ATOM 755 NE1 TRP A 47 9.847 -1.804 -4.929 1.00 0.40 N ATOM 756 CE2 TRP A 47 8.629 -1.227 -4.628 1.00 0.38 C ATOM 757 CE3 TRP A 47 7.312 -0.922 -2.620 1.00 0.36 C ATOM 758 CZ2 TRP A 47 7.657 -0.574 -5.387 1.00 0.42 C ATOM 759 CZ3 TRP A 47 6.333 -0.264 -3.382 1.00 0.42 C ATOM 760 CH2 TRP A 47 6.505 -0.090 -4.763 1.00 0.44 C ATOM 0 H TRP A 47 10.189 -3.647 0.888 1.00 0.26 H new ATOM 0 HA TRP A 47 7.953 -3.072 -0.808 1.00 0.29 H new ATOM 0 HB2 TRP A 47 10.008 -1.691 -0.679 1.00 0.33 H new ATOM 0 HB3 TRP A 47 10.966 -3.017 -1.307 1.00 0.33 H new ATOM 0 HD1 TRP A 47 11.408 -2.842 -3.789 1.00 0.38 H new ATOM 0 HE1 TRP A 47 10.251 -1.832 -5.865 1.00 0.40 H new ATOM 0 HE3 TRP A 47 7.169 -1.049 -1.557 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 7.795 -0.444 -6.450 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 5.441 0.111 -2.901 1.00 0.42 H new ATOM 0 HH2 TRP A 47 5.748 0.417 -5.343 1.00 0.44 H new ATOM 771 N GLY A 48 9.854 -5.615 -1.755 1.00 0.29 N ATOM 772 CA GLY A 48 9.829 -6.796 -2.660 1.00 0.30 C ATOM 773 C GLY A 48 8.678 -7.723 -2.275 1.00 0.27 C ATOM 774 O GLY A 48 8.061 -8.343 -3.118 1.00 0.29 O ATOM 0 H GLY A 48 10.680 -5.538 -1.161 1.00 0.29 H new ATOM 0 HA2 GLY A 48 9.715 -6.470 -3.694 1.00 0.30 H new ATOM 0 HA3 GLY A 48 10.776 -7.333 -2.598 1.00 0.30 H new ATOM 778 N LEU A 49 8.381 -7.826 -1.011 1.00 0.25 N ATOM 779 CA LEU A 49 7.270 -8.721 -0.585 1.00 0.24 C ATOM 780 C LEU A 49 5.943 -8.193 -1.131 1.00 0.24 C ATOM 781 O LEU A 49 5.036 -8.951 -1.411 1.00 0.29 O ATOM 782 CB LEU A 49 7.212 -8.774 0.947 1.00 0.23 C ATOM 783 CG LEU A 49 8.420 -9.558 1.495 1.00 0.23 C ATOM 784 CD1 LEU A 49 8.625 -9.227 2.987 1.00 0.24 C ATOM 785 CD2 LEU A 49 8.189 -11.075 1.343 1.00 0.26 C ATOM 0 H LEU A 49 8.857 -7.331 -0.257 1.00 0.25 H new ATOM 0 HA LEU A 49 7.445 -9.723 -0.976 1.00 0.24 H new ATOM 0 HB2 LEU A 49 7.210 -7.763 1.354 1.00 0.23 H new ATOM 0 HB3 LEU A 49 6.285 -9.249 1.268 1.00 0.23 H new ATOM 0 HG LEU A 49 9.305 -9.270 0.928 1.00 0.23 H new ATOM 0 HD11 LEU A 49 9.480 -9.784 3.369 1.00 0.24 H new ATOM 0 HD12 LEU A 49 8.808 -8.158 3.101 1.00 0.24 H new ATOM 0 HD13 LEU A 49 7.732 -9.504 3.547 1.00 0.24 H new ATOM 0 HD21 LEU A 49 9.051 -11.615 1.735 1.00 0.26 H new ATOM 0 HD22 LEU A 49 7.297 -11.365 1.898 1.00 0.26 H new ATOM 0 HD23 LEU A 49 8.056 -11.319 0.289 1.00 0.26 H new ATOM 797 N ILE A 50 5.810 -6.903 -1.284 1.00 0.24 N ATOM 798 CA ILE A 50 4.528 -6.356 -1.809 1.00 0.26 C ATOM 799 C ILE A 50 4.464 -6.540 -3.327 1.00 0.27 C ATOM 800 O ILE A 50 3.394 -6.651 -3.891 1.00 0.29 O ATOM 801 CB ILE A 50 4.404 -4.868 -1.461 1.00 0.28 C ATOM 802 CG1 ILE A 50 4.227 -4.717 0.051 1.00 0.32 C ATOM 803 CG2 ILE A 50 3.180 -4.274 -2.167 1.00 0.32 C ATOM 804 CD1 ILE A 50 4.394 -3.248 0.441 1.00 0.73 C ATOM 0 H ILE A 50 6.527 -6.210 -1.070 1.00 0.24 H new ATOM 0 HA ILE A 50 3.702 -6.897 -1.347 1.00 0.26 H new ATOM 0 HB ILE A 50 5.304 -4.345 -1.786 1.00 0.28 H new ATOM 0 HG12 ILE A 50 3.241 -5.074 0.350 1.00 0.32 H new ATOM 0 HG13 ILE A 50 4.960 -5.329 0.576 1.00 0.32 H new ATOM 0 HG21 ILE A 50 3.094 -3.216 -1.918 1.00 0.32 H new ATOM 0 HG22 ILE A 50 3.293 -4.385 -3.245 1.00 0.32 H new ATOM 0 HG23 ILE A 50 2.282 -4.798 -1.840 1.00 0.32 H new ATOM 0 HD11 ILE A 50 4.268 -3.141 1.518 1.00 0.73 H new ATOM 0 HD12 ILE A 50 5.389 -2.907 0.157 1.00 0.73 H new ATOM 0 HD13 ILE A 50 3.644 -2.647 -0.074 1.00 0.73 H new ATOM 816 N LYS A 51 5.583 -6.573 -4.009 1.00 0.28 N ATOM 817 CA LYS A 51 5.539 -6.748 -5.487 1.00 0.31 C ATOM 818 C LYS A 51 5.143 -8.188 -5.819 1.00 0.31 C ATOM 819 O LYS A 51 4.791 -8.502 -6.940 1.00 0.36 O ATOM 820 CB LYS A 51 6.937 -6.454 -6.064 1.00 0.37 C ATOM 821 CG LYS A 51 7.122 -4.938 -6.258 1.00 0.72 C ATOM 822 CD LYS A 51 8.615 -4.584 -6.234 1.00 0.79 C ATOM 823 CE LYS A 51 9.334 -5.296 -7.380 1.00 0.87 C ATOM 824 NZ LYS A 51 8.668 -4.963 -8.671 1.00 1.58 N ATOM 0 H LYS A 51 6.516 -6.487 -3.607 1.00 0.28 H new ATOM 0 HA LYS A 51 4.808 -6.065 -5.920 1.00 0.31 H new ATOM 0 HB2 LYS A 51 7.704 -6.839 -5.392 1.00 0.37 H new ATOM 0 HB3 LYS A 51 7.061 -6.968 -7.017 1.00 0.37 H new ATOM 0 HG2 LYS A 51 6.682 -4.628 -7.206 1.00 0.72 H new ATOM 0 HG3 LYS A 51 6.599 -4.396 -5.471 1.00 0.72 H new ATOM 0 HD2 LYS A 51 8.744 -3.506 -6.326 1.00 0.79 H new ATOM 0 HD3 LYS A 51 9.053 -4.877 -5.280 1.00 0.79 H new ATOM 0 HE2 LYS A 51 10.381 -4.993 -7.410 1.00 0.87 H new ATOM 0 HE3 LYS A 51 9.319 -6.374 -7.219 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 9.389 -4.737 -9.385 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 8.106 -5.777 -8.992 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 8.043 -4.142 -8.538 1.00 1.58 H new ATOM 838 N SER A 52 5.206 -9.067 -4.861 1.00 0.32 N ATOM 839 CA SER A 52 4.840 -10.483 -5.130 1.00 0.34 C ATOM 840 C SER A 52 3.375 -10.564 -5.558 1.00 0.35 C ATOM 841 O SER A 52 2.582 -9.687 -5.277 1.00 0.36 O ATOM 842 CB SER A 52 5.044 -11.311 -3.864 1.00 0.36 C ATOM 843 OG SER A 52 6.294 -10.976 -3.277 1.00 1.14 O ATOM 0 H SER A 52 5.495 -8.866 -3.904 1.00 0.32 H new ATOM 0 HA SER A 52 5.472 -10.873 -5.928 1.00 0.34 H new ATOM 0 HB2 SER A 52 4.236 -11.121 -3.158 1.00 0.36 H new ATOM 0 HB3 SER A 52 5.015 -12.374 -4.103 1.00 0.36 H new ATOM 0 HG SER A 52 6.152 -10.337 -2.548 1.00 1.14 H new ATOM 849 N THR A 53 3.015 -11.615 -6.240 1.00 0.38 N ATOM 850 CA THR A 53 1.603 -11.766 -6.695 1.00 0.41 C ATOM 851 C THR A 53 0.767 -12.404 -5.584 1.00 0.40 C ATOM 852 O THR A 53 -0.422 -12.175 -5.483 1.00 0.52 O ATOM 853 CB THR A 53 1.563 -12.650 -7.942 1.00 0.46 C ATOM 854 OG1 THR A 53 2.284 -13.849 -7.696 1.00 0.51 O ATOM 855 CG2 THR A 53 2.196 -11.900 -9.114 1.00 0.49 C ATOM 0 H THR A 53 3.638 -12.378 -6.503 1.00 0.38 H new ATOM 0 HA THR A 53 1.192 -10.785 -6.932 1.00 0.41 H new ATOM 0 HB THR A 53 0.529 -12.895 -8.184 1.00 0.46 H new ATOM 0 HG1 THR A 53 2.257 -14.417 -8.494 1.00 0.51 H new ATOM 0 HG21 THR A 53 2.169 -12.528 -10.005 1.00 0.49 H new ATOM 0 HG22 THR A 53 1.640 -10.981 -9.301 1.00 0.49 H new ATOM 0 HG23 THR A 53 3.231 -11.656 -8.873 1.00 0.49 H new ATOM 863 N ASP A 54 1.373 -13.202 -4.744 1.00 0.39 N ATOM 864 CA ASP A 54 0.594 -13.843 -3.645 1.00 0.38 C ATOM 865 C ASP A 54 0.336 -12.824 -2.530 1.00 0.37 C ATOM 866 O ASP A 54 1.113 -11.925 -2.281 1.00 0.36 O ATOM 867 CB ASP A 54 1.352 -15.062 -3.105 1.00 0.38 C ATOM 868 CG ASP A 54 0.411 -15.937 -2.275 1.00 1.31 C ATOM 869 OD1 ASP A 54 0.073 -15.530 -1.176 1.00 2.18 O ATOM 870 OD2 ASP A 54 0.049 -17.000 -2.751 1.00 1.86 O ATOM 0 H ASP A 54 2.365 -13.436 -4.771 1.00 0.39 H new ATOM 0 HA ASP A 54 -0.366 -14.182 -4.033 1.00 0.38 H new ATOM 0 HB2 ASP A 54 1.764 -15.640 -3.932 1.00 0.38 H new ATOM 0 HB3 ASP A 54 2.193 -14.736 -2.493 1.00 0.38 H new ATOM 875 N VAL A 55 -0.781 -12.981 -1.867 1.00 0.37 N ATOM 876 CA VAL A 55 -1.179 -12.063 -0.759 1.00 0.37 C ATOM 877 C VAL A 55 -0.452 -12.447 0.530 1.00 0.35 C ATOM 878 O VAL A 55 -0.400 -11.688 1.478 1.00 0.35 O ATOM 879 CB VAL A 55 -2.699 -12.143 -0.559 1.00 0.39 C ATOM 880 CG1 VAL A 55 -3.072 -13.431 0.183 1.00 0.42 C ATOM 881 CG2 VAL A 55 -3.177 -10.932 0.249 1.00 0.40 C ATOM 0 H VAL A 55 -1.451 -13.727 -2.053 1.00 0.37 H new ATOM 0 HA VAL A 55 -0.903 -11.040 -1.016 1.00 0.37 H new ATOM 0 HB VAL A 55 -3.181 -12.145 -1.537 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -4.153 -13.473 0.317 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -2.744 -14.293 -0.398 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -2.584 -13.444 1.158 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -4.256 -10.991 0.389 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -2.684 -10.926 1.221 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -2.931 -10.016 -0.288 1.00 0.40 H new ATOM 891 N ASN A 56 0.123 -13.608 0.562 1.00 0.34 N ATOM 892 CA ASN A 56 0.865 -14.033 1.781 1.00 0.34 C ATOM 893 C ASN A 56 1.995 -13.034 2.041 1.00 0.31 C ATOM 894 O ASN A 56 2.183 -12.552 3.143 1.00 0.31 O ATOM 895 CB ASN A 56 1.455 -15.426 1.555 1.00 0.36 C ATOM 896 CG ASN A 56 2.337 -15.802 2.747 1.00 1.34 C ATOM 897 OD1 ASN A 56 3.518 -15.520 2.755 1.00 2.14 O ATOM 898 ND2 ASN A 56 1.809 -16.432 3.760 1.00 2.11 N ATOM 0 H ASN A 56 0.114 -14.285 -0.201 1.00 0.34 H new ATOM 0 HA ASN A 56 0.192 -14.063 2.638 1.00 0.34 H new ATOM 0 HB2 ASN A 56 0.655 -16.157 1.435 1.00 0.36 H new ATOM 0 HB3 ASN A 56 2.041 -15.441 0.636 1.00 0.36 H new ATOM 0 HD21 ASN A 56 2.388 -16.688 4.560 1.00 2.11 H new ATOM 0 HD22 ASN A 56 0.817 -16.669 3.753 1.00 2.11 H new ATOM 905 N ASP A 57 2.746 -12.720 1.025 1.00 0.30 N ATOM 906 CA ASP A 57 3.869 -11.758 1.189 1.00 0.30 C ATOM 907 C ASP A 57 3.321 -10.340 1.389 1.00 0.29 C ATOM 908 O ASP A 57 3.906 -9.536 2.087 1.00 0.28 O ATOM 909 CB ASP A 57 4.738 -11.798 -0.068 1.00 0.33 C ATOM 910 CG ASP A 57 5.344 -13.193 -0.231 1.00 0.42 C ATOM 911 OD1 ASP A 57 4.685 -14.039 -0.814 1.00 1.09 O ATOM 912 OD2 ASP A 57 6.456 -13.393 0.228 1.00 1.23 O ATOM 0 H ASP A 57 2.630 -13.091 0.082 1.00 0.30 H new ATOM 0 HA ASP A 57 4.461 -12.032 2.062 1.00 0.30 H new ATOM 0 HB2 ASP A 57 4.140 -11.546 -0.944 1.00 0.33 H new ATOM 0 HB3 ASP A 57 5.530 -11.053 0.002 1.00 0.33 H new ATOM 917 N GLU A 58 2.208 -10.021 0.781 1.00 0.33 N ATOM 918 CA GLU A 58 1.641 -8.649 0.945 1.00 0.36 C ATOM 919 C GLU A 58 1.298 -8.408 2.416 1.00 0.34 C ATOM 920 O GLU A 58 1.520 -7.339 2.949 1.00 0.34 O ATOM 921 CB GLU A 58 0.369 -8.507 0.103 1.00 0.42 C ATOM 922 CG GLU A 58 0.715 -8.640 -1.383 1.00 0.92 C ATOM 923 CD GLU A 58 -0.571 -8.612 -2.212 1.00 1.66 C ATOM 924 OE1 GLU A 58 -1.591 -8.212 -1.675 1.00 2.21 O ATOM 925 OE2 GLU A 58 -0.514 -8.991 -3.371 1.00 2.45 O ATOM 0 H GLU A 58 1.670 -10.647 0.182 1.00 0.33 H new ATOM 0 HA GLU A 58 2.379 -7.918 0.614 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -0.354 -9.271 0.388 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -0.098 -7.540 0.292 1.00 0.42 H new ATOM 0 HG2 GLU A 58 1.374 -7.827 -1.688 1.00 0.92 H new ATOM 0 HG3 GLU A 58 1.254 -9.571 -1.560 1.00 0.92 H new ATOM 932 N ARG A 59 0.758 -9.395 3.077 1.00 0.33 N ATOM 933 CA ARG A 59 0.399 -9.228 4.514 1.00 0.34 C ATOM 934 C ARG A 59 1.674 -9.172 5.354 1.00 0.30 C ATOM 935 O ARG A 59 1.693 -8.606 6.430 1.00 0.31 O ATOM 936 CB ARG A 59 -0.459 -10.412 4.974 1.00 0.40 C ATOM 937 CG ARG A 59 -1.902 -10.224 4.505 1.00 0.68 C ATOM 938 CD ARG A 59 -2.723 -11.444 4.924 1.00 0.95 C ATOM 939 NE ARG A 59 -4.172 -11.165 4.735 1.00 1.62 N ATOM 940 CZ ARG A 59 -5.026 -12.150 4.745 1.00 2.13 C ATOM 941 NH1 ARG A 59 -4.605 -13.373 4.924 1.00 2.23 N ATOM 942 NH2 ARG A 59 -6.299 -11.916 4.578 1.00 3.12 N ATOM 0 H ARG A 59 0.549 -10.312 2.683 1.00 0.33 H new ATOM 0 HA ARG A 59 -0.164 -8.303 4.639 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -0.056 -11.342 4.573 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -0.429 -10.494 6.061 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -2.324 -9.318 4.940 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -1.933 -10.102 3.422 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -2.430 -12.311 4.333 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -2.523 -11.687 5.968 1.00 0.95 H new ATOM 0 HE ARG A 59 -4.496 -10.207 4.598 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -3.610 -13.556 5.056 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -5.271 -14.146 4.932 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -6.628 -10.961 4.439 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -6.965 -12.689 4.586 1.00 3.12 H new ATOM 956 N LEU A 60 2.744 -9.739 4.873 1.00 0.28 N ATOM 957 CA LEU A 