USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1230 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 135 LYS NZ :NH3+ 143:sc= 1.31 (180deg=-0.0293) USER MOD Set 1.2: A 139 THR OG1 : rot 64:sc= 2.2 USER MOD Set 2.1: A 106 GLN : amide:sc= -0.0465 K(o=0.43,f=-0.7) USER MOD Set 2.2: A 108 LYS NZ :NH3+ -167:sc= 0.48 (180deg=0.0186) USER MOD Set 3.1: A 70 LYS NZ :NH3+ 160:sc= -0.0483 (180deg=-0.645) USER MOD Set 3.2: A 76 THR OG1 : rot -95:sc= 1.29 USER MOD Set 4.1: A 33 ASN :FLIP amide:sc= -1.22 F(o=-5.3!,f=-2.2) USER MOD Set 4.2: A 34 ASN : amide:sc= -0.505 K(o=-2.2,f=-6.5!) USER MOD Set 4.3: A 84 ASN : amide:sc= -0.514 K(o=-2.2,f=-4.6) USER MOD Single : A 1 ASN : amide:sc= -0.53 K(o=-0.53,f=-6.2!) USER MOD Single : A 1 ASN N :NH3+ -157:sc= 1.08 (180deg=0.604) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -7.15! C(o=-7.1!,f=-9.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -112:sc= -1.46 (180deg=-3.72!) USER MOD Single : A 18 THR OG1 : rot -81:sc= 0.883 USER MOD Single : A 21 LYS NZ :NH3+ -145:sc= 1.26 (180deg=-0.0101!) USER MOD Single : A 22 THR OG1 : rot 92:sc= 0.489 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 38 THR OG1 : rot 10:sc= 1.04 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= 1.16 (180deg=0.291) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= -2.23 F(o=-7.3!,f=-2.2) USER MOD Single : A 63 HIS : no HD1:sc= -1.6! C(o=-1.6!,f=-4.9!) USER MOD Single : A 64 THR OG1 : rot 34:sc= 0.0303 USER MOD Single : A 93 ASN :FLIP amide:sc=-0.00464 F(o=-1.3!,f=-0.0046) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= -1.25 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 172:sc=-0.00883 (180deg=-0.106) USER MOD Single : A 109 THR OG1 : rot 1:sc= 0.475 USER MOD Single : A 115 HIS :FLIP no HE2:sc= -3.57! C(o=-5.3!,f=-3.6!) USER MOD Single : A 116 THR OG1 : rot 100:sc= -0.734 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 MET CE :methyl -169:sc= -0.0369 (180deg=-0.268) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.73) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -1.71! X(o=-1.7!,f=-1.3) USER MOD Single : A 133 MET CE :methyl -171:sc= 0 (180deg=-0.11) USER MOD Single : A 142 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.076) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -0.734 X(o=-0.73,f=-0.61) USER MOD Single : A 147 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.11) USER MOD Single : A 154 LYS NZ :NH3+ -158:sc= 2.05 (180deg=1.29) USER MOD Single : A 155 LYS NZ :NH3+ 146:sc= -2.29! (180deg=-4.63!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 6.729 12.063 -8.273 1.00 1.65 N ATOM 2 CA ASN A 1 6.494 12.369 -6.847 1.00 1.32 C ATOM 3 C ASN A 1 7.535 11.674 -5.972 1.00 1.24 C ATOM 4 O ASN A 1 7.604 10.450 -5.935 1.00 1.61 O ATOM 5 CB ASN A 1 5.063 11.958 -6.456 1.00 1.23 C ATOM 6 CG ASN A 1 4.750 10.497 -6.739 1.00 1.26 C ATOM 7 OD1 ASN A 1 5.323 9.886 -7.642 1.00 1.66 O ATOM 8 ND2 ASN A 1 3.811 9.939 -5.994 1.00 1.42 N ATOM 0 H1 ASN A 1 6.302 12.806 -8.862 1.00 1.65 H new ATOM 0 H2 ASN A 1 7.752 12.022 -8.455 1.00 