60 4.009 -9.694 5.655 1.00 0.27 C ATOM 958 C LEU A 60 4.628 -8.303 5.501 1.00 0.25 C ATOM 959 O LEU A 60 5.091 -7.708 6.455 1.00 0.26 O ATOM 960 CB LEU A 60 4.971 -10.767 5.128 1.00 0.29 C ATOM 961 CG LEU A 60 6.322 -10.685 5.855 1.00 0.30 C ATOM 962 CD1 LEU A 60 6.121 -10.842 7.371 1.00 0.32 C ATOM 963 CD2 LEU A 60 7.232 -11.805 5.339 1.00 0.34 C ATOM 0 H LEU A 60 2.798 -10.228 3.979 1.00 0.28 H new ATOM 0 HA LEU A 60 3.812 -9.889 6.709 1.00 0.27 H new ATOM 0 HB2 LEU A 60 4.535 -11.756 5.270 1.00 0.29 H new ATOM 0 HB3 LEU A 60 5.120 -10.635 4.056 1.00 0.29 H new ATOM 0 HG LEU A 60 6.778 -9.714 5.662 1.00 0.30 H new ATOM 0 HD11 LEU A 60 7.086 -10.782 7.874 1.00 0.32 H new ATOM 0 HD12 LEU A 60 5.471 -10.047 7.736 1.00 0.32 H new ATOM 0 HD13 LEU A 60 5.663 -11.809 7.579 1.00 0.32 H new ATOM 0 HD21 LEU A 60 8.194 -11.756 5.849 1.00 0.34 H new ATOM 0 HD22 LEU A 60 6.767 -12.771 5.535 1.00 0.34 H new ATOM 0 HD23 LEU A 60 7.383 -11.686 4.266 1.00 0.34 H new ATOM 975 N GLY A 61 4.642 -7.780 4.304 1.00 0.22 N ATOM 976 CA GLY A 61 5.231 -6.428 4.079 1.00 0.21 C ATOM 977 C GLY A 61 4.468 -5.381 4.897 1.00 0.20 C ATOM 978 O GLY A 61 5.048 -4.449 5.417 1.00 0.21 O ATOM 0 H GLY A 61 4.269 -8.233 3.469 1.00 0.22 H new ATOM 0 HA2 GLY A 61 6.283 -6.429 4.364 1.00 0.21 H new ATOM 0 HA3 GLY A 61 5.188 -6.175 3.020 1.00 0.21 H new ATOM 982 N VAL A 62 3.175 -5.521 5.015 1.00 0.20 N ATOM 983 CA VAL A 62 2.390 -4.525 5.800 1.00 0.21 C ATOM 984 C VAL A 62 2.842 -4.587 7.265 1.00 0.22 C ATOM 985 O VAL A 62 3.026 -3.576 7.913 1.00 0.25 O ATOM 986 CB VAL A 62 0.878 -4.849 5.666 1.00 0.23 C ATOM 987 CG1 VAL A 62 0.118 -4.522 6.963 1.00 0.28 C ATOM 988 CG2 VAL A 62 0.271 -4.031 4.516 1.00 0.31 C ATOM 0 H VAL A 62 2.630 -6.279 4.604 1.00 0.20 H new ATOM 0 HA VAL A 62 2.559 -3.516 5.424 1.00 0.21 H new ATOM 0 HB VAL A 62 0.783 -5.916 5.464 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -0.938 -4.760 6.836 1.00 0.28 H new ATOM 0 HG12 VAL A 62 0.527 -5.112 7.783 1.00 0.28 H new ATOM 0 HG13 VAL A 62 0.226 -3.461 7.190 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -0.790 -4.262 4.426 1.00 0.31 H new ATOM 0 HG22 VAL A 62 0.395 -2.968 4.721 1.00 0.31 H new ATOM 0 HG23 VAL A 62 0.777 -4.282 3.584 1.00 0.31 H new ATOM 998 N LYS A 63 3.012 -5.767 7.789 1.00 0.24 N ATOM 999 CA LYS A 63 3.439 -5.900 9.209 1.00 0.28 C ATOM 1000 C LYS A 63 4.808 -5.239 9.405 1.00 0.26 C ATOM 1001 O LYS A 63 5.038 -4.551 10.380 1.00 0.29 O ATOM 1002 CB LYS A 63 3.516 -7.384 9.565 1.00 0.33 C ATOM 1003 CG LYS A 63 3.569 -7.548 11.085 1.00 0.47 C ATOM 1004 CD LYS A 63 3.881 -9.009 11.433 1.00 0.58 C ATOM 1005 CE LYS A 63 2.825 -9.941 10.816 1.00 1.60 C ATOM 1006 NZ LYS A 63 3.246 -10.325 9.439 1.00 2.36 N ATOM 0 H LYS A 63 2.873 -6.648 7.294 1.00 0.24 H new ATOM 0 HA LYS A 63 2.718 -5.405 9.860 1.00 0.28 H new ATOM 0 HB2 LYS A 63 2.650 -7.910 9.163 1.00 0.33 H new ATOM 0 HB3 LYS A 63 4.400 -7.831 9.110 1.00 0.33 H new ATOM 0 HG2 LYS A 63 4.332 -6.892 11.505 1.00 0.47 H new ATOM 0 HG3 LYS A 63 2.617 -7.254 11.526 1.00 0.47 H new ATOM 0 HD2 LYS A 63 4.871 -9.275 11.063 1.00 0.58 H new ATOM 0 HD3 LYS A 63 3.900 -9.136 12.515 1.00 0.58 H new ATOM 0 HE2 LYS A 63 2.705 -10.832 11.433 1.00 1.60 H new ATOM 0 HE3 LYS A 63 1.857 -9.442 10.786 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 2.562 -9.953 8.750 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 4.187 -9.929 9.241 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 3.284 -11.362 9.364 1.00 2.36 H new ATOM 1020 N ILE A 64 5.717 -5.434 8.488 1.00 0.25 N ATOM 1021 CA ILE A 64 7.062 -4.805 8.629 1.00 0.25 C ATOM 1022 C ILE A 64 6.909 -3.282 8.540 1.00 0.22 C ATOM 1023 O ILE A 64 7.425 -2.546 9.358 1.00 0.22 O ATOM 1024 CB ILE A 64 7.979 -5.317 7.503 1.00 0.28 C ATOM 1025 CG1 ILE A 64 8.450 -6.740 7.835 1.00 0.33 C ATOM 1026 CG2 ILE A 64 9.203 -4.403 7.351 1.00 0.32 C ATOM 1027 CD1 ILE A 64 8.993 -7.411 6.570 1.00 0.35 C ATOM 0 H ILE A 64 5.587 -6.000 7.649 1.00 0.25 H new ATOM 0 HA ILE A 64 7.504 -5.065 9.591 1.00 0.25 H new ATOM 0 HB ILE A 64 7.419 -5.318 6.568 1.00 0.28 H new ATOM 0 HG12 ILE A 64 9.224 -6.708 8.602 1.00 0.33 H new ATOM 0 HG13 ILE A 64 7.623 -7.322 8.241 1.00 0.33 H new ATOM 0 HG21 ILE A 64 9.841 -4.779 6.551 1.00 0.32 H new ATOM 0 HG22 ILE A 64 8.875 -3.392 7.109 1.00 0.32 H new ATOM 0 HG23 ILE A 64 9.764 -4.388 8.285 1.00 0.32 H new ATOM 0 HD11 ILE A 64 9.327 -8.421 6.808 1.00 0.35 H new ATOM 0 HD12 ILE A 64 8.207 -7.457 5.816 1.00 0.35 H new ATOM 0 HD13 ILE A 64 9.833 -6.833 6.183 1.00 0.35 H new ATOM 1039 N LEU A 65 6.204 -2.807 7.551 1.00 0.20 N ATOM 1040 CA LEU A 65 6.015 -1.337 7.402 1.00 0.19 C ATOM 1041 C LEU A 65 5.328 -0.776 8.650 1.00 0.19 C ATOM 1042 O LEU A 65 5.507 0.376 8.998 1.00 0.20 O ATOM 1043 CB LEU A 65 5.151 -1.039 6.170 1.00 0.22 C ATOM 1044 CG LEU A 65 5.924 -1.381 4.879 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.931 -1.621 3.737 1.00 0.69 C ATOM 1046 CD2 LEU A 65 6.857 -0.224 4.486 1.00 0.42 C ATOM 0 H LEU A 65 5.749 -3.376 6.837 1.00 0.20 H new ATOM 0 HA LEU A 65 6.991 -0.867 7.279 1.00 0.19 H new ATOM 0 HB2 LEU A 65 4.229 -1.619 6.215 1.00 0.22 H new ATOM 0 HB3 LEU A 65 4.865 0.013 6.163 1.00 0.22 H new ATOM 0 HG LEU A 65 6.518 -2.277 5.059 1.00 0.29 H new ATOM 0 HD11 LEU A 65 5.477 -1.863 2.825 1.00 0.69 H new ATOM 0 HD12 LEU A 65 4.272 -2.450 3.996 1.00 0.69 H new ATOM 0 HD13 LEU A 65 4.337 -0.722 3.577 1.00 0.69 H new ATOM 0 HD21 LEU A 65 7.394 -0.483 3.573 1.00 0.42 H new ATOM 0 HD22 LEU A 65 6.268 0.677 4.317 1.00 0.42 H new ATOM 0 HD23 LEU A 65 7.572 -0.044 5.289 1.00 0.42 H new ATOM 1058 N THR A 66 4.551 -1.576 9.337 1.00 0.21 N ATOM 1059 CA THR A 66 3.869 -1.089 10.565 1.00 0.25 C ATOM 1060 C THR A 66 4.831 -1.173 11.749 1.00 0.28 C ATOM 1061 O THR A 66 4.722 -0.432 12.708 1.00 0.31 O ATOM 1062 CB THR A 66 2.649 -1.967 10.840 1.00 0.29 C ATOM 1063 OG1 THR A 66 1.707 -1.802 9.791 1.00 0.43 O ATOM 1064 CG2 THR A 66 2.015 -1.560 12.167 1.00 0.36 C ATOM 0 H THR A 66 4.362 -2.549 9.095 1.00 0.21 H new ATOM 0 HA THR A 66 3.556 -0.054 10.426 1.00 0.25 H new ATOM 0 HB THR A 66 2.955 -3.012 10.894 1.00 0.29 H new ATOM 0 HG1 THR A 66 1.978 -2.342 9.020 1.00 0.43 H new ATOM 0 HG21 THR A 66 1.145 -2.187 12.362 1.00 0.36 H new ATOM 0 HG22 THR A 66 2.741 -1.686 12.971 1.00 0.36 H new ATOM 0 HG23 THR A 66 1.706 -0.516 12.118 1.00 0.36 H new ATOM 1072 N ASP A 67 5.785 -2.059 11.681 1.00 0.29 N ATOM 1073 CA ASP A 67 6.766 -2.173 12.791 1.00 0.34 C ATOM 1074 C ASP A 67 7.748 -1.012 12.662 1.00 0.32 C ATOM 1075 O ASP A 67 8.061 -0.329 13.618 1.00 0.35 O ATOM 1076 CB ASP A 67 7.505 -3.509 12.690 1.00 0.40 C ATOM 1077 CG ASP A 67 6.508 -4.657 12.872 1.00 1.30 C ATOM 1078 OD1 ASP A 67 5.696 -4.573 13.780 1.00 2.12 O ATOM 1079 OD2 ASP A 67 6.570 -5.599 12.099 1.00 1.94 O ATOM 0 H ASP A 67 5.926 -2.707 10.906 1.00 0.29 H new ATOM 0 HA ASP A 67 6.264 -2.135 13.758 1.00 0.34 H new ATOM 0 HB2 ASP A 67 7.999 -3.592 11.722 1.00 0.40 H new ATOM 0 HB3 ASP A 67 8.284 -3.565 13.451 1.00 0.40 H new ATOM 1084 N ILE A 68 8.220 -0.780 11.468 1.00 0.30 N ATOM 1085 CA ILE A 68 9.168 0.339 11.219 1.00 0.29 C ATOM 1086 C ILE A 68 8.450 1.670 11.465 1.00 0.27 C ATOM 1087 O ILE A 68 9.054 2.660 11.827 1.00 0.31 O ATOM 1088 CB ILE A 68 9.631 0.259 9.762 1.00 0.30 C ATOM 1089 CG1 ILE A 68 10.319 -1.090 9.524 1.00 0.34 C ATOM 1090 CG2 ILE A 68 10.611 1.395 9.459 1.00 0.33 C ATOM 1091 CD1 ILE A 68 10.518 -1.310 8.024 1.00 0.35 C ATOM 0 H ILE A 68 7.984 -1.329 10.641 1.00 0.30 H new ATOM 0 HA ILE A 68 10.027 0.270 11.886 1.00 0.29 H new ATOM 0 HB ILE A 68 8.767 0.353 9.104 1.00 0.30 H new ATOM 0 HG12 ILE A 68 11.281 -1.114 10.036 1.00 0.34 H new ATOM 0 HG13 ILE A 68 9.716 -1.896 9.943 1.00 0.34 H new ATOM 0 HG21 ILE A 68 10.934 1.329 8.420 1.00 0.33 H new ATOM 0 HG22 ILE A 68 10.120 2.354 9.626 1.00 0.33 H new ATOM 0 HG23 ILE A 68 11.478 1.312 10.115 1.00 0.33 H new ATOM 0 HD11 ILE A 68 11.007 -2.270 7.859 1.00 0.35 H new ATOM 0 HD12 ILE A 68 9.549 -1.306 7.524 1.00 0.35 H new ATOM 0 HD13 ILE A 68 11.139 -0.512 7.618 1.00 0.35 H new ATOM 1103 N TYR A 69 7.159 1.692 11.273 1.00 0.26 N ATOM 1104 CA TYR A 69 6.385 2.948 11.496 1.00 0.26 C ATOM 1105 C TYR A 69 6.469 3.341 12.973 1.00 0.28 C ATOM 1106 O TYR A 69 6.780 4.465 13.315 1.00 0.34 O ATOM 1107 CB TYR A 69 4.918 2.715 11.114 1.00 0.29 C ATOM 1108 CG TYR A 69 4.095 3.936 11.461 1.00 0.27 C ATOM 1109 CD1 TYR A 69 3.651 4.131 12.774 1.00 1.22 C ATOM 1110 CD2 TYR A 69 3.774 4.872 10.468 1.00 1.25 C ATOM 1111 CE1 TYR A 69 2.887 5.259 13.096 1.00 1.23 C ATOM 1112 CE2 TYR A 69 3.009 6.001 10.791 1.00 1.28 C ATOM 1113 CZ TYR A 69 2.567 6.194 12.104 1.00 0.38 C ATOM 1114 OH TYR A 69 1.816 7.308 12.423 1.00 0.47 O ATOM 0 H TYR A 69 6.604 0.891 10.970 1.00 0.26 H new ATOM 0 HA TYR A 69 6.800 3.747 10.882 1.00 0.26 H new ATOM 0 HB2 TYR A 69 4.840 2.504 10.047 1.00 0.29 H new ATOM 0 HB3 TYR A 69 4.530 1.843 11.640 1.00 0.29 H new ATOM 0 HD1 TYR A 69 3.898 3.410 13.540 1.00 1.22 H new ATOM 0 HD2 TYR A 69 4.116 4.723 9.454 1.00 1.25 H new ATOM 0 HE1 TYR A 69 2.544 5.408 14.109 1.00 1.23 H new ATOM 0 HE2 TYR A 69 2.761 6.722 10.026 1.00 1.28 H new ATOM 0 HH TYR A 69 1.685 7.855 11.620 1.00 0.47 H new ATOM 1124 N LYS A 70 6.181 2.418 13.847 1.00 0.31 N ATOM 1125 CA LYS A 70 6.222 2.710 15.309 1.00 0.38 C ATOM 1126 C LYS A 70 7.666 2.802 15.811 1.00 0.38 C ATOM 1127 O LYS A 70 7.920 3.349 16.866 1.00 0.45 O ATOM 1128 CB LYS A 70 5.514 1.594 16.078 1.00 0.50 C ATOM 1129 CG LYS A 70 4.079 1.444 15.575 1.00 0.79 C ATOM 1130 CD LYS A 70 3.385 0.339 16.373 1.00 0.88 C ATOM 1131 CE LYS A 70 1.968 0.133 15.840 1.00 1.50 C ATOM 1132 NZ LYS A 70 1.160 1.359 16.096 1.00 2.26 N ATOM 0 H LYS A 70 5.916 1.462 13.609 1.00 0.31 H new ATOM 0 HA LYS A 70 5.723 3.665 15.474 1.00 0.38 H new ATOM 0 HB2 LYS A 70 6.053 0.655 15.951 1.00 0.50 H new ATOM 0 HB3 LYS A 70 5.513 1.820 17.144 1.00 0.50 H new ATOM 0 HG2 LYS A 70 3.540 2.385 15.688 1.00 0.79 H new ATOM 0 HG3 LYS A 70 4.076 1.200 14.513 1.00 0.79 H new ATOM 0 HD2 LYS A 70 3.951 -0.589 16.296 1.00 0.88 H new ATOM 0 HD3 LYS A 70 3.352 0.606 17.429 1.00 0.88 H new ATOM 0 HE2 LYS A 70 1.997 -0.080 14.771 1.00 1.50 H new ATOM 0 HE3 LYS A 70 1.507 -0.728 16.324 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 0.149 1.137 15.990 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 1.340 1.698 17.063 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 1.426 2.098 15.415 1.00 2.26 H new ATOM 1146 N GLU A 71 8.615 2.258 15.087 1.00 0.40 N ATOM 1147 CA GLU A 71 10.037 2.301 15.554 1.00 0.52 C ATOM 1148 C GLU A 71 10.793 3.436 14.846 1.00 0.55 C ATOM 1149 O GLU A 71 11.686 4.039 15.409 1.00 1.13 O ATOM 1150 CB GLU A 71 10.696 0.944 15.231 1.00 0.63 C ATOM 1151 CG GLU A 71 11.804 0.633 16.246 1.00 0.99 C ATOM 1152 CD GLU A 71 12.827 1.769 16.256 1.00 1.55 C ATOM 1153 OE1 GLU A 71 13.435 2.003 15.224 1.00 2.27 O ATOM 1154 OE2 GLU A 71 12.988 2.386 17.296 1.00 2.13 O ATOM 0 H GLU A 71 8.467 1.787 14.195 1.00 0.40 H new ATOM 0 HA GLU A 71 10.070 2.486 16.628 1.00 0.52 H new ATOM 0 HB2 GLU A 71 9.945 0.154 15.249 1.00 0.63 H new ATOM 0 HB3 GLU A 71 11.112 0.965 14.224 1.00 0.63 H new ATOM 0 HG2 GLU A 71 11.375 0.508 17.240 1.00 0.99 H new ATOM 0 HG3 GLU A 71 12.292 -0.307 15.989 1.00 0.99 H new ATOM 1161 N ALA A 72 10.458 3.713 13.607 1.00 0.59 N ATOM 1162 CA ALA A 72 11.169 4.794 12.842 1.00 0.57 C ATOM 1163 C ALA A 72 10.243 5.998 12.628 1.00 0.65 C ATOM 1164 O ALA A 72 9.604 6.126 11.603 1.00 1.23 O ATOM 1165 CB ALA A 72 11.587 4.236 11.481 