1.65 H new ATOM 0 H3 ASN A 1 6.299 11.146 -8.507 1.00 1.65 H new ATOM 0 HA ASN A 1 6.597 13.442 -6.687 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.915 12.153 -5.394 1.00 1.23 H new ATOM 0 HB3 ASN A 1 4.354 12.584 -6.997 1.00 1.23 H new ATOM 0 HD21 ASN A 1 3.539 8.970 -6.158 1.00 1.42 H new ATOM 0 HD22 ASN A 1 3.359 10.478 -5.255 1.00 1.42 H new ATOM 17 N TYR A 2 8.359 12.485 -5.302 1.00 1.16 N ATOM 18 CA TYR A 2 9.443 12.010 -4.423 1.00 1.12 C ATOM 19 C TYR A 2 10.287 13.196 -3.989 1.00 1.22 C ATOM 20 O TYR A 2 10.761 13.247 -2.868 1.00 1.20 O ATOM 21 CB TYR A 2 10.335 10.942 -5.098 1.00 1.31 C ATOM 22 CG TYR A 2 10.938 11.333 -6.436 1.00 1.67 C ATOM 23 CD1 TYR A 2 12.045 12.172 -6.500 1.00 2.21 C ATOM 24 CD2 TYR A 2 10.394 10.881 -7.634 1.00 1.84 C ATOM 25 CE1 TYR A 2 12.591 12.544 -7.713 1.00 2.90 C ATOM 26 CE2 TYR A 2 10.937 11.246 -8.850 1.00 2.43 C ATOM 27 CZ TYR A 2 12.052 12.021 -8.893 1.00 2.97 C ATOM 28 OH TYR A 2 12.581 12.443 -10.093 1.00 3.73 O ATOM 0 H TYR A 2 8.295 13.502 -5.352 1.00 1.16 H new ATOM 0 HA TYR A 2 8.983 11.532 -3.558 1.00 1.12 H new ATOM 0 HB2 TYR A 2 11.146 10.689 -4.415 1.00 1.31 H new ATOM 0 HB3 TYR A 2 9.743 10.038 -5.238 1.00 1.31 H new ATOM 0 HD1 TYR A 2 12.486 12.539 -5.585 1.00 2.21 H new ATOM 0 HD2 TYR A 2 9.531 10.232 -7.613 1.00 1.84 H new ATOM 0 HE1 TYR A 2 13.424 13.230 -7.750 1.00 2.90 H new ATOM 0 HE2 TYR A 2 10.475 10.915 -9.768 1.00 2.43 H new ATOM 0 HH TYR A 2 12.113 11.999 -10.831 1.00 3.73 H new ATOM 38 N ASP A 3 10.456 14.163 -4.884 1.00 1.44 N ATOM 39 CA ASP A 3 11.249 15.347 -4.571 1.00 1.65 C ATOM 40 C ASP A 3 10.494 16.278 -3.616 1.00 1.53 C ATOM 41 O ASP A 3 11.015 16.625 -2.557 1.00 1.62 O ATOM 42 CB ASP A 3 11.653 16.093 -5.849 1.00 1.99 C ATOM 43 CG ASP A 3 12.603 17.241 -5.570 1.00 2.44 C ATOM 44 OD1 ASP A 3 13.827 17.008 -5.544 1.00 2.78 O ATOM 45 OD2 ASP A 3 12.133 18.382 -5.381 1.00 2.63 O ATOM 0 H ASP A 3 10.059 14.152 -5.823 1.00 1.44 H new ATOM 0 HA ASP A 3 12.159 15.015 -4.071 1.00 1.65 H new ATOM 0 HB2 ASP A 3 12.124 15.395 -6.541 1.00 1.99 H new ATOM 0 HB3 ASP A 3 10.759 16.476 -6.341 1.00 1.99 H new ATOM 50 N PRO A 4 9.261 16.711 -3.963 1.00 1.46 N ATOM 51 CA PRO A 4 8.453 17.510 -3.056 1.00 1.45 C ATOM 52 C PRO A 4 7.675 16.642 -2.070 1.00 1.27 C ATOM 53 O PRO A 4 7.961 16.639 -0.873 1.00 1.34 O ATOM 54 CB PRO A 4 7.511 18.269 -3.991 1.00 1.61 C ATOM 55 CG PRO A 4 7.400 17.436 -5.229 1.00 1.63 C ATOM 56 CD PRO A 4 8.575 16.485 -5.250 1.00 1.52 C ATOM 0 HA PRO A 4 9.057 18.169 -2.432 1.00 1.45 H new ATOM 0 HB2 PRO A 4 6.534 18.413 -3.529 1.00 1.61 H new ATOM 0 HB3 PRO A 4 7.904 19.259 -4.221 1.00 1.61 H new ATOM 0 HG2 PRO A 4 6.461 16.883 -5.235 1.00 1.63 H new ATOM 0 HG3 PRO A 4 7.404 18.068 -6.117 1.00 1.63 H new ATOM 0 HD2 PRO A 4 8.246 15.450 -5.347 1.00 1.52 H new ATOM 0 HD3 PRO A 4 9.236 16.690 -6.092 1.00 1.52 H new ATOM 64 N PHE A 5 6.698 15.901 -2.585 1.00 1.17 N ATOM 65 CA PHE A 5 5.890 15.002 -1.778 1.00 1.11 C ATOM 66 C PHE A 5 5.465 13.795 -2.606 1.00 0.94 C ATOM 67 O PHE A 5 5.204 13.921 -3.805 1.00 1.01 O ATOM 