1.00 0.60 C ATOM 0 H ALA A 72 9.720 3.236 13.089 1.00 0.59 H new ATOM 0 HA ALA A 72 12.042 5.119 13.408 1.00 0.57 H new ATOM 0 HB1 ALA A 72 12.105 5.010 10.914 1.00 0.60 H new ATOM 0 HB2 ALA A 72 12.253 3.385 11.626 1.00 0.60 H new ATOM 0 HB3 ALA A 72 10.702 3.915 10.932 1.00 0.60 H new ATOM 1171 N GLU A 73 10.164 6.880 13.589 1.00 0.71 N ATOM 1172 CA GLU A 73 9.278 8.072 13.440 1.00 0.77 C ATOM 1173 C GLU A 73 9.560 8.781 12.108 1.00 0.65 C ATOM 1174 O GLU A 73 9.031 8.397 11.095 1.00 1.06 O ATOM 1175 CB GLU A 73 9.522 9.037 14.600 1.00 1.08 C ATOM 1176 CG GLU A 73 9.094 8.370 15.908 1.00 1.79 C ATOM 1177 CD GLU A 73 9.366 9.315 17.079 1.00 2.15 C ATOM 1178 OE1 GLU A 73 9.971 10.349 16.852 1.00 2.62 O ATOM 1179 OE2 GLU A 73 8.965 8.987 18.184 1.00 2.60 O ATOM 0 H GLU A 73 10.674 6.827 14.470 1.00 0.71 H new ATOM 0 HA GLU A 73 8.238 7.745 13.450 1.00 0.77 H new ATOM 0 HB2 GLU A 73 10.576 9.311 14.645 1.00 1.08 H new ATOM 0 HB3 GLU A 73 8.960 9.958 14.447 1.00 1.08 H new ATOM 0 HG2 GLU A 73 8.034 8.118 15.870 1.00 1.79 H new ATOM 0 HG3 GLU A 73 9.639 7.436 16.047 1.00 1.79 H new ATOM 1186 N SER A 74 10.378 9.817 12.123 1.00 0.75 N ATOM 1187 CA SER A 74 10.712 10.599 10.871 1.00 0.62 C ATOM 1188 C SER A 74 10.418 9.804 9.590 1.00 0.55 C ATOM 1189 O SER A 74 9.816 10.308 8.662 1.00 0.63 O ATOM 1190 CB SER A 74 12.195 10.971 10.889 1.00 0.82 C ATOM 1191 OG SER A 74 12.481 11.711 12.068 1.00 1.55 O ATOM 0 H SER A 74 10.838 10.162 12.965 1.00 0.75 H new ATOM 0 HA SER A 74 10.084 11.490 10.865 1.00 0.62 H new ATOM 0 HB2 SER A 74 12.808 10.070 10.854 1.00 0.82 H new ATOM 0 HB3 SER A 74 12.444 11.561 10.007 1.00 0.82 H new ATOM 0 HG SER A 74 13.432 11.949 12.082 1.00 1.55 H new ATOM 1197 N ARG A 75 10.825 8.566 9.534 1.00 0.48 N ATOM 1198 CA ARG A 75 10.556 7.747 8.318 1.00 0.45 C ATOM 1199 C ARG A 75 9.051 7.483 8.193 1.00 0.42 C ATOM 1200 O ARG A 75 8.628 6.591 7.483 1.00 0.50 O ATOM 1201 CB ARG A 75 11.296 6.411 8.431 1.00 0.52 C ATOM 1202 CG ARG A 75 12.815 6.649 8.469 1.00 0.81 C ATOM 1203 CD ARG A 75 13.359 6.860 7.049 1.00 1.10 C ATOM 1204 NE ARG A 75 14.848 6.841 7.081 1.00 1.49 N ATOM 1205 CZ ARG A 75 15.518 6.715 5.970 1.00 2.08 C ATOM 1206 NH1 ARG A 75 14.881 6.597 4.836 1.00 2.63 N ATOM 1207 NH2 ARG A 75 16.822 6.705 5.990 1.00 2.72 N ATOM 0 H ARG A 75 11.332 8.086 10.277 1.00 0.48 H new ATOM 0 HA ARG A 75 10.903 8.287 7.437 1.00 0.45 H new ATOM 0 HB2 ARG A 75 10.980 5.886 9.333 1.00 0.52 H new ATOM 0 HB3 ARG A 75 11.041 5.773 7.585 1.00 0.52 H new ATOM 0 HG2 ARG A 75 13.038 7.521 9.084 1.00 0.81 H new ATOM 0 HG3 ARG A 75 13.312 5.797 8.933 1.00 0.81 H new ATOM 0 HD2 ARG A 75 12.989 6.078 6.386 1.00 1.10 H new ATOM 0 HD3 ARG A 75 13.005 7.810 6.650 1.00 1.10 H new ATOM 0 HE ARG A 75 15.342 6.926 7.969 1.00 1.49 H new ATOM 0 HH11 ARG A 75 13.861 6.604 4.821 1.00 2.63 H new ATOM 0 HH12 ARG A 75 15.403 6.498 3.965 1.00 2.63 H new ATOM 0 HH21 ARG A 75 17.319 6.796 6.876 1.00 2.72 H new ATOM 0 HH22 ARG A 75 17.345 6.606 5.120 1.00 2.72 H new ATOM 1221 N ARG A 76 8.236 8.248 8.871 1.00 0.41 N ATOM 1222 CA ARG A 76 6.767 8.037 8.787 1.00 0.47 C ATOM 1223 C ARG A 76 6.265 8.532 7.424 1.00 0.43 C ATOM 1224 O ARG A 76 5.402 7.933 6.816 1.00 0.45 O ATOM 1225 CB ARG A 76 6.077 8.833 9.916 1.00 0.57 C ATOM 1226 CG ARG A 76 5.953 7.969 11.179 1.00 1.08 C ATOM 1227 CD ARG A 76 5.344 8.802 12.310 1.00 1.14 C ATOM 1228 NE ARG A 76 5.161 7.942 13.513 1.00 1.76 N ATOM 1229 CZ ARG A 76 4.923 8.485 14.676 1.00 2.01 C ATOM 1230 NH1 ARG A 76 4.835 9.783 14.786 1.00 1.55 N ATOM 1231 NH2 ARG A 76 4.770 7.729 15.728 1.00 3.05 N ATOM 0 H ARG A 76 8.529 9.012 9.480 1.00 0.41 H new ATOM 0 HA ARG A 76 6.535 6.977 8.896 1.00 0.47 H new ATOM 0 HB2 ARG A 76 6.650 9.733 10.138 1.00 0.57 H new ATOM 0 HB3 ARG A 76 5.088 9.157 9.590 1.00 0.57 H new ATOM 0 HG2 ARG A 76 5.329 7.099 10.977 1.00 1.08 H new ATOM 0 HG3 ARG A 76 6.933 7.596 11.475 1.00 1.08 H new ATOM 0 HD2 ARG A 76 5.994 9.645 12.547 1.00 1.14 H new ATOM 0 HD3 ARG A 76 4.386 9.217 11.996 1.00 1.14 H new ATOM 0 HE ARG A 76 5.222 6.927 13.428 1.00 1.76 H new ATOM 0 HH11 ARG A 76 4.952 10.374 13.963 1.00 1.55 H new ATOM 0 HH12 ARG A 76 4.649 10.206 15.695 1.00 1.55 H new ATOM 0 HH21 ARG A 76 4.836 6.715 15.641 1.00 3.05 H new ATOM 0 HH22 ARG A 76 4.584 8.152 16.637 1.00 3.05 H new ATOM 1245 N ARG A 77 6.790 9.629 6.946 1.00 0.40 N ATOM 1246 CA ARG A 77 6.325 10.163 5.633 1.00 0.43 C ATOM 1247 C ARG A 77 6.443 9.064 4.572 1.00 0.39 C ATOM 1248 O ARG A 77 5.501 8.776 3.861 1.00 0.39 O ATOM 1249 CB ARG A 77 7.189 11.376 5.231 1.00 0.48 C ATOM 1250 CG ARG A 77 6.643 12.670 5.861 1.00 1.10 C ATOM 1251 CD ARG A 77 6.975 12.706 7.355 1.00 1.24 C ATOM 1252 NE ARG A 77 8.453 12.734 7.533 1.00 1.80 N ATOM 1253 CZ ARG A 77 8.965 13.068 8.686 1.00 2.30 C ATOM 1254 NH1 ARG A 77 8.182 13.369 9.686 1.00 2.43 N ATOM 1255 NH2 ARG A 77 10.261 13.101 8.839 1.00 3.22 N ATOM 0 H ARG A 77 7.518 10.176 7.406 1.00 0.40 H new ATOM 0 HA ARG A 77 5.285 10.480 5.713 1.00 0.43 H new ATOM 0 HB2 ARG A 77 8.219 11.217 5.551 1.00 0.48 H new ATOM 0 HB3 ARG A 77 7.204 11.473 4.145 1.00 0.48 H new ATOM 0 HG2 ARG A 77 7.076 13.537 5.363 1.00 1.10 H new ATOM 0 HG3 ARG A 77 5.564 12.726 5.718 1.00 1.10 H new ATOM 0 HD2 ARG A 77 6.525 13.585 7.818 1.00 1.24 H new ATOM 0 HD3 ARG A 77 6.554 11.833 7.853 1.00 1.24 H new ATOM 0 HE ARG A 77 9.065 12.492 6.754 1.00 1.80 H new ATOM 0 HH11 ARG A 77 7.169 13.343 9.567 1.00 2.43 H new ATOM 0 HH12 ARG A 77 8.583 13.630 10.587 1.00 2.43 H new ATOM 0 HH21 ARG A 77 10.873 12.866 8.058 1.00 3.22 H new ATOM 0 HH22 ARG A 77 10.662 13.362 9.740 1.00 3.22 H new ATOM 1269 N GLU A 78 7.587 8.449 4.455 1.00 0.36 N ATOM 1270 CA GLU A 78 7.746 7.376 3.436 1.00 0.36 C ATOM 1271 C GLU A 78 6.877 6.175 3.821 1.00 0.30 C ATOM 1272 O GLU A 78 6.335 5.492 2.974 1.00 0.32 O ATOM 1273 CB GLU A 78 9.216 6.949 3.372 1.00 0.40 C ATOM 1274 CG GLU A 78 10.027 8.011 2.625 1.00 0.91 C ATOM 1275 CD GLU A 78 11.490 7.570 2.532 1.00 1.56 C ATOM 1276 OE1 GLU A 78 12.134 7.499 3.566 1.00 2.33 O ATOM 1277 OE2 GLU A 78 11.942 7.311 1.428 1.00 2.13 O ATOM 0 H GLU A 78 8.415 8.642 5.019 1.00 0.36 H new ATOM 0 HA GLU A 78 7.435 7.749 2.460 1.00 0.36 H new ATOM 0 HB2 GLU A 78 9.611 6.817 4.379 1.00 0.40 H new ATOM 0 HB3 GLU A 78 9.304 5.987 2.867 1.00 0.40 H new ATOM 0 HG2 GLU A 78 9.617 8.159 1.626 1.00 0.91 H new ATOM 0 HG3 GLU A 78 9.957 8.967 3.143 1.00 0.91 H new ATOM 1284 N CYS A 79 6.744 5.907 5.092 1.00 0.27 N ATOM 1285 CA CYS A 79 5.918 4.745 5.528 1.00 0.25 C ATOM 1286 C CYS A 79 4.432 5.009 5.257 1.00 0.23 C ATOM 1287 O CYS A 79 3.712 4.130 4.826 1.00 0.24 O ATOM 1288 CB CYS A 79 6.123 4.507 7.024 1.00 0.29 C ATOM 1289 SG CYS A 79 5.465 2.881 7.465 1.00 1.19 S ATOM 0 H CYS A 79 7.172 6.443 5.847 1.00 0.27 H new ATOM 0 HA CYS A 79 6.229 3.865 4.965 1.00 0.25 H new ATOM 0 HB2 CYS A 79 7.183 4.562 7.271 1.00 0.29 H new ATOM 0 HB3 CYS A 79 5.620 5.284 7.600 1.00 0.29 H new ATOM 0 HG CYS A 79 6.235 2.328 8.355 1.00 1.19 H new ATOM 1295 N LEU A 80 3.960 6.201 5.507 1.00 0.23 N ATOM 1296 CA LEU A 80 2.518 6.488 5.260 1.00 0.23 C ATOM 1297 C LEU A 80 2.200 6.216 3.788 1.00 0.21 C ATOM 1298 O LEU A 80 1.160 5.683 3.456 1.00 0.21 O ATOM 1299 CB LEU A 80 2.213 7.953 5.595 1.00 0.26 C ATOM 1300 CG LEU A 80 2.302 8.179 7.116 1.00 0.27 C ATOM 1301 CD1 LEU A 80 2.420 9.679 7.404 1.00 0.34 C ATOM 1302 CD2 LEU A 80 1.051 7.624 7.821 1.00 0.42 C ATOM 0 H LEU A 80 4.506 6.983 5.869 1.00 0.23 H new ATOM 0 HA LEU A 80 1.904 5.847 5.893 1.00 0.23 H new ATOM 0 HB2 LEU A 80 2.918 8.606 5.081 1.00 0.26 H new ATOM 0 HB3 LEU A 80 1.217 8.216 5.238 1.00 0.26 H new ATOM 0 HG LEU A 80 3.181 7.656 7.494 1.00 0.27 H new ATOM 0 HD11 LEU A 80 2.483 9.839 8.480 1.00 0.34 H new ATOM 0 HD12 LEU A 80 3.317 10.072 6.926 1.00 0.34 H new ATOM 0 HD13 LEU A 80 1.544 10.195 7.011 1.00 0.34 H new ATOM 0 HD21 LEU A 80 1.133 7.793 8.895 1.00 0.42 H new ATOM 0 HD22 LEU A 80 0.164 8.131 7.441 1.00 0.42 H new ATOM 0 HD23 LEU A 80 0.969 6.554 7.628 1.00 0.42 H new ATOM 1314 N TYR A 81 3.091 6.571 2.905 1.00 0.22 N ATOM 1315 CA TYR A 81 2.845 6.325 1.456 1.00 0.23 C ATOM 1316 C TYR A 81 2.861 4.816 1.188 1.00 0.22 C ATOM 1317 O TYR A 81 2.002 4.286 0.511 1.00 0.22 O ATOM 1318 CB TYR A 81 3.945 7.007 0.637 1.00 0.26 C ATOM 1319 CG TYR A 81 3.579 6.981 -0.830 1.00 0.30 C ATOM 1320 CD1 TYR A 81 2.582 7.836 -1.318 1.00 1.05 C ATOM 1321 CD2 TYR A 81 4.236 6.104 -1.703 1.00 1.26 C ATOM 1322 CE1 TYR A 81 2.243 7.814 -2.676 1.00 1.04 C ATOM 1323 CE2 TYR A 81 3.896 6.082 -3.061 1.00 1.31 C ATOM 1324 CZ TYR A 81 2.900 6.937 -3.547 1.00 0.46 C ATOM 1325 OH TYR A 81 2.566 6.915 -4.886 1.00 0.55 O ATOM 0 H TYR A 81 3.980 7.021 3.124 1.00 0.22 H new ATOM 0 HA TYR A 81 1.875 6.731 1.171 1.00 0.23 H new ATOM 0 HB2 TYR A 81 4.075 8.036 0.971 1.00 0.26 H new ATOM 0 HB3 TYR A 81 4.896 6.499 0.793 1.00 0.26 H new ATOM 0 HD1 TYR A 81 2.075 8.512 -0.646 1.00 1.05 H new ATOM 0 HD2 TYR A 81 5.005 5.445 -1.328 1.00 1.26 H new ATOM 0 HE1 TYR A 81 1.475 8.474 -3.052 1.00 1.04 H new ATOM 0 HE2 TYR A 81 4.402 5.405 -3.734 1.00 1.31 H new ATOM 0 HH TYR A 81 3.117 6.251 -5.350 1.00 0.55 H new ATOM 1335 N TYR A 82 3.840 4.122 1.708 1.00 0.23 N ATOM 1336 CA TYR A 82 3.928 2.645 1.482 1.00 0.23 C ATOM 1337 C TYR A 82 2.747 1.924 2.152 1.00 0.22 C ATOM 1338 O TYR A 82 2.264 0.926 1.652 1.00 0.24 O ATOM 1339 CB TYR A 82 5.244 2.115 2.080 1.00 0.25 C ATOM 1340 CG TYR A 82 6.379 2.281 1.090 1.00 0.25 C ATOM 1341 CD1 TYR A 82 6.664 3.543 0.556 1.00 1.13 C ATOM 1342 CD2 TYR A 82 7.151 1.171 0.712 1.00 1.30 C ATOM 1343 CE1 TYR A 82 7.717 3.697 -0.355 1.00 1.12 C ATOM 1344 CE2 TYR A 82 8.204 1.327 -0.197 1.00 1.33 C ATOM 1345 CZ TYR A 82 8.487 2.590 -0.730 1.00 0.31 C ATOM 1346 OH TYR A 82 9.526 2.743 -1.625 1.00 0.36 O ATOM 0 H TYR A 82 4.586 4.515 2.282 1.00 0.23 H new ATOM 0 HA TYR A 82 3.897 2.454 0.409 1.00 0.23 H new ATOM 0 HB2 TYR A 82 5.475 2.651 3.000 1.00 0.25 H new ATOM 0 HB3 TYR A 82 5.134 1.063 2.343 1.00 0.25 H new ATOM 0 HD1 TYR A 82 6.072 4.398 0.846 1.00 1.13 H new ATOM 0 HD2 TYR A 82 6.932 0.196 1.123 1.00 1.30 H new ATOM 0 HE1 TYR A 82 7.935 4.671 -0.768 1.00 1.12 H new ATOM 0 HE2 TYR A 82 8.798 0.473 -0.487 1.00 1.33 H new ATOM 0 HH TYR A 82 9.958 1.876 -1.776 1.00 0.36 H new ATOM 1356 N LEU A 83 2.270 2.404 3.270 1.00 0.21 N ATOM 1357 CA LEU A 83 1.127 1.713 3.925 1.00 0.20 C ATOM 1358 C LEU A 83 -0.105 1.883 3.049 1.00 0.20 C ATOM 1359 O LEU A 83 -0.900 0.975 2.906 1.00 0.25 O ATOM 1360 CB LEU A 83 0.870 2.313 5.310 1.00 0.20 C ATOM 1361 CG LEU A 83 1.974 1.874 6.288 1.00 0.22 C ATOM 1362 CD1 LEU A 83 1.931 2.769 7.530 1.00 0.24 C ATOM 1363 CD2 LEU A 83 1.775 0.404 6.711 1.00 0.25 C ATOM 0 H LEU A 83 2.618 3.233 3.751 1.00 0.21 H new ATOM 0 HA LEU A 83 1.356 0.654 4.047 1.00 0.20 H new ATOM 0 HB2 LEU A 83 0.842 3.401 5.245 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -0.104 1.991 5.680 1.00 0.20 H new ATOM 0 HG LEU A 83 2.940 1.966 5.791 1.00 0.22 H new ATOM 0 HD11 LEU A 83 2.711 2.462 8.227 1.00 0.24 H new ATOM 0 HD12 LEU A 83 2.093 3.806 7.237 1.00 0.24 H new ATOM 0 HD13 LEU A 83 0.958 2.676 8.012 1.00 0.24 H new ATOM 0 HD21 LEU A 83 2.566 0.114 7.402 1.00 0.25 H new ATOM 0 HD22 LEU A 83 0.807 0.294 7.200 1.00 0.25 H new ATOM 0 HD23 LEU A 83 1.811 -0.236 5.830 1.00 0.25 H new ATOM 1375 N THR A 84 -0.270 3.025 2.439 1.00 0.19 N ATOM 1376 CA THR A 84 -1.441 3.230 1.555 1.00 0.19 C ATOM 1377 C THR A 84 -1.361 2.237 0.400 1.00 0.22 C ATOM 1378 O THR A 84 -2.341 1.626 0.021 1.00 0.24 O ATOM 1379 CB THR A 84 -1.378 4.660 1.008 1.00 0.20 C ATOM 1380 OG1 THR A 84 -1.280 5.570 2.094 1.00 0.22 O ATOM 1381 CG2 THR A 84 -2.631 4.970 0.189 1.00 0.18 C ATOM 0 H THR A 84 0.360 3.824 2.518 1.00 0.19 H new ATOM 0 HA THR A 84 -2.373 3.078 2.100 1.00 0.19 H new ATOM 0 HB THR A 84 -0.505 4.759 0.362 1.00 0.20 H new ATOM 0 HG1 THR A 84 -0.346 5.633 2.385 1.00 0.22 H new ATOM 0 HG21 THR A 84 -2.573 5.989 -0.193 1.00 0.18 H new ATOM 0 HG22 THR A 84 -2.702 4.273 -0.646 1.00 0.18 H new ATOM 0 HG23 THR A 84 -3.513 4.870 0.821 1.00 0.18 H new ATOM 1389 N ILE A 85 -0.195 2.071 -0.163 1.00 0.23 N ATOM 1390 CA ILE A 85 -0.048 1.117 -1.293 1.00 0.27 C ATOM 1391 C ILE A 85 -0.136 -0.316 -0.763 1.00 0.29 C ATOM 1392 O ILE A 85 -0.863 -1.135 -1.289 1.00 0.31 O ATOM 1393 CB ILE A 85 1.301 1.338 -1.987 1.00 0.29 C ATOM 1394 CG1 ILE A 85 1.304 2.745 -2.616 1.00 0.31 C ATOM 1395 CG2 ILE A 85 1.490 0.258 -3.064 1.00 0.32 C ATOM 1396 CD1 ILE A 85 2.650 3.046 -3.290 1.00 0.61 C ATOM 0 H ILE A 85 0.660 2.555 0.112 1.00 0.23 H new ATOM 0 HA ILE A 85 -0.847 1.283 -2.015 1.00 0.27 H new ATOM 0 HB ILE A 85 2.122 1.266 -1.274 1.00 0.29 H new ATOM 0 HG12 ILE A 85 0.501 2.820 -3.350 1.00 0.31 H new ATOM 0 HG13 ILE A 85 1.104 3.491 -1.847 1.00 0.31 H new ATOM 0 HG21 ILE A 85 2.447 0.406 -3.564 1.00 0.32 H new ATOM 0 HG22 ILE A 85 1.473 -0.727 -2.598 1.00 0.32 H new ATOM 0 HG23 ILE A 85 0.684 0.328 -3.795 1.00 0.32 H new ATOM 0 HD11 ILE A 85 2.624 4.045 -3.725 1.00 0.61 H new ATOM 0 HD12 ILE A 85 3.448 2.994 -2.549 1.00 0.61 H new ATOM 0 HD13 ILE A 85 2.836 2.313 -4.075 1.00 0.61 H new ATOM 1408 N GLY A 86 0.598 -0.629 0.271 1.00 0.30 N ATOM 1409 CA GLY A 86 0.552 -2.009 0.823 1.00 0.33 C ATOM 1410 C GLY A 86 -0.864 -2.334 1.302 1.00 0.33 C ATOM 1411 O GLY A 86 -1.318 -3.455 1.195 1.00 0.39 O ATOM 0 H GLY A 86 1.226 0.012 0.755 1.00 0.30 H new ATOM 0 HA2 GLY A 86 0.860 -2.725 0.061 1.00 0.33 H new ATOM 0 HA3 GLY A 86 1.255 -2.102 1.651 1.00 0.33 H new ATOM 1415 N CYS A 87 -1.570 -1.371 1.832 1.00 0.29 N ATOM 1416 CA CYS A 87 -2.951 -1.652 2.311 1.00 0.30 C ATOM 1417 C CYS A 87 -3.894 -1.744 1.112 1.00 0.35 C ATOM 1418 O CYS A 87 -4.790 -2.565 1.076 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.412 -0.531 3.246 1.00 0.29 C ATOM 1420 SG CYS A 87 -2.459 -0.596 4.782 1.00 1.29 S ATOM 0 H CYS A 87 -1.252 -0.409 1.953 1.00 0.29 H new ATOM 0 HA CYS A 87 -2.962 -2.597 2.855 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -3.279 0.437 2.764 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -4.475 -0.636 3.461 1.00 0.29 H new ATOM 0 HG CYS A 87 -1.322 0.011 4.613 1.00 1.29 H new ATOM 1426 N TYR A 88 -3.704 -0.906 0.130 1.00 0.33 N ATOM 1427 CA TYR A 88 -4.589 -0.943 -1.066 1.00 0.40 C ATOM 1428 C TYR A 88 -4.541 -2.335 -1.704 1.00 0.43 C ATOM 1429 O TYR A 88 -5.514 -2.803 -2.262 1.00 0.52 O ATOM 1430 CB TYR A 88 -4.107 0.102 -2.074 1.00 0.46 C ATOM 1431 CG TYR A 88 -4.926 0.004 -3.336 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -6.150 0.676 -3.427 1.00 1.37 C ATOM 1433 CD2 TYR A 88 -4.461 -0.757 -4.414 1.00 1.24 C ATOM 1434 CE1 TYR A 88 -6.911 0.586 -4.598 1.00 1.37 C ATOM 1435 CE2 TYR A 88 -5.221 -0.847 -5.585 1.00 1.28 C ATOM 1436 CZ TYR A 88 -6.447 -0.176 -5.678 1.00 0.59 C ATOM 1437 OH TYR A 88 -7.196 -0.266 -6.832 1.00 0.66 O ATOM 0 H TYR A 88 -2.972 -0.196 0.105 1.00 0.33 H new ATOM 0 HA TYR A 88 -5.615 -0.724 -0.770 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -4.196 1.101 -1.648 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -3.052 -0.055 -2.300 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -6.507 1.264 -2.594 1.00 1.37 H new ATOM 0 HD2 TYR A 88 -3.516 -1.275 -4.342 1.00 1.24 H new ATOM 0 HE1 TYR A 88 -7.856 1.104 -4.669 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -4.862 -1.434 -6.418 1.00 1.28 H new ATOM 0 HH TYR A 88 -6.729 -0.832 -7.482 1.00 0.66 H new ATOM 1447 N LYS A 89 -3.420 -2.999 -1.630 1.00 0.43 N ATOM 1448 CA LYS A 89 -3.318 -4.358 -2.238 1.00 0.51 C ATOM 1449 C LYS A 89 -4.196 -5.330 -1.451 1.00 0.36 C ATOM 1450 O LYS A 89 -4.649 -6.333 -1.966 1.00 0.37 O ATOM 1451 CB LYS A 89 -1.860 -4.827 -2.195 1.00 0.70 C ATOM 1452 CG LYS A 89 -1.012 -4.004 -3.186 1.00 1.00 C ATOM 1453 CD LYS A 89 -1.070 -4.628 -4.596 1.00 1.24 C ATOM 1454 CE LYS A 89 0.008 -5.709 -4.738 1.00 1.56 C ATOM 1455 NZ LYS A 89 1.353 -5.069 -4.731 1.00 2.05 N ATOM 0 H LYS A 89 -2.571 -2.661 -1.176 1.00 0.43 H new ATOM 0 HA LYS A 89 -3.654 -4.324 -3.274 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -1.464 -4.717 -1.186 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -1.802 -5.886 -2.446 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -1.377 -2.978 -3.221 1.00 1.00 H new ATOM 0 HG3 LYS A 89 0.022 -3.963 -2.842 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -2.055 -5.061 -4.771 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -0.923 -3.855 -5.351 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -0.070 -6.426 -3.921 1.00 1.56 H new ATOM 0 HE3 LYS A 89 -0.138 -6.265 -5.664 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 1.985 -5.597 -4.096 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 1.746 -5.076 -5.694 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 1.269 -4.087 -4.398 1.00 2.05 H new ATOM 1469 N LEU A 90 -4.456 -5.024 -0.209 1.00 0.32 N ATOM 1470 CA LEU A 90 -5.325 -5.898 0.632 1.00 0.47 C ATOM 1471 C LEU A 90 -6.701 -5.235 0.745 1.00 0.56 C ATOM 1472 O LEU A 90 -7.434 -5.484 1.679 1.00 0.89 O ATOM 1473 CB LEU A 90 -4.733 -6.031 2.042 1.00 0.55 C ATOM 1474 CG LEU A 90 -3.252 -6.415 1.972 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -2.670 -6.415 3.390 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -3.106 -7.813 1.356 1.00 0.56 C ATOM 0 H LEU A 90 -4.099 -4.195 0.265 1.00 0.32 H new ATOM 0 HA LEU A 90 -5.399 -6.886 0.178 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -4.845 -5.089 2.579 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -5.284 -6.786 2.604 1.00 0.55 H new ATOM 0 HG LEU A 90 -2.716 -5.696 1.352 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -1.615 -6.687 3.350 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -2.772 -5.421 3.825 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -3.208 -7.137 4.004 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -2.051 -8.081 1.309 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -3.638 -8.539 1.971 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -3.526 -7.813 0.350 1.00 0.56 H new ATOM 1488 N GLY A 91 -7.038 -4.358 -0.173 1.00 0.56 N ATOM 1489 CA GLY A 91 -8.340 -3.623 -0.102 1.00 0.91 C ATOM 1490 C GLY A 91 -8.702 -3.252 1.329 1.00 0.69 C ATOM 1491 O GLY A 91 -9.864 -3.133 1.668 1.00 0.69 O ATOM 0 H GLY A 91 -6.458 -4.119 -0.977 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.281 -2.719 -0.708 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -9.130 -4.241 -0.528 1.00 0.91 H new ATOM 1495 N GLU A 92 -7.734 -3.005 2.161 1.00 0.54 N ATOM 1496 CA GLU A 92 -8.043 -2.560 3.548 1.00 0.42 C ATOM 1497 C GLU A 92 -8.153 -1.023 3.500 1.00 0.34 C ATOM 1498 O GLU A 92 -7.538 -0.308 4.278 1.00 0.39 O ATOM 1499 CB GLU A 92 -6.882 -3.001 4.466 1.00 0.44 C ATOM 1500 CG GLU A 92 -7.267 -4.264 5.244 1.00 0.55 C ATOM 1501 CD GLU A 92 -7.675 -5.375 4.274 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -8.726 -5.254 3.667 1.00 2.18 O ATOM 1503 OE2 GLU A 92 -6.932 -6.332 4.157 1.00 2.06 O ATOM 0 H GLU A 92 -6.741 -3.091 1.943 1.00 0.54 H new ATOM 0 HA GLU A 92 -8.968 -2.990 3.932 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -5.990 -3.191 3.869 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -6.635 -2.199 5.161 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -6.427 -4.594 5.855 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -8.090 -4.045 5.925 1.00 0.55 H new ATOM 1510 N TYR A 93 -8.882 -0.510 2.532 1.00 0.33 N ATOM 1511 CA TYR A 93 -8.974 0.972 2.366 1.00 0.31 C ATOM 1512 C TYR A 93 -9.253 1.697 3.696 1.00 0.25 C ATOM 1513 O TYR A 93 -8.994 2.880 3.796 1.00 0.27 O ATOM 1514 CB TYR A 93 -10.053 1.351 1.337 1.00 0.41 C ATOM 1515 CG TYR A 93 -10.178 0.289 0.268 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -9.299 0.287 -0.819 1.00 1.42 C ATOM 1517 CD2 TYR A 93 -11.192 -0.679 0.351 1.00 1.28 C ATOM 1518 CE1 TYR A 93 -9.428 -0.681 -1.823 1.00 1.57 C ATOM 1519 CE2 TYR A 93 -11.318 -1.648 -0.653 1.00 1.35 C ATOM 1520 CZ TYR A 93 -10.437 -1.649 -1.739 1.00 0.95 C ATOM 1521 OH TYR A 93 -10.563 -2.601 -2.729 1.00 1.19 O ATOM 0 H TYR A 93 -9.414 -1.055 1.854 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.999 1.298 2.003 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -11.011 1.480 1.840 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.803 2.307 0.877 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -8.520 1.032 -0.885 1.00 1.42 H new ATOM 0 HD2 TYR A 93 -11.874 -0.676 1.188 1.00 1.28 H new ATOM 0 HE1 TYR A 93 -8.749 -0.681 -2.663 1.00 1.57 H new ATOM 0 HE2 TYR A 93 -12.096 -2.394 -0.588 1.00 1.35 H new ATOM 0 HH TYR A 93 -11.312 -3.197 -2.517 1.00 1.19 H new ATOM 1531 N SER A 94 -9.720 1.057 4.734 1.00 0.24 N ATOM 1532 CA SER A 94 -9.936 1.816 5.996 1.00 0.28 C ATOM 1533 C SER A 94 -8.589 2.288 6.526 1.00 0.29 C ATOM 1534 O SER A 94 -8.438 3.410 6.962 1.00 0.39 O ATOM 1535 CB SER A 94 -10.583 0.898 7.032 1.00 0.30 C ATOM 1536 OG SER A 94 -9.724 -0.208 7.274 1.00 1.12 O ATOM 0 H SER A 94 -9.956 0.065 4.764 1.00 0.24 H new ATOM 0 HA SER A 94 -10.584 2.672 5.806 1.00 0.28 H new ATOM 0 HB2 SER A 94 -10.763 1.444 7.958 1.00 0.30 H new ATOM 0 HB3 SER A 94 -11.552 0.550 6.673 1.00 0.30 H new ATOM 0 HG SER A 94 -10.133 -0.800 7.939 1.00 1.12 H new ATOM 1542 N MET A 95 -7.609 1.432 6.489 1.00 0.27 N ATOM 1543 CA MET A 95 -6.265 1.817 6.987 1.00 0.36 C ATOM 1544 C MET A 95 -5.602 2.749 5.979 1.00 0.26 C ATOM 1545 O MET A 95 -5.036 3.762 6.334 1.00 0.26 O ATOM 1546 CB MET A 95 -5.416 0.555 7.159 1.00 0.48 C ATOM 1547 CG MET A 95 -6.198 -0.511 7.954 1.00 0.81 C ATOM 1548 SD MET A 95 -5.116 -1.285 9.184 1.00 1.25 S ATOM 1549 CE MET A 95 -4.871 0.171 10.237 1.00 0.83 C ATOM 0 H MET A 95 -7.683 0.479 6.134 1.00 0.27 H new ATOM 0 HA MET A 95 -6.356 2.329 7.945 1.00 0.36 H new ATOM 0 HB2 MET A 95 -5.138 0.159 6.182 1.00 0.48 H new ATOM 0 HB3 MET A 95 -4.490 0.799 7.679 1.00 0.48 H new ATOM 0 HG2 MET A 95 -7.054 -0.052 8.448 1.00 0.81 H new ATOM 0 HG3 MET A 95 -6.590 -1.268 7.275 1.00 0.81 H new ATOM 0 HE1 MET A 95 -4.748 -0.146 11.273 1.00 0.83 H new ATOM 0 HE2 MET A 95 -3.979 0.708 9.914 1.00 0.83 H new ATOM 0 HE3 MET A 95 -5.738 0.827 10.158 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.672 2.417 4.723 1.00 0.23 N ATOM 1560 CA ALA A 96 -5.050 3.291 3.697 1.00 0.20 C ATOM 1561 C ALA A 96 -5.622 4.708 3.841 1.00 0.18 C ATOM 1562 O ALA A 96 -4.907 5.688 3.769 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.363 2.732 2.303 1.00 0.23 C ATOM 0 H ALA A 96 -6.132 1.580 4.364 1.00 0.23 H new ATOM 0 HA ALA A 96 -3.969 3.324 3.831 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.909 3.370 1.545 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -4.960 1.723 2.217 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.443 2.706 2.156 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.912 4.819 4.034 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.546 6.163 4.172 1.00 0.21 C ATOM 1571 C LYS A 97 -6.905 6.958 5.309 1.00 0.21 C ATOM 1572 O LYS A 97 -6.503 8.088 5.124 1.00 0.22 O ATOM 1573 CB LYS A 97 -9.043 6.003 4.464 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.708 