68 CB PHE A 5 4.623 15.704 -1.259 1.00 1.40 C ATOM 69 CG PHE A 5 4.873 16.856 -0.324 1.00 1.63 C ATOM 70 CD1 PHE A 5 4.817 18.163 -0.785 1.00 1.75 C ATOM 71 CD2 PHE A 5 5.156 16.634 1.014 1.00 2.34 C ATOM 72 CE1 PHE A 5 5.041 19.222 0.071 1.00 2.39 C ATOM 73 CE2 PHE A 5 5.382 17.690 1.874 1.00 3.21 C ATOM 74 CZ PHE A 5 5.325 18.987 1.402 1.00 3.19 C ATOM 0 H PHE A 5 6.447 15.909 -3.574 1.00 1.17 H new ATOM 0 HA PHE A 5 6.498 14.687 -0.930 1.00 1.11 H new ATOM 0 HB2 PHE A 5 4.051 16.066 -2.113 1.00 1.40 H new ATOM 0 HB3 PHE A 5 4.002 14.969 -0.748 1.00 1.40 H new ATOM 0 HD1 PHE A 5 4.596 18.354 -1.825 1.00 1.75 H new ATOM 0 HD2 PHE A 5 5.200 15.622 1.389 1.00 2.34 H new ATOM 0 HE1 PHE A 5 4.994 20.235 -0.300 1.00 2.39 H new ATOM 0 HE2 PHE A 5 5.603 17.502 2.914 1.00 3.21 H new ATOM 0 HZ PHE A 5 5.502 19.815 2.072 1.00 3.19 H new ATOM 84 N VAL A 6 5.429 12.632 -1.982 1.00 0.85 N ATOM 85 CA VAL A 6 4.787 11.471 -2.576 1.00 0.79 C ATOM 86 C VAL A 6 3.391 11.333 -1.998 1.00 0.69 C ATOM 87 O VAL A 6 3.228 11.058 -0.810 1.00 0.77 O ATOM 88 CB VAL A 6 5.558 10.166 -2.313 1.00 0.92 C ATOM 89 CG1 VAL A 6 4.752 8.965 -2.787 1.00 1.44 C ATOM 90 CG2 VAL A 6 6.927 10.196 -2.969 1.00 1.41 C ATOM 0 H VAL A 6 5.837 12.465 -1.062 1.00 0.85 H new ATOM 0 HA VAL A 6 4.761 11.629 -3.654 1.00 0.79 H new ATOM 0 HB VAL A 6 5.710 10.073 -1.238 1.00 0.92 H new ATOM 0 HG11 VAL A 6 5.313 8.051 -2.593 1.00 1.44 H new ATOM 0 HG12 VAL A 6 3.803 8.929 -2.251 1.00 1.44 H new ATOM 0 HG13 VAL A 6 4.562 9.054 -3.857 1.00 1.44 H new ATOM 0 HG21 VAL A 6 7.448 9.261 -2.766 1.00 1.41 H new ATOM 0 HG22 VAL A 6 6.812 10.321 -4.046 1.00 1.41 H new ATOM 0 HG23 VAL A 6 7.505 11.028 -2.567 1.00 1.41 H new ATOM 100 N ARG A 7 2.387 11.543 -2.819 1.00 0.64 N ATOM 101 CA ARG A 7 1.024 11.481 -2.343 1.00 0.56 C ATOM 102 C ARG A 7 0.217 10.471 -3.137 1.00 0.54 C ATOM 103 O ARG A 7 0.309 10.412 -4.364 1.00 0.64 O ATOM 104 CB ARG A 7 0.386 12.862 -2.435 1.00 0.57 C ATOM 105 CG ARG A 7 -0.974 12.950 -1.762 1.00 0.57 C ATOM 106 CD ARG A 7 -1.479 14.384 -1.734 1.00 0.71 C ATOM 107 NE ARG A 7 -0.449 15.327 -1.286 1.00 1.61 N ATOM 108 CZ ARG A 7 -0.277 15.712 -0.018 1.00 2.25 C ATOM 109 NH1 ARG A 7 -1.033 15.214 0.953 1.00 2.26 N ATOM 110 NH2 ARG A 7 0.666 16.597 0.281 1.00 3.37 N ATOM 0 H ARG A 7 2.487 11.756 -3.811 1.00 0.64 H new ATOM 0 HA ARG A 7 1.032 11.158 -1.302 1.00 0.56 H new ATOM 0 HB2 ARG A 7 1.055 13.593 -1.981 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.281 13.135 -3.485 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.688 12.320 -2.293 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -0.905 12.565 -0.744 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -1.819 14.667 -2.730 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -2.342 14.450 -1.072 1.00 0.71 H new ATOM 0 HE ARG A 7 0.179 15.715 -1.990 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -1.756 14.528 0.736 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -0.891 15.517 1.917 1.00 2.26 H new ATOM 0 HH21 ARG A 7 1.257 16.981 -0.456 1.00 3.37 H new ATOM 0 