7.385 4.555 1.00 0.44 C ATOM 1575 CD LYS A 97 -11.191 7.224 4.893 1.00 0.78 C ATOM 1576 CE LYS A 97 -11.803 8.602 5.160 1.00 1.07 C ATOM 1577 NZ LYS A 97 -13.256 8.453 5.456 1.00 2.10 N ATOM 0 H LYS A 97 -7.556 4.031 4.102 1.00 0.19 H new ATOM 0 HA LYS A 97 -7.399 6.702 3.236 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -9.515 5.414 3.678 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -9.184 5.459 5.398 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -9.215 7.987 5.318 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -9.596 7.916 3.609 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -11.712 6.735 4.070 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -11.309 6.585 5.769 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -11.297 9.080 5.999 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -11.662 9.248 4.294 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -13.671 9.389 5.637 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -13.733 8.014 4.642 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -13.379 7.851 6.295 1.00 2.10 H new ATOM 1591 N ARG A 98 -6.829 6.417 6.491 1.00 0.22 N ATOM 1592 CA ARG A 98 -6.243 7.200 7.615 1.00 0.25 C ATOM 1593 C ARG A 98 -4.787 7.569 7.331 1.00 0.20 C ATOM 1594 O ARG A 98 -4.347 8.655 7.655 1.00 0.21 O ATOM 1595 CB ARG A 98 -6.315 6.361 8.892 1.00 0.33 C ATOM 1596 CG ARG A 98 -7.785 6.090 9.237 1.00 1.18 C ATOM 1597 CD ARG A 98 -7.899 5.437 10.630 1.00 1.28 C ATOM 1598 NE ARG A 98 -9.021 4.441 10.641 1.00 1.90 N ATOM 1599 CZ ARG A 98 -10.194 4.724 10.129 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -10.466 5.927 9.706 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -11.120 3.804 10.087 1.00 3.20 N ATOM 0 H ARG A 98 -7.143 5.476 6.728 1.00 0.22 H new ATOM 0 HA ARG A 98 -6.811 8.123 7.732 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -5.782 5.420 8.753 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -5.827 6.885 9.714 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -8.347 7.023 9.219 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -8.227 5.437 8.485 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -6.962 4.944 10.887 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -8.074 6.202 11.386 1.00 1.28 H new ATOM 0 HE ARG A 98 -8.867 3.522 11.057 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -9.762 6.662 9.771 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -11.383 6.133 9.310 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -10.929 2.871 10.452 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -12.035 4.019 9.690 1.00 3.20 H new ATOM 1615 N TYR A 99 -4.025 6.687 6.750 1.00 0.21 N ATOM 1616 CA TYR A 99 -2.600 7.024 6.482 1.00 0.22 C ATOM 1617 C TYR A 99 -2.506 8.016 5.314 1.00 0.19 C ATOM 1618 O TYR A 99 -1.801 9.002 5.389 1.00 0.21 O ATOM 1619 CB TYR A 99 -1.809 5.745 6.153 1.00 0.27 C ATOM 1620 CG TYR A 99 -1.794 4.790 7.344 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -1.339 5.219 8.606 1.00 1.32 C ATOM 1622 CD2 TYR A 99 -2.221 3.460 7.181 1.00 1.17 C ATOM 1623 CE1 TYR A 99 -1.316 4.328 9.686 1.00 1.34 C ATOM 1624 CE2 TYR A 99 -2.195 2.574 8.269 1.00 1.18 C ATOM 1625 CZ TYR A 99 -1.742 3.008 9.518 1.00 0.40 C ATOM 1626 OH TYR A 99 -1.717 2.132 10.585 1.00 0.47 O ATOM 0 H TYR A 99 -4.322 5.758 6.452 1.00 0.21 H new ATOM 0 HA TYR A 99 -2.172 7.485 7.372 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -2.254 5.249 5.290 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -0.787 6.006 5.878 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -1.007 6.238 8.741 1.00 1.32 H new ATOM 0 HD2 TYR A 99 -2.569 3.120 6.217 1.00 1.17 H new ATOM 0 HE1 TYR A 99 -0.968 4.662 10.652 1.00 1.34 H new ATOM 0 HE2 TYR A 99 -2.526 1.554 8.141 1.00 1.18 H new ATOM 0 HH TYR A 99 -1.850 2.629 11.419 1.00 0.47 H new ATOM 1636 N VAL A 100 -3.194 7.766 4.233 1.00 0.18 N ATOM 1637 CA VAL A 100 -3.112 8.708 3.075 1.00 0.19 C ATOM 1638 C VAL A 100 -3.678 10.081 3.481 1.00 0.21 C ATOM 1639 O VAL A 100 -3.174 11.111 3.081 1.00 0.22 O ATOM 1640 CB VAL A 100 -3.885 8.126 1.869 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -5.377 8.475 1.947 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -3.306 8.688 0.565 1.00 0.20 C ATOM 0 H VAL A 100 -3.804 6.959 4.100 1.00 0.18 H new ATOM 0 HA VAL A 100 -2.070 8.838 2.783 1.00 0.19 H new ATOM 0 HB VAL A 100 -3.779 7.041 1.891 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -5.895 8.053 1.086 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -5.800 8.062 2.863 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -5.498 9.558 1.948 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -3.853 8.276 -0.283 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -3.399 9.774 0.564 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -2.254 8.414 0.486 1.00 0.20 H new ATOM 1652 N ASP A 101 -4.721 10.100 4.269 1.00 0.23 N ATOM 1653 CA ASP A 101 -5.317 11.403 4.694 1.00 0.27 C ATOM 1654 C ASP A 101 -4.278 12.226 5.461 1.00 0.26 C ATOM 1655 O ASP A 101 -4.061 13.391 5.180 1.00 0.29 O ATOM 1656 CB ASP A 101 -6.516 11.142 5.609 1.00 0.30 C ATOM 1657 CG ASP A 101 -7.685 10.598 4.786 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -7.433 10.044 3.729 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -8.812 10.746 5.228 1.00 1.79 O ATOM 0 H ASP A 101 -5.186 9.270 4.637 1.00 0.23 H new ATOM 0 HA ASP A 101 -5.637 11.952 3.808 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -6.243 10.429 6.387 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -6.810 12.064 6.111 1.00 0.30 H new ATOM 1664 N THR A 102 -3.630 11.630 6.422 1.00 0.25 N ATOM 1665 CA THR A 102 -2.606 12.379 7.199 1.00 0.26 C ATOM 1666 C THR A 102 -1.500 12.831 6.250 1.00 0.26 C ATOM 1667 O THR A 102 -1.019 13.945 6.322 1.00 0.27 O ATOM 1668 CB THR A 102 -2.009 11.472 8.278 1.00 0.27 C ATOM 1669 OG1 THR A 102 -3.036 11.059 9.169 1.00 0.32 O ATOM 1670 CG2 THR A 102 -0.935 12.237 9.052 1.00 0.29 C ATOM 0 H THR A 102 -3.765 10.659 6.702 1.00 0.25 H new ATOM 0 HA THR A 102 -3.068 13.244 7.674 1.00 0.26 H new ATOM 0 HB THR A 102 -1.561 10.596 7.810 1.00 0.27 H new ATOM 0 HG1 THR A 102 -3.518 10.298 8.782 1.00 0.32 H new ATOM 0 HG21 THR A 102 -0.510 11.591 9.820 1.00 0.29 H new ATOM 0 HG22 THR A 102 -0.148 12.552 8.367 1.00 0.29 H new ATOM 0 HG23 THR A 102 -1.380 13.114 9.521 1.00 0.29 H new ATOM 1678 N LEU A 103 -1.088 11.970 5.365 1.00 0.25 N ATOM 1679 CA LEU A 103 -0.008 12.343 4.418 1.00 0.27 C ATOM 1680 C LEU A 103 -0.526 13.381 3.419 1.00 0.29 C ATOM 1681 O LEU A 103 0.197 14.276 3.028 1.00 0.31 O ATOM 1682 CB LEU A 103 0.471 11.093 3.669 1.00 0.29 C ATOM 1683 CG LEU A 103 1.655 11.443 2.750 1.00 0.34 C ATOM 1684 CD1 LEU A 103 2.863 11.906 3.585 1.00 0.36 C ATOM 1685 CD2 LEU A 103 2.035 10.202 1.933 1.00 0.41 C ATOM 0 H LEU A 103 -1.454 11.024 5.258 1.00 0.25 H new ATOM 0 HA LEU A 103 0.826 12.772 4.974 1.00 0.27 H new ATOM 0 HB2 LEU A 103 0.770 10.325 4.383 1.00 0.29 H new ATOM 0 HB3 LEU A 103 -0.346 10.679 3.079 1.00 0.29 H new ATOM 0 HG LEU A 103 1.365 12.254 2.082 1.00 0.34 H new ATOM 0 HD11 LEU A 103 3.692 12.150 2.921 1.00 0.36 H new ATOM 0 HD12 LEU A 103 2.589 12.789 4.163 1.00 0.36 H new ATOM 0 HD13 LEU A 103 3.164 11.108 4.263 1.00 0.36 H new ATOM 0 HD21 LEU A 103 2.873 10.440 1.278 1.00 0.41 H new ATOM 0 HD22 LEU A 103 2.319 9.395 2.608 1.00 0.41 H new ATOM 0 HD23 LEU A 103 1.182 9.888 1.331 1.00 0.41 H new ATOM 1697 N PHE A 104 -1.752 13.269 2.971 1.00 0.29 N ATOM 1698 CA PHE A 104 -2.263 14.250 1.972 1.00 0.32 C ATOM 1699 C PHE A 104 -2.022 15.676 2.474 1.00 0.37 C ATOM 1700 O PHE A 104 -1.705 16.565 1.709 1.00 0.41 O ATOM 1701 CB PHE A 104 -3.763 14.000 1.757 1.00 0.33 C ATOM 1702 CG PHE A 104 -4.400 15.151 1.007 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -4.319 15.209 -0.389 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -5.081 16.154 1.711 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -4.916 16.270 -1.082 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -5.680 17.213 1.017 1.00 1.19 C ATOM 1707 CZ PHE A 104 -5.597 17.271 -0.379 1.00 0.60 C ATOM 0 H PHE A 104 -2.414 12.546 3.253 1.00 0.29 H new ATOM 0 HA PHE A 104 -1.737 14.128 1.025 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -3.905 13.074 1.200 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -4.256 13.871 2.720 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -3.796 14.436 -0.932 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -5.144 16.110 2.788 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -4.851 16.316 -2.159 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -6.206 17.985 1.559 1.00 1.19 H new ATOM 0 HZ PHE A 104 -6.058 18.088 -0.914 1.00 0.60 H new ATOM 1717 N GLU A 105 -2.166 15.905 3.752 1.00 0.42 N ATOM 1718 CA GLU A 105 -1.939 17.279 4.283 1.00 0.52 C ATOM 1719 C GLU A 105 -0.582 17.787 3.792 1.00 0.56 C ATOM 1720 O GLU A 105 -0.440 18.939 3.432 1.00 0.61 O ATOM 1721 CB GLU A 105 -1.952 17.255 5.814 1.00 0.58 C ATOM 1722 CG GLU A 105 -3.363 16.940 6.313 1.00 1.20 C ATOM 1723 CD GLU A 105 -3.368 16.916 7.843 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -2.552 16.207 8.408 1.00 2.47 O ATOM 1725 OE2 GLU A 105 -4.189 17.608 8.424 1.00 2.31 O ATOM 0 H GLU A 105 -2.429 15.205 4.446 1.00 0.42 H new ATOM 0 HA GLU A 105 -2.731 17.940 3.931 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -1.250 16.506 6.181 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -1.624 18.218 6.205 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -4.065 17.689 5.948 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -3.692 15.977 5.922 1.00 1.20 H new ATOM 1732 N HIS A 106 0.413 16.937 3.760 1.00 0.57 N ATOM 1733 CA HIS A 106 1.764 17.367 3.275 1.00 0.65 C ATOM 1734 C HIS A 106 1.991 16.814 1.867 1.00 1.07 C ATOM 1735 O HIS A 106 2.913 16.061 1.625 1.00 1.90 O ATOM 1736 CB HIS A 106 2.843 16.825 4.213 1.00 0.88 C ATOM 1737 CG HIS A 106 4.190 17.314 3.755 1.00 1.61 C ATOM 1738 ND1 HIS A 106 4.350 18.520 3.090 1.00 2.41 N ATOM 1739 CD2 HIS A 106 5.447 16.772 3.856 1.00 2.42 C ATOM 1740 CE1 HIS A 106 5.660 18.663 2.818 1.00 3.18 C ATOM 1741 NE2 HIS A 106 6.374 17.625 3.264 1.00 3.21 N ATOM 0 H HIS A 106 0.350 15.961 4.049 1.00 0.57 H new ATOM 0 HA HIS A 106 1.816 18.456 3.257 1.00 0.65 H new ATOM 0 HB2 HIS A 106 2.652 17.154 5.235 1.00 0.88 H new ATOM 0 HB3 HIS A 106 2.822 15.735 4.220 1.00 0.88 H new ATOM 0 HD2 HIS A 106 5.681 15.827 4.324 1.00 2.42 H new ATOM 0 HE1 HIS A 106 6.083 19.513 2.302 1.00 3.18 H new ATOM 0 HE2 HIS A 106 7.382 17.487 3.187 1.00 3.21 H new ATOM 1749 N GLU A 107 1.151 17.181 0.932 1.00 1.47 N ATOM 1750 CA GLU A 107 1.311 16.677 -0.465 1.00 2.05 C ATOM 1751 C GLU A 107 2.177 17.651 -1.269 1.00 1.90 C ATOM 1752 O GLU A 107 2.661 17.318 -2.332 1.00 2.18 O ATOM 1753 CB GLU A 107 -0.072 16.557 -1.129 1.00 2.77 C ATOM 1754 CG GLU A 107 0.086 16.356 -2.644 1.00 3.57 C ATOM 1755 CD GLU A 107 -1.239 15.890 -3.249 1.00 4.22 C ATOM 1756 OE1 GLU A 107 -1.854 15.010 -2.672 1.00 4.64 O ATOM 1757 OE2 GLU A 107 -1.614 16.422 -4.281 1.00 4.69 O ATOM 0 H GLU A 107 0.360 17.809 1.077 1.00 1.47 H new ATOM 0 HA GLU A 107 1.792 15.699 -0.442 1.00 2.05 H new ATOM 0 HB2 GLU A 107 -0.619 15.719 -0.698 1.00 2.77 H new ATOM 0 HB3 GLU A 107 -0.658 17.455 -0.932 1.00 2.77 H new ATOM 0 HG2 GLU A 107 0.401 17.288 -3.112 1.00 3.57 H new ATOM 0 HG3 GLU A 107 0.865 15.620 -2.843 1.00 3.57 H new ATOM 1764 N ARG A 108 2.363 18.853 -0.793 1.00 2.18 N ATOM 1765 CA ARG A 108 3.184 19.821 -1.572 1.00 2.54 C ATOM 1766 C ARG A 108 2.614 19.909 -2.992 1.00 2.14 C ATOM 1767 O ARG A 108 1.712 20.681 -3.253 1.00 2.49 O ATOM 1768 CB ARG A 108 4.647 19.346 -1.609 1.00 3.58 C ATOM 1769 CG ARG A 108 5.536 20.408 -2.294 1.00 4.39 C ATOM 1770 CD ARG A 108 6.971 20.301 -1.766 1.00 5.40 C ATOM 1771 NE ARG A 108 7.873 21.213 -2.547 1.00 5.98 N ATOM 1772 CZ ARG A 108 8.061 21.062 -3.830 1.00 6.94 C ATOM 1773 NH1 ARG A 108 7.574 20.024 -4.455 1.00 7.44 N ATOM 1774 NH2 ARG A 108 8.777 21.934 -4.486 1.00 7.59 N ATOM 0 H ARG A 108 1.988 19.202 0.089 1.00 2.18 H new ATOM 0 HA ARG A 108 3.154 20.805 -1.105 1.00 2.54 H new ATOM 0 HB2 ARG A 108 5.003 19.162 -0.595 1.00 3.58 H new ATOM 0 HB3 ARG A 108 4.717 18.401 -2.147 1.00 3.58 H new ATOM 0 HG2 ARG A 108 5.524 20.264 -3.374 1.00 4.39 H new ATOM 0 HG3 ARG A 108 5.141 21.406 -2.101 1.00 4.39 H new ATOM 0 HD2 ARG A 108 6.999 20.565 -0.709 1.00 5.40 H new ATOM 0 HD3 ARG A 108 7.322 19.272 -1.847 1.00 5.40 H new ATOM 0 HE ARG A 108 8.352 21.971 -2.062 1.00 5.98 H new ATOM 0 HH11 ARG A 108 7.041 19.323 -3.941 1.00 7.44 H new ATOM 0 HH12 ARG A 108 7.726 19.915 -5.458 1.00 7.44 H new ATOM 0 HH21 ARG A 108 9.187 22.729 -3.996 1.00 7.59 H new ATOM 0 HH22 ARG A 108 8.927 21.820 -5.489 1.00 7.59 H new ATOM 1788 N ASN A 109 3.117 19.131 -3.915 1.00 2.11 N ATOM 1789 CA ASN A 109 2.581 19.191 -5.308 1.00 2.18 C ATOM 1790 C ASN A 109 2.867 17.873 -6.035 1.00 1.51 C ATOM 1791 O ASN A 109 3.219 17.864 -7.198 1.00 2.14 O ATOM 1792 CB ASN A 109 3.258 20.338 -6.059 1.00 2.98 C ATOM 1793 CG ASN A 109 4.776 20.224 -5.902 1.00 3.48 C ATOM 1794 OD1 ASN A 109 5.433 21.176 -5.532 1.00 3.96 O ATOM 1795 ND2 ASN A 109 5.366 19.090 -6.170 1.00 3.98 N ATOM 0 H ASN A 109 3.871 18.460 -3.766 1.00 2.11 H new ATOM 0 HA ASN A 109 1.504 19.355 -5.272 1.00 2.18 H new ATOM 0 HB2 ASN A 109 2.987 20.306 -7.114 1.00 2.98 H new ATOM 0 HB3 ASN A 109 2.912 21.296 -5.670 1.00 2.98 H new ATOM 0 HD21 ASN A 109 6.377 19.005 -6.068 1.00 3.98 H new ATOM 0 HD22 ASN A 109 4.815 18.290 -6.481 1.00 3.98 H new ATOM 1802 N ASN A 110 2.725 16.760 -5.363 1.00 1.10 N ATOM 1803 CA ASN A 110 2.996 15.442 -6.020 1.00 1.20 C ATOM 1804 C ASN A 110 1.689 14.826 -6.526 1.00 0.86 C ATOM 1805 O ASN A 110 0.989 14.148 -5.799 1.00 0.83 O ATOM 1806 CB ASN A 110 3.637 14.492 -5.007 1.00 2.17 C ATOM 1807 CG ASN A 110 4.965 15.079 -4.528 1.00 2.97 C ATOM 1808 OD1 ASN A 110 5.938 15.087 -5.256 1.00 3.39 O ATOM 1809 ND2 ASN A 110 5.049 15.574 -3.323 1.00 3.76 N ATOM 0 H ASN A 110 2.433 16.705 -4.387 1.00 1.10 H new ATOM 0 HA ASN A 110 3.669 15.599 -6.863 1.00 1.20 H new ATOM 0 HB2 ASN A 110 2.968 14.340 -4.160 1.00 2.17 H new ATOM 0 HB3 ASN A 110 3.802 13.515 -5.462 1.00 2.17 H new ATOM 0 HD21 ASN A 110 5.931 15.967 -2.993 1.00 3.76 H new ATOM 0 HD22 ASN A 110 4.233 15.568 -2.711 1.00 3.76 H new ATOM 1816 N LYS A 111 1.350 15.059 -7.764 1.00 0.77 N ATOM 1817 CA LYS A 111 0.082 14.489 -8.314 1.00 0.66 C ATOM 1818 C LYS A 111 -0.040 12.978 -8.011 1.00 0.57 C ATOM 1819 O LYS A 111 -1.094 12.401 -8.192 1.00 0.57 O ATOM 1820 CB LYS A 111 0.050 14.691 -9.833 1.00 0.94 C ATOM 1821 CG LYS A 111 0.106 16.185 -10.161 1.00 1.52 C ATOM 1822 CD LYS A 111 -0.064 16.380 -11.669 1.00 1.85 C ATOM 1823 CE LYS A 111 0.173 17.849 -12.024 1.00 2.32 C ATOM 1824 NZ LYS A 111 -0.789 18.702 -11.270 1.00 3.06 N ATOM 0 H LYS A 111 1.894 15.619 -8.420 1.00 0.77 H new ATOM 0 HA LYS A 111 -0.751 15.006 -7.838 1.00 0.66 H new ATOM 0 HB2 LYS A 111 0.893 14.177 -10.295 1.00 0.94 H new ATOM 0 HB3 LYS A 111 -0.858 14.252 -10.248 1.00 0.94 H new ATOM 0 HG2 LYS A 111 -0.679 16.716 -9.623 1.00 1.52 H new ATOM 0 HG3 LYS A 111 1.057 16.605 -9.834 1.00 1.52 H new ATOM 0 HD2 LYS A 111 0.639 15.746 -12.210 1.00 1.85 H new ATOM 0 HD3 LYS A 111 -1.066 16.078 -11.975 1.00 1.85 H new ATOM 0 HE2 LYS A 111 1.197 18.133 -11.780 1.00 2.32 H new ATOM 0 HE3 LYS A 111 0.047 18.000 -13.096 1.00 2.32 H new ATOM 0 HZ1 LYS A 111 -0.847 19.639 -11.717 1.00 3.06 H new ATOM 0 HZ2 LYS A 111 -1.728 18.256 -11.278 1.00 3.06 H new ATOM 0 HZ3 LYS A 111 -0.464 18.807 -10.288 1.00 3.06 H new ATOM 1838 N GLN A 112 1.006 12.320 -7.561 1.00 0.54 N ATOM 1839 CA GLN A 112 0.898 10.861 -7.273 1.00 0.49 C ATOM 1840 C GLN A 112 0.127 10.657 -5.970 1.00 0.39 C ATOM 1841 O GLN A 112 -0.580 9.684 -5.797 1.00 0.37 O ATOM 1842 CB GLN A 112 2.302 10.268 -7.131 1.00 0.54 C ATOM 1843 CG GLN A 112 2.980 10.224 -8.502 1.00 1.05 C ATOM 1844 CD GLN A 112 4.345 9.543 -8.376 1.00 1.82 C ATOM 1845 OE1 GLN A 112 4.530 8.676 -7.544 1.00 2.54 O ATOM 1846 NE2 GLN A 112 5.316 9.900 -9.172 1.00 2.56 N ATOM 0 H GLN A 112 1.922 12.732 -7.383 1.00 0.54 H new ATOM 0 HA GLN A 112 0.372 10.365 -8.089 1.00 0.49 H new ATOM 0 HB2 GLN A 112 2.894 10.869 -6.440 1.00 0.54 H new ATOM 0 HB3 GLN A 112 2.243 9.264 -6.710 1.00 0.54 H new ATOM 0 HG2 GLN A 112 2.355 9.681 -9.211 1.00 1.05 H new ATOM 0 HG3 GLN A 112 3.101 11.235 -8.892 1.00 1.05 H new ATOM 0 HE21 GLN A 112 5.162 10.627 -9.870 1.00 2.56 H new ATOM 0 HE22 GLN A 112 6.229 9.452 -9.096 1.00 2.56 H new ATOM 1855 N VAL A 113 0.255 11.576 -5.057 1.00 0.37 N ATOM 1856 CA VAL A 113 -0.472 11.454 -3.763 1.00 0.32 C ATOM 1857 C VAL A 113 -1.943 11.776 -4.007 1.00 0.32 C ATOM 1858 O VAL A 113 -2.829 11.052 -3.601 1.00 0.30 O ATOM 1859 CB VAL A 113 0.113 12.446 -2.753 1.00 0.35 C ATOM 1860 CG1 VAL A 113 -0.645 12.343 -1.428 1.00 0.41 C ATOM 1861 CG2 VAL A 113 1.592 12.124 -2.517 1.00 0.40 C ATOM 0 H VAL A 113 0.834 12.410 -5.151 1.00 0.37 H new ATOM 0 HA VAL A 113 -0.371 10.444 -3.366 1.00 0.32 H new ATOM 0 HB VAL A 113 0.017 13.458 -3.147 1.00 0.35 H new ATOM 0 HG11 VAL A 113 -0.225 13.050 -0.713 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -1.698 12.574 -1.592 1.00 0.41 H new ATOM 0 HG13 VAL A 113 -0.553 11.331 -1.034 1.00 0.41 H new ATOM 0 HG21 VAL A 113 2.008 12.830 -1.798 1.00 0.40 H new ATOM 0 HG22 VAL A 113 1.686 11.111 -2.126 1.00 0.40 H new ATOM 0 HG23 VAL A 113 2.136 12.202 -3.458 1.00 0.40 H new ATOM 1871 N GLY A 114 -2.205 12.862 -4.681 1.00 0.37 N ATOM 1872 CA GLY A 114 -3.617 13.237 -4.970 1.00 0.40 C ATOM 1873 C GLY A 114 -4.266 12.120 -5.787 1.00 0.38 C ATOM 1874 O GLY A 114 -5.423 11.794 -5.612 1.00 0.38 O ATOM 0 H GLY A 114 -1.502 13.506 -5.044 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -4.164 13.391 -4.040 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -3.653 14.177 -5.521 1.00 0.40 H new ATOM 1878 N ALA A 115 -3.519 11.528 -6.675 1.00 0.38 N ATOM 1879 CA ALA A 115 -4.069 10.424 -7.509 1.00 0.38 C ATOM 1880 C ALA A 115 -4.140 9.140 -6.676 1.00 0.33 C ATOM 1881 O ALA A 115 -5.139 8.436 -6.690 1.00 0.34 O ATOM 1882 CB ALA A 115 -3.166 10.219 -8.726 1.00 0.43 C ATOM 0 H ALA A 115 -2.544 11.763 -6.860 1.00 0.38 H new ATOM 0 HA ALA A 115 -5.074 10.678 -7.848 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -3.563 9.412 -9.342 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -3.130 11.138 -9.311 1.00 0.43 H new ATOM 0 HB3 ALA A 115 -2.160 9.961 -8.394 1.00 0.43 H new ATOM 1888 N LEU A 116 -3.121 8.825 -5.934 1.00 0.31 N ATOM 1889 CA LEU A 116 -3.192 7.592 -5.108 1.00 0.29 C ATOM 1890 C LEU A 116 -4.401 7.706 -4.176 1.00 0.26 C ATOM 1891 O LEU A 116 -5.178 6.782 -4.029 1.00 0.25 O ATOM 1892 CB LEU A 116 -1.908 7.439 -4.283 1.00 0.32 C ATOM 1893 CG LEU A 116 -2.025 6.239 -3.327 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -2.336 4.958 -4.118 1.00 0.49 C ATOM 1895 CD2 LEU A 116 -0.700 6.069 -2.576 1.00 0.68 C ATOM 0 H LEU A 116 -2.254 9.358 -5.863 1.00 0.31 H new ATOM 0 HA LEU A 116 -3.295 6.717 -5.750 1.00 0.29 H new ATOM 0 HB2 LEU A 116 -1.055 7.301 -4.948 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -1.724 8.350 -3.713 1.00 0.32 H new ATOM 0 HG LEU A 116 -2.834 6.419 -2.619 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -2.416 4.116 -3.430 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -3.278 5.080 -4.653 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -1.535 4.768 -4.832 1.00 0.49 H new ATOM 0 HD21 LEU A 116 -0.774 5.220 -1.896 1.00 0.68 H new ATOM 0 HD22 LEU A 116 0.103 5.892 -3.291 1.00 0.68 H new ATOM 0 HD23 LEU A 116 -0.486 6.973 -2.006 1.00 0.68 H new ATOM 1907 N LYS A 117 -4.558 8.833 -3.533 1.00 0.27 N ATOM 1908 CA LYS A 117 -5.705 9.001 -2.599 1.00 0.28 C ATOM 1909 C LYS A 117 -7.014 8.802 -3.366 1.00 0.28 C ATOM 1910 O LYS A 117 -8.010 8.370 -2.819 1.00 0.29 O ATOM 1911 CB LYS A 117 -5.666 10.409 -1.994 1.00 0.33 C ATOM 1912 CG LYS A 117 -6.826 10.592 -1.011 1.00 0.78 C ATOM 1913 CD LYS A 117 -6.657 11.921 -0.268 1.00 0.86 C ATOM 1914 CE LYS A 117 -7.871 12.167 0.631 1.00 1.44 C ATOM 1915 NZ LYS A 117 -9.066 12.455 -0.212 1.00 2.16 N ATOM 0 H LYS A 117 -3.942 9.642 -3.615 1.00 0.27 H new ATOM 0 HA LYS A 117 -5.640 8.264 -1.798 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -4.717 10.567 -1.482 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -5.729 11.155 -2.786 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -7.776 10.580 -1.546 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -6.849 9.766 -0.301 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -5.747 11.901 0.331 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -6.550 12.737 -0.982 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -8.056 11.294 1.256 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -7.676 13.004 1.302 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -9.929 12.338 0.357 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -9.014 13.432 -0.565 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -9.090 11.797 -1.017 1.00 2.16 H new ATOM 1929 N SER A 118 -7.021 9.129 -4.632 1.00 0.29 N ATOM 1930 CA SER A 118 -8.262 8.978 -5.440 1.00 0.31 C ATOM 1931 C SER A 118 -8.653 7.502 -5.544 1.00 0.29 C ATOM 1932 O SER A 118 -9.815 7.178 -5.670 1.00 0.30 O ATOM 1933 CB SER A 118 -8.036 9.544 -6.842 1.00 0.34 C ATOM 1934 OG SER A 118 -7.441 10.831 -6.736 1.00 1.35 O ATOM 0 H SER A 118 -6.216 9.495 -5.141 1.00 0.29 H new ATOM 0 HA SER A 118 -9.067 9.525 -4.949 1.00 0.31 H new ATOM 0 HB2 SER A 118 -7.392 8.878 -7.416 1.00 0.34 H new ATOM 0 HB3 SER A 118 -8.983 9.611 -7.377 1.00 0.34 H new ATOM 0 HG SER A 118 -6.556 10.749 -6.324 1.00 1.35 H new ATOM 1940 N MET A 119 -7.713 6.594 -5.467 1.00 0.26 N ATOM 1941 CA MET A 119 -8.090 5.150 -5.539 1.00 0.25 C ATOM 1942 C MET A 119 -8.735 4.759 -4.205 1.00 0.23 C ATOM 1943 O MET A 119 -9.733 4.067 -4.152 1.00 0.24 O ATOM 1944 CB MET A 119 -6.830 4.301 -5.775 1.00 0.26 C ATOM 1945 CG MET A 119 -6.483 4.286 -7.267 1.00 0.61 C ATOM 1946 SD MET A 119 -6.074 5.969 -7.807 1.00 1.03 S ATOM 1947 CE MET A 119 -4.440 5.621 -8.508 1.00 0.69 C ATOM 0 H MET A 119 -6.717 6.785 -5.359 1.00 0.26 H new ATOM 0 HA MET A 119 -8.788 4.979 -6.359 1.00 0.25 H new ATOM 0 HB2 MET A 119 -5.995 4.706 -5.203 1.00 0.26 H new ATOM 0 HB3 MET A 119 -6.995 3.283 -5.421 1.00 0.26 H new ATOM 0 HG2 MET A 119 -5.640 3.619 -7.449 1.00 0.61 H new ATOM 0 HG3 MET A 119 -7.324 3.902 -7.844 1.00 0.61 H new ATOM 0 HE1 MET A 119 -4.009 6.542 -8.901 1.00 0.69 H new ATOM 0 HE2 MET A 119 -3.789 5.219 -7.732 1.00 0.69 H new ATOM 0 HE3 MET A 119 -4.537 4.893 -9.313 1.00 0.69 H new ATOM 1957 N VAL A 120 -8.168 5.229 -3.132 1.00 0.21 N ATOM 1958 CA VAL A 120 -8.711 4.942 -1.775 1.00 0.20 C ATOM 1959 C VAL A 120 -10.070 5.629 -1.587 1.00 0.22 C ATOM 1960 O VAL A 120 -11.016 5.027 -1.120 1.00 0.22 O ATOM 1961 CB VAL A 120 -7.733 5.498 -0.740 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -8.111 4.981 0.649 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -6.317 5.033 -1.083 1.00 0.23 C ATOM 0 H VAL A 120 -7.332 5.813 -3.138 1.00 0.21 H new ATOM 0 HA VAL A 120 -8.838 3.866 -1.656 1.00 0.20 H new ATOM 0 HB VAL A 120 -7.775 6.587 -0.747 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -7.414 5.377 1.387 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -9.122 5.305 0.895 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -8.067 3.892 0.656 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -5.616 5.427 -0.347 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -6.279 3.944 -1.073 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -6.045 5.396 -2.074 1.00 0.23 H new ATOM 1973 N GLU A 121 -10.176 6.882 -1.934 1.00 0.25 N ATOM 1974 CA GLU A 121 -11.476 7.597 -1.757 1.00 0.29 C ATOM 1975 C GLU A 121 -12.502 7.059 -2.763 1.00 0.28 C ATOM 1976 O GLU A 121 -13.672 6.932 -2.459 1.00 0.31 O ATOM 1977 CB GLU A 121 -11.259 9.112 -1.978 1.00 0.35 C ATOM 1978 CG GLU A 121 -11.107 9.834 -0.631 1.00 1.07 C ATOM 1979 CD GLU A 121 -9.927 9.243 0.142 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -9.035 8.708 -0.496 1.00 2.20 O ATOM 1981 OE2 GLU A 121 -9.936 9.336 1.358 1.00 2.27 O ATOM 0 H GLU A 121 -9.422 7.442 -2.332 1.00 0.25 H new ATOM 0 HA GLU A 121 -11.852 7.431 -0.747 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -10.369 9.273 -2.587 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -12.102 9.530 -2.529 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -10.949 10.900 -0.795 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -12.023 9.733 -0.048 1.00 1.07 H new ATOM 1988 N ASP A 122 -12.081 6.745 -3.955 1.00 0.28 N ATOM 1989 CA ASP A 122 -13.048 6.225 -4.963 1.00 0.30 C ATOM 1990 C ASP A 122 -13.590 4.873 -4.500 1.00 0.28 C ATOM 1991 O ASP A 122 -14.765 4.582 -4.638 1.00 0.31 O ATOM 1992 CB ASP A 122 -12.350 6.057 -6.314 1.00 0.34 C ATOM 1993 CG ASP A 122 -12.086 7.435 -6.925 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -11.860 8.363 -6.166 1.00 1.92 O ATOM 1995 OD2 ASP A 122 -12.113 7.537 -8.139 1.00 1.89 O ATOM 0 H ASP A 122 -11.116 6.825 -4.275 1.00 0.28 H new ATOM 0 HA ASP A 122 -13.870 6.932 -5.068 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -11.411 5.518 -6.186 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -12.970 5.462 -6.985 1.00 0.34 H new ATOM 2000 N LYS A 123 -12.748 4.040 -3.950 1.00 0.27 N ATOM 2001 CA LYS A 123 -13.216 2.708 -3.486 1.00 0.27 C ATOM 2002 C LYS A 123 -14.036 2.850 -2.202 1.00 0.26 C ATOM 2003 O LYS A 123 -14.988 2.122 -1.988 1.00 0.28 O ATOM 2004 CB LYS A 123 -12.002 1.812 -3.206 1.00 0.27 C ATOM 2005 CG LYS A 123 -11.164 1.597 -4.498 1.00 0.93 C ATOM 2006 CD LYS A 123 -11.360 0.174 -5.046 1.00 1.10 C ATOM 2007 CE LYS A 123 -12.793 0.008 -5.556 1.00 1.43 C ATOM 2008 NZ LYS A 123 -12.892 -1.247 -6.355 1.00 1.95 N ATOM 0 H LYS A 123 -11.756 4.227 -3.803 1.00 0.27 H new ATOM 0 HA LYS A 123 -13.840 2.265 -4.262 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -11.380 2.266 -2.435 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -12.336 0.849 -2.820 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -11.458 2.326 -5.253 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -10.109 1.767 -4.285 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -10.653 -0.015 -5.853 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -11.155 -0.558 -4.265 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -13.488 -0.026 -4.717 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -13.075 0.865 -6.168 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -13.866 -1.361 -6.702 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -12.240 -1.196 -7.163 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -12.640 -2.060 -5.757 1.00 1.95 H new ATOM 2022 N ILE A 124 -13.694 3.782 -1.338 1.00 0.27 N ATOM 2023 CA ILE A 124 -14.490 3.937 -0.081 1.00 0.29 C ATOM 2024 C ILE A 124 -15.734 4.773 -0.400 1.00 0.35 C ATOM 2025 O ILE A 124 -16.714 4.733 0.312 1.00 0.43 O ATOM 2026 CB ILE A 124 -13.648 4.585 1.029 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -12.539 3.626 1.471 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.533 4.917 2.232 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.594 4.341 2.444 1.00 0.30 C ATOM 0 H ILE A 124 -12.913 4.429 -1.448 1.00 0.27 H new ATOM 0 HA ILE A 124 -14.794 2.958 0.289 1.00 0.29 H new ATOM 0 HB ILE A 124 -13.204 5.502 0.640 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.973 2.748 1.950 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.983 3.273 0.603 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.927 5.376 3.014 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -15.317 5.610 1.927 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.986 4.002 2.614 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.806 3.655 2.756 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -11.149 5.205 1.950 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -12.154 4.672 3.318 1.00 0.30 H new ATOM 2041 N GLN A 125 -15.723 5.521 -1.466 1.00 0.35 N ATOM 2042 CA GLN A 125 -16.944 6.312 -1.785 1.00 0.40 C ATOM 2043 C GLN A 125 -18.046 5.319 -2.195 1.00 0.43 C ATOM 2044 O GLN A 125 -19.210 5.526 -1.923 1.00 0.54 O ATOM 2045 CB GLN A 125 -16.667 7.317 -2.915 1.00 0.53 C ATOM 2046 CG GLN A 125 -16.125 8.627 -2.331 1.00 1.22 C ATOM 2047 CD GLN A 125 -15.629 9.523 -3.468 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -15.281 9.040 -4.528 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -15.582 10.815 -3.294 1.00 2.64 N ATOM 0 H GLN A 125 -14.943 5.619 -2.116 1.00 0.35 H new ATOM 0 HA GLN A 125 -17.258 6.889 -0.915 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -15.947 6.897 -3.618 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -17.583 7.510 -3.474 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -16.905 9.136 -1.766 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -15.312 8.419 -1.636 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -15.874 11.221 -2.405 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -15.253 11.419 -4.047 1.00 2.64 H new ATOM 2058 N LYS A 126 -17.676 4.235 -2.834 1.00 0.65 N ATOM 2059 CA LYS A 126 -18.691 3.207 -3.249 1.00 1.01 C ATOM 2060 C LYS A 126 -19.153 2.416 -2.013 1.00 1.25 C ATOM 2061 O LYS A 126 -20.296 2.020 -1.903 1.00 1.67 O ATOM 2062 CB LYS A 126 -18.048 2.251 -4.263 1.00 1.37 C ATOM 2063 CG LYS A 126 -17.501 3.042 -5.475 1.00 1.43 C ATOM 2064 CD LYS A 126 -18.570 3.144 -6.582 1.00 1.89 C ATOM 2065 CE LYS A 126 -18.526 1.895 -7.473 1.00 1.98 C ATOM 2066 NZ LYS A 126 -19.496 2.050 -8.594 1.00 2.69 N ATOM 0 H LYS A 126 -16.713 4.015 -3.088 1.00 0.65 H new ATOM 0 HA LYS A 126 -19.552 3.698 -3.703 1.00 1.01 H new ATOM 0 HB2 LYS A 126 -17.239 1.696 -3.788 1.00 1.37 H new ATOM 0 HB3 LYS A 126 -18.782 1.519 -4.599 1.00 1.37 H new ATOM 0 HG2 LYS A 126 -17.200 4.041 -5.159 1.00 1.43 H new ATOM 0 HG3 LYS A 126 -16.610 2.550 -5.866 1.00 1.43 H new ATOM 0 HD2 LYS A 126 -19.559 3.247 -6.135 1.00 1.89 H new ATOM 0 HD3 LYS A 126 -18.398 4.036 -7.184 1.00 1.89 H new ATOM 0 HE2 LYS A 126 -17.520 1.751 -7.866 1.00 1.98 H new ATOM 0 HE3 LYS A 126 -18.769 1.009 -6.887 1.00 1.98 H new ATOM 0 HZ1 LYS A 126 -19.467 1.204 -9.198 1.00 2.69 H new ATOM 0 HZ2 LYS A 126 -20.455 2.168 -8.209 1.00 2.69 H new ATOM 0 HZ3 LYS A 126 -19.244 2.887 -9.158 1.00 2.69 H new ATOM 2080 N GLU A 127 -18.273 2.231 -1.069 1.00 1.12 N ATOM 2081 CA GLU A 127 -18.644 1.517 0.195 1.00 1.55 C ATOM 2082 C GLU A 127 -19.943 2.108 0.757 1.00 1.69 C ATOM 2083 O GLU A 127 -20.565 1.535 1.628 1.00 2.06 O ATOM 2084 CB GLU A 127 -17.528 1.692 1.231 1.00 1.61 C ATOM 2085 CG GLU A 127 -16.355 0.767 0.886 1.00 1.66 C ATOM 2086 CD GLU A 127 -16.756 -0.689 1.136 1.00 2.28 C ATOM 2087 OE1 GLU A 127 -16.799 -1.081 2.291 1.00 3.00 O ATOM 2088 OE2 GLU A 127 -17.018 -1.386 0.169 1.00 2.61 O ATOM 0 H GLU A 127 -17.304 2.545 -1.115 1.00 1.12 H new ATOM 0 HA GLU A 127 -18.784 0.458 -0.021 1.00 1.55 H new ATOM 0 HB2 GLU A 127 -17.193 2.729 1.248 1.00 1.61 H new ATOM 0 HB3 GLU A 127 -17.904 1.462 2.228 1.00 1.61 H new ATOM 0 HG2 GLU A 127 -16.068 0.901 -0.157 1.00 1.66 H new ATOM 0 HG3 GLU A 127 -15.486 1.024 1.492 1.00 1.66 H new ATOM 2095 N THR A 128 -20.359 3.247 0.277 1.00 1.49 N ATOM 2096 CA THR A 128 -21.617 3.855 0.804 1.00 1.74 C ATOM 2097 C THR A 128 -22.825 3.047 0.322 1.00 2.38 C ATOM 2098 O THR A 128 -23.947 3.510 0.365 1.00 2.92 O ATOM 2099 CB THR A 128 -21.735 5.298 0.304 1.00 1.89 C ATOM 2100 OG1 THR A 128 -22.840 5.925 0.941 1.00 2.46 O ATOM 2101 CG2 THR A 128 -21.947 5.308 -1.212 1.00 2.41 C ATOM 0 H THR A 128 -19.887 3.782 -0.452 1.00 1.49 H new ATOM 0 HA THR A 128 -21.591 3.847 1.894 1.00 1.74 H new ATOM 0 HB THR A 128 -20.818 5.838 0.540 1.00 1.89 H new ATOM 0 HG1 THR A 128 -23.601 5.307 0.959 1.00 2.46 H new ATOM 0 HG21 THR A 128 -22.030 6.337 -1.561 1.00 2.41 H new ATOM 0 HG22 THR A 128 -21.100 4.826 -1.701 1.00 2.41 H new ATOM 0 HG23 THR A 128 -22.862 4.768 -1.455 1.00 2.41 H new ATOM 2109 N LEU A 129 -22.607 1.843 -0.138 1.00 2.91 N ATOM 2110 CA LEU A 129 -23.746 1.010 -0.624 1.00 3.76 C ATOM 2111 C LEU A 129 -24.544 1.795 -1.673 1.00 3.99 C ATOM 2112 O LEU A 129 -24.308 1.680 -2.859 1.00 4.43 O ATOM 2113 CB LEU A 129 -24.660 0.642 0.563 1.00 4.48 C ATOM 2114 CG LEU A 129 -24.172 -0.654 1.220 1.00 5.08 C ATOM 2115 CD1 LEU A 129 -22.757 -0.453 1.765 1.00 5.76 C ATOM 2116 CD2 LEU A 129 -25.112 -1.026 2.368 1.00 5.70 C ATOM 0 H LEU A 129 -21.690 1.401 -0.198 1.00 2.91 H new ATOM 0 HA LEU A 129 -23.362 0.096 -1.076 1.00 3.76 H new ATOM 0 HB2 LEU A 129 -24.664 1.451 1.294 1.00 4.48 H new ATOM 0 HB3 LEU A 129 -25.687 0.520 0.218 1.00 4.48 H new ATOM 0 HG LEU A 129 -24.163 -1.454 0.480 1.00 5.08 H new ATOM 0 HD11 LEU A 129 -22.412 -1.376 2.232 1.00 5.76 H new ATOM 0 HD12 LEU A 129 -22.087 -0.187 0.948 1.00 5.76 H new ATOM 0 HD13 LEU A 129 -22.762 0.348 2.505 1.00 5.76 H new ATOM 0 HD21 LEU A 129 -24.767 -1.948 2.837 1.00 5.70 H new ATOM 0 HD22 LEU A 129 -25.120 -0.224 3.106 1.00 5.70 H new ATOM 0 HD23 LEU A 129 -26.120 -1.172 1.980 1.00 5.70 H new ATOM 2128 N LYS A 130 -25.492 2.584 -1.244 1.00 4.26 N ATOM 2129 CA LYS A 130 -26.313 3.367 -2.213 1.00 5.01 C ATOM 2130 C LYS A 130 -26.841 4.631 -1.531 1.00 5.21 C ATOM 2131 O LYS A 130 -27.015 5.659 -2.154 1.00 5.67 O ATOM 2132 CB LYS A 130 -27.492 2.507 -2.676 1.00 5.74 C ATOM 2133 CG LYS A 130 -28.258 3.237 -3.783 1.00 6.32 C ATOM 2134 CD LYS A 130 -29.365 2.331 -4.346 1.00 7.29 C ATOM 2135 CE LYS A 130 -30.582 2.325 -3.410 1.00 7.78 C ATOM 2136 NZ LYS A 130 -31.005 3.725 -3.120 1.00 8.42 N ATOM 0 H LYS A 130 -25.734 2.721 -0.263 1.00 4.26 H new ATOM 0 HA LYS A 130 -25.702 3.649 -3.071 1.00 5.01 H new ATOM 0 HB2 LYS A 130 -27.132 1.546 -3.042 1.00 5.74 H new ATOM 0 HB3 LYS A 130 -28.156 2.300 -1.837 1.00 5.74 H new ATOM 0 HG2 LYS A 130 -28.694 4.155 -3.389 1.00 6.32 H new ATOM 0 HG3 LYS A 130 -27.573 3.526 -4.580 1.00 6.32 H new ATOM 0 HD2 LYS A 130 -29.661 2.680 -5.335 1.00 7.29 H new ATOM 0 HD3 LYS A 130 -28.986 1.316 -4.467 1.00 7.29 H new ATOM 0 HE2 LYS A 130 -31.403 1.776 -3.870 1.00 7.78 H new ATOM 0 HE3 LYS A 130 -30.335 1.810 -2.481 1.00 7.78 H new ATOM 0 HZ1 LYS A 130 -32.025 3.745 -2.917 1.00 8.42 H new ATOM 0 HZ2 LYS A 130 -30.481 4.082 -2.296 1.00 8.42 H new ATOM 0 HZ3 LYS A 130 -30.805 4.326 -3.945 1.00 8.42 H new ATOM 2150 N GLY A 131 -27.099 4.563 -0.254 1.00 5.31 N ATOM 2151 CA GLY A 131 -27.616 5.760 0.466 1.00 5.94 C ATOM 2152 C GLY A 131 -29.091 5.967 0.117 1.00 6.20 C ATOM 2153 O GLY A 131 -29.964 5.320 0.661 1.00 6.51 O ATOM 0 H GLY A 131 -26.974 3.730 0.322 1.00 5.31 H new ATOM 0 HA2 GLY A 131 -27.501 5.628 1.542 1.00 5.94 H new ATOM 0 HA3 GLY A 131 -27.038 6.642 0.189 1.00 5.94 H new ATOM 2157 N VAL A 132 -29.376 6.865 -0.786 1.00 6.39 N ATOM 2158 CA VAL A 132 -30.796 7.113 -1.169 1.00 6.87 C ATOM 2159 C VAL A 132 -30.842 7.916 -2.469 1.00 7.31 C ATOM 2160 O VAL A 132 -31.813 7.881 -3.199 1.00 7.54 O ATOM 2161 CB VAL A 132 -31.492 7.902 -0.058 1.00 7.38 C ATOM 2162 CG1 VAL A 132 -30.781 9.243 0.140 1.00 7.84 C ATOM 2163 CG2 VAL A 132 -32.950 8.151 -0.449 1.00 7.83 C ATOM 0 H VAL A 132 -28.688 7.438 -1.275 1.00 6.39 H new ATOM 0 HA VAL A 132 -31.305 6.160 -1.313 1.00 6.87 H new ATOM 0 HB VAL A 132 -31.455 7.332 0.870 1.00 7.38 H new ATOM 0 HG11 VAL A 132 -31.277 9.805 0.931 1.00 7.84 H new ATOM 0 HG12 VAL A 132 -29.742 9.066 0.417 1.00 7.84 H new ATOM 0 HG13 VAL A 132 -30.817 9.814 -0.788 1.00 7.84 H new ATOM 0 HG21 VAL A 132 -33.448 8.713 0.341 1.00 7.83 H new ATOM 0 HG22 VAL A 132 -32.985 8.721 -1.377 1.00 7.83 H new ATOM 0 HG23 VAL A 132 -33.457 7.196 -0.590 1.00 7.83 H new ATOM 2173 N VAL A 133 -29.799 8.643 -2.765 1.00 7.71 N ATOM 2174 CA VAL A 133 -29.782 9.450 -4.017 1.00 8.45 C ATOM 2175 C VAL A 133 -29.793 8.514 -5.228 1.00 8.66 C ATOM 2176 O VAL A 133 -29.053 7.553 -5.287 1.00 8.87 O ATOM 2177 CB VAL A 133 -28.519 10.315 -4.049 1.00 9.00 C ATOM 2178 CG1 VAL A 133 -27.282 9.420 -4.181 1.00 9.52 C ATOM 2179 CG2 VAL A 133 -28.588 11.272 -5.242 1.00 9.12 C ATOM 0 H VAL A 133 -28.957 8.713 -2.193 1.00 7.71 H new ATOM 0 HA VAL A 133 -30.662 10.092 -4.048 1.00 8.45 H new ATOM 0 HB VAL A 133 -28.450 10.888 -3.125 1.00 9.00 H new ATOM 0 HG11 VAL A 133 -26.385 10.039 -4.203 1.00 9.52 H new ATOM 0 HG12 VAL A 133 -27.232 8.740 -3.330 1.00 9.52 H new ATOM 0 HG13 VAL A 133 -27.347 8.843 -5.103 1.00 9.52 H new ATOM 0 HG21 VAL A 133 -27.690 11.889 -5.266 1.00 9.12 H new ATOM 0 HG22 VAL A 133 -28.659 10.698 -6.166 1.00 9.12 H new ATOM 0 HG23 VAL A 133 -29.465 11.912 -5.145 1.00 9.12 H new ATOM 2189 N VAL A 134 -30.625 8.788 -6.196 1.00 8.83 N ATOM 2190 CA VAL A 134 -30.679 7.914 -7.402 1.00 9.26 C ATOM 2191 C VAL A 134 -29.533 8.282 -8.348 1.00 9.25 C ATOM 2192 O VAL A 134 -29.352 9.432 -8.698 1.00 9.26 O ATOM 2193 CB VAL A 134 -32.020 8.113 -8.114 1.00 9.44 C ATOM 2194 CG1 VAL A 134 -32.124 9.550 -8.636 1.00 10.00 C ATOM 2195 CG2 VAL A 134 -32.124 7.132 -9.285 1.00 9.45 C ATOM 0 H VAL A 134 -31.269 9.579 -6.204 1.00 8.83 H new ATOM 0 HA VAL A 134 -30.580 6.870 -7.103 1.00 9.26 H new ATOM 0 HB VAL A 134 -32.832 7.930 -7.411 1.00 9.44 H new ATOM 0 HG11 VAL A 134 -33.080 9.685 -9.142 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -32.054 10.247 -7.801 1.00 10.00 H new ATOM 0 HG13 VAL A 134 -31.312 9.742 -9.338 1.00 10.00 H new ATOM 0 HG21 VAL A 134 -33.078 7.272 -9.793 1.00 9.45 H new ATOM 0 HG22 VAL A 134 -31.309 7.314 -9.986 1.00 9.45 H new ATOM 0 HG23 VAL A 134 -32.059 6.110 -8.911 1.00 9.45 H new ATOM 2205 N ALA A 135 -28.755 7.309 -8.760 1.00 9.49 N ATOM 2206 CA ALA A 135 -27.607 7.578 -9.685 1.00 9.78 C ATOM 2207 C ALA A 135 -27.807 6.791 -10.982 1.00 10.09 C ATOM 2208 O ALA A 135 -27.927 7.357 -12.051 1.00 10.21 O ATOM 2209 CB ALA A 135 -26.305 7.127 -9.019 1.00 10.09 C ATOM 0 H ALA A 135 -28.867 6.331 -8.493 1.00 9.49 H new ATOM 0 HA ALA A 135 -27.557 8.644 -9.906 1.00 9.78 H new ATOM 0 HB1 ALA A 135 -25.467 7.321 -9.689 1.00 10.09 H new ATOM 0 HB2 ALA A 135 -26.162 7.678 -8.090 1.00 10.09 H new ATOM 0 HB3 ALA A 135 -26.357 6.060 -8.803 1.00 10.09 H new ATOM 2215 N GLY A 136 -27.844 5.489 -10.898 1.00 10.42 N ATOM 2216 CA GLY A 136 -28.036 4.668 -12.128 1.00 10.92 C ATOM 2217 C GLY A 136 -29.427 4.931 -12.708 1.00 10.81 C ATOM 2218 O GLY A 136 -29.607 5.786 -13.551 1.00 10.79 O ATOM 0 H GLY A 136 -27.750 4.958 -10.032 1.00 10.42 H new ATOM 0 HA2 GLY A 136 -27.271 4.914 -12.865 1.00 10.92 H new ATOM 0 HA3 GLY A 136 -27.923 3.610 -11.892 1.00 10.92 H new ATOM 2222 N GLY A 137 -30.413 4.201 -12.263 1.00 10.95 N ATOM 2223 CA GLY A 137 -31.791 4.410 -12.791 1.00 11.08 C ATOM 2224 C GLY A 137 -32.776 3.535 -12.013 1.00 10.93 C ATOM 2225 O GLY A 137 -32.499 3.099 -10.913 1.00 10.97 O ATOM 0 H GLY A 137 -30.324 3.470 -11.557 1.00 10.95 H new ATOM 0 HA2 GLY A 137 -32.071 5.460 -12.700 1.00 11.08 H new ATOM 0 HA3 GLY A 137 -31.827 4.161 -13.852 1.00 11.08 H new ATOM 2229 N VAL A 138 -33.924 3.275 -12.576 1.00 10.96 N ATOM 2230 CA VAL A 138 -34.929 2.429 -11.871 1.00 11.02 C ATOM 2231 C VAL A 138 -34.404 0.995 -11.766 1.00 11.10 C ATOM 2232 O VAL A 138 -35.052 0.130 -11.216 1.00 11.23 O ATOM 2233 CB VAL A 138 -36.244 2.445 -12.658 1.00 11.24 C ATOM 2234 CG1 VAL A 138 -35.984 1.985 -14.096 1.00 11.29 C ATOM 2235 CG2 VAL A 138 -37.267 1.511 -11.992 1.00 11.73 C ATOM 0 H VAL A 138 -34.210 3.612 -13.495 1.00 10.96 H new ATOM 0 HA VAL A 138 -35.103 2.821 -10.869 1.00 11.02 H new ATOM 0 HB VAL A 138 -36.644 3.459 -12.667 1.00 11.24 H new ATOM 0 HG11 VAL A 138 -36.919 1.996 -14.656 1.00 11.29 H new ATOM 0 HG12 VAL A 138 -35.269 2.658 -14.570 1.00 11.29 H new ATOM 0 HG13 VAL A 138 -35.579 0.973 -14.087 1.00 11.29 H new ATOM 0 HG21 VAL A 138 -38.198 1.529 -12.558 1.00 11.73 H new ATOM 0 HG22 VAL A 138 -36.873 0.495 -11.973 1.00 11.73 H new ATOM 0 HG23 VAL A 138 -37.456 1.846 -10.972 1.00 11.73 H new ATOM 2245 N HIS A 139 -33.232 0.745 -12.289 1.00 11.24 N ATOM 2246 CA HIS A 139 -32.647 -0.629 -12.228 1.00 11.56 C ATOM 2247 C HIS A 139 -33.469 -1.580 -13.104 1.00 11.58 C ATOM 2248 O HIS A 139 -34.365 -2.253 -12.634 1.00 11.58 O ATOM 2249 CB HIS A 139 -32.641 -1.133 -10.773 1.00 11.70 C ATOM 2250 CG HIS A 139 -31.611 -2.220 -10.609 1.00 12.07 C ATOM 2251 ND1 HIS A 139 -30.328 -1.960 -10.157 1.00 12.47 N ATOM 2252 CD2 HIS A 139 -31.664 -3.575 -10.829 1.00 12.33 C ATOM 2253 CE1 HIS A 139 -29.666 -3.131 -10.118 1.00 12.93 C ATOM 2254 NE2 HIS A 139 -30.435 -4.148 -10.518 1.00 12.88 N ATOM 0 H HIS A 139 -32.650 1.438 -12.759 1.00 11.24 H new ATOM 0 HA HIS A 139 -31.622 -0.597 -12.597 1.00 11.56 H new ATOM 0 HB2 HIS A 139 -32.423 -0.308 -10.095 1.00 11.70 H new ATOM 0 HB3 HIS A 139 -33.628 -1.512 -10.507 1.00 11.70 H new ATOM 0 HD2 HIS A 139 -32.528 -4.114 -11.189 1.00 12.33 H new ATOM 0 HE1 HIS A 139 -28.639 -3.236 -9.802 1.00 12.93 H new ATOM 0 HE2 HIS A 139 -30.177 -5.133 -10.582 1.00 12.88 H new ATOM 2262 N HIS A 140 -33.167 -1.645 -14.373 1.00 11.84 N ATOM 2263 CA HIS A 140 -33.927 -2.558 -15.274 1.00 12.12 C ATOM 2264 C HIS A 140 -33.173 -2.706 -16.598 1.00 12.14 C ATOM 2265 O HIS A 140 -32.451 -1.821 -17.013 1.00 12.31 O ATOM 2266 CB HIS A 140 -35.319 -1.974 -15.534 1.00 12.66 C ATOM 2267 CG HIS A 140 -36.175 -2.973 -16.272 1.00 12.85 C ATOM 2268 ND1 HIS A 140 -36.187 -4.350 -16.295 1.00 13.12 N flip ATOM 2269 CD2 HIS A 140 -37.197 -2.575 -17.121 1.00 13.01 C flip ATOM 2270 CE1 HIS A 140 -37.198 -4.794 -17.142 1.00 13.43 C flip ATOM 2271 NE2 HIS A 140 -37.774 -3.686 -17.613 1.00 13.38 N flip ATOM 0 H HIS A 140 -32.428 -1.106 -14.824 1.00 11.84 H new ATOM 0 HA HIS A 140 -34.029 -3.536 -14.805 1.00 12.12 H new ATOM 0 HB2 HIS A 140 -35.792 -1.708 -14.589 1.00 12.66 H new ATOM 0 HB3 HIS A 140 -35.233 -1.057 -16.117 1.00 12.66 H new ATOM 0 HD2 HIS A 140 -37.479 -1.557 -17.346 1.00 13.01 H new ATOM 0 HE1 HIS A 140 -37.460 -5.817 -17.370 1.00 13.43 H new ATOM 0 HE2 HIS A 140 -38.557 -3.682 -18.267 1.00 13.38 H new ATOM 2279 N HIS A 141 -33.329 -3.818 -17.263 1.00 12.15 N ATOM 2280 CA HIS A 141 -32.616 -4.020 -18.557 1.00 12.34 C ATOM 2281 C HIS A 141 -33.315 -5.120 -19.360 1.00 12.56 C ATOM 2282 O HIS A 141 -33.571 -6.198 -18.861 1.00 12.54 O ATOM 2283 CB HIS A 141 -31.167 -4.429 -18.279 1.00 12.27 C ATOM 2284 CG HIS A 141 -31.138 -5.438 -17.164 1.00 12.29 C ATOM 2285 ND1 HIS A 141 -31.174 -6.803 -17.401 1.00 12.49 N ATOM 2286 CD2 HIS A 141 -31.080 -5.295 -15.800 1.00 12.37 C ATOM 2287 CE1 HIS A 141 -31.138 -7.422 -16.207 1.00 12.67 C ATOM 2288 NE2 HIS A 141 -31.080 -6.550 -15.198 1.00 12.62 N ATOM 0 H HIS A 141 -33.919 -4.595 -16.967 1.00 12.15 H new ATOM 0 HA HIS A 141 -32.629 -3.093 -19.129 1.00 12.34 H new ATOM 0 HB2 HIS A 141 -30.718 -4.851 -19.178 1.00 12.27 H new ATOM 0 HB3 HIS A 141 -30.576 -3.554 -18.008 1.00 12.27 H new ATOM 0 HD2 HIS A 141 -31.040 -4.352 -15.274 1.00 12.37 H new ATOM 0 HE1 HIS A 141 -31.154 -8.494 -16.080 1.00 12.67 H new ATOM 0 HE2 HIS A 141 -31.044 -6.759 -14.200 1.00 12.62 H new ATOM 2296 N HIS A 142 -33.626 -4.856 -20.601 1.00 12.97 N ATOM 2297 CA HIS A 142 -34.308 -5.884 -21.442 1.00 13.40 C ATOM 2298 C HIS A 142 -33.258 -6.755 -22.135 1.00 13.78 C ATOM 2299 O HIS A 142 -33.552 -7.467 -23.075 1.00 13.99 O ATOM 2300 CB HIS A 142 -35.167 -5.186 -22.498 1.00 13.68 C ATOM 2301 CG HIS A 142 -35.990 -4.112 -21.844 1.00 13.93 C ATOM 2302 ND1 HIS A 142 -35.415 -2.997 -21.253 1.00 14.12 N ATOM 2303 CD2 HIS A 142 -37.345 -3.967 -21.678 1.00 14.22 C ATOM 2304 CE1 HIS A 142 -36.412 -2.238 -20.763 1.00 14.49 C ATOM 2305 NE2 HIS A 142 -37.609 -2.783 -20.995 1.00 14.57 N ATOM 0 H HIS A 142 -33.437 -3.970 -21.070 1.00 12.97 H new ATOM 0 HA HIS A 142 -34.940 -6.510 -20.812 1.00 13.40 H new ATOM 0 HB2 HIS A 142 -34.532 -4.753 -23.271 1.00 13.68 H new ATOM 0 HB3 HIS A 142 -35.818 -5.909 -22.989 1.00 13.68 H new ATOM 0 HD2 HIS A 142 -38.092 -4.665 -22.025 1.00 14.22 H new ATOM 0 HE1 HIS A 142 -36.263 -1.302 -20.245 1.00 14.49 H new ATOM 0 HE2 HIS A 142 -38.521 -2.411 -20.729 1.00 14.57 H new ATOM 2313 N HIS A 143 -32.035 -6.705 -21.681 1.00 14.05 N ATOM 2314 CA HIS A 143 -30.970 -7.531 -22.317 1.00 14.61 C ATOM 2315 C HIS A 143 -31.008 -7.334 -23.834 1.00 14.84 C ATOM 2316 O HIS A 143 -31.265 -8.256 -24.583 1.00 15.15 O ATOM 2317 CB HIS A 143 -31.205 -9.008 -21.988 1.00 15.10 C ATOM 2318 CG HIS A 143 -30.834 -9.269 -20.553 1.00 15.48 C ATOM 2319 ND1 HIS A 143 -29.517 -9.401 -20.143 1.00 15.71 N ATOM 2320 CD2 HIS A 143 -31.596 -9.427 -19.422 1.00 15.83 C ATOM 2321 CE1 HIS A 143 -29.525 -9.627 -18.817 1.00 16.18 C ATOM 2322 NE2 HIS A 143 -30.768 -9.653 -18.327 1.00 16.28 N ATOM 0 H HIS A 143 -31.728 -6.128 -20.898 1.00 14.05 H new ATOM 0 HA HIS A 143 -29.996 -7.224 -21.936 1.00 14.61 H new ATOM 0 HB2 HIS A 143 -32.250 -9.267 -22.157 1.00 15.10 H new ATOM 0 HB3 HIS A 143 -30.609 -9.638 -22.649 1.00 15.10 H new ATOM 0 HD1 HIS A 143 -28.691 -9.338 -20.739 1.00 15.71 H new ATOM 0 HD2 HIS A 143 -32.675 -9.383 -19.388 1.00 15.83 H new ATOM 0 HE1 HIS A 143 -28.636 -9.770 -18.221 1.00 16.18 H new ATOM 2330 N HIS A 144 -30.754 -6.139 -24.292 1.00 14.86 N ATOM 2331 CA HIS A 144 -30.775 -5.885 -25.760 1.00 15.27 C ATOM 2332 C HIS A 144 -29.551 -6.534 -26.408 1.00 15.55 C ATOM 2333 O HIS A 144 -29.575 -7.738 -26.600 1.00 15.64 O ATOM 2334 CB HIS A 144 -30.748 -4.376 -26.014 1.00 15.46 C ATOM 2335 CG HIS A 144 -30.861 -4.113 -27.491 1.00 15.63 C ATOM 2336 ND1 HIS A 144 -29.748 -3.902 -28.290 1.00 15.72 N ATOM 2337 CD2 HIS A 144 -31.946 -4.021 -28.326 1.00 15.90 C ATOM 2338 CE1 HIS A 144 -30.185 -3.695 -29.546 1.00 16.03 C ATOM 2339 NE2 HIS A 144 -31.517 -3.757 -29.624 1.00 16.15 N ATOM 2340 OXT HIS A 144 -28.609 -5.815 -26.701 1.00 15.80 O ATOM 0 H HIS A 144 -30.533 -5.328 -23.714 1.00 14.86 H new ATOM 0 HA HIS A 144 -31.681 -6.311 -26.191 1.00 15.27 H new ATOM 0 HB2 HIS A 144 -31.569 -3.893 -25.484 1.00 15.46 H new ATOM 0 HB3 HIS A 144 -29.823 -3.948 -25.627 1.00 15.46 H new ATOM 0 HD1 HIS A 144 -28.776 -3.903 -27.982 1.00 15.72 H new ATOM 0 HD2 HIS A 144 -32.976 -4.136 -28.023 1.00 15.90 H new ATOM 0 HE1 HIS A 144 -29.537 -3.502 -30.388 1.00 16.03 H new TER 2348 HIS A 144