HH22 ARG A 7 0.800 16.893 1.248 1.00 3.37 H new ATOM 124 N HIS A 8 -0.562 9.663 -2.437 1.00 0.47 N ATOM 125 CA HIS A 8 -1.470 8.747 -3.112 1.00 0.46 C ATOM 126 C HIS A 8 -2.892 9.220 -2.895 1.00 0.39 C ATOM 127 O HIS A 8 -3.267 9.593 -1.788 1.00 0.39 O ATOM 128 CB HIS A 8 -1.215 7.281 -2.670 1.00 0.56 C ATOM 129 CG HIS A 8 -2.305 6.545 -1.916 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.626 5.227 -2.183 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.062 6.890 -0.845 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.521 4.801 -1.307 1.00 0.41 C ATOM 133 NE2 HIS A 8 -3.800 5.789 -0.488 1.00 0.76 N ATOM 0 H HIS A 8 -0.586 9.621 -1.418 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.288 8.750 -4.187 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.984 6.702 -3.564 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.321 7.275 -2.047 1.00 0.56 H new ATOM 0 HD1 HIS A 8 -2.233 4.668 -2.940 1.00 0.46 H new ATOM 0 HD2 HIS A 8 -3.081 7.855 -0.361 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -3.949 3.810 -1.271 1.00 0.41 H new ATOM 142 N SER A 9 -3.668 9.232 -3.958 1.00 0.42 N ATOM 143 CA SER A 9 -5.010 9.772 -3.903 1.00 0.40 C ATOM 144 C SER A 9 -5.945 8.957 -4.774 1.00 0.41 C ATOM 145 O SER A 9 -5.812 8.935 -5.999 1.00 0.53 O ATOM 146 CB SER A 9 -5.005 11.230 -4.365 1.00 0.52 C ATOM 147 OG SER A 9 -4.078 12.003 -3.613 1.00 1.28 O ATOM 0 H SER A 9 -3.392 8.873 -4.872 1.00 0.42 H new ATOM 0 HA SER A 9 -5.363 9.724 -2.873 1.00 0.40 H new ATOM 0 HB2 SER A 9 -4.749 11.278 -5.423 1.00 0.52 H new ATOM 0 HB3 SER A 9 -6.005 11.651 -4.259 1.00 0.52 H new ATOM 0 HG SER A 9 -4.093 12.931 -3.929 1.00 1.28 H new ATOM 153 N VAL A 10 -6.872 8.261 -4.140 1.00 0.35 N ATOM 154 CA VAL A 10 -7.876 7.510 -4.883 1.00 0.36 C ATOM 155 C VAL A 10 -9.265 7.901 -4.409 1.00 0.32 C ATOM 156 O VAL A 10 -9.478 8.143 -3.219 1.00 0.32 O ATOM 157 CB VAL A 10 -7.705 5.964 -4.769 1.00 0.45 C ATOM 158 CG1 VAL A 10 -6.240 5.563 -4.849 1.00 1.27 C ATOM 159 CG2 VAL A 10 -8.357 5.401 -3.516 1.00 1.18 C ATOM 0 H VAL A 10 -6.953 8.198 -3.125 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.740 7.767 -5.934 1.00 0.36 H new ATOM 0 HB VAL A 10 -8.224 5.527 -5.622 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -6.154 4.480 -4.766 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -5.825 5.888 -5.803 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -5.689 6.034 -4.035 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -8.210 4.321 -3.483 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -7.905 5.856 -2.635 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -9.424 5.622 -3.531 1.00 1.18 H new ATOM 169 N THR A 11 -10.189 8.013 -5.342 1.00 0.35 N ATOM 170 CA THR A 11 -11.579 8.187 -4.995 1.00 0.34 C ATOM 171 C THR A 11 -12.292 6.857 -5.177 1.00 0.33 C ATOM 172 O THR A 11 -12.414 6.355 -6.295 1.00 0.43 O ATOM 173 CB THR A 11 -12.238 9.269 -5.869 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.484 10.488 -5.782 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.672 9.520 -5.430 1.00 0.51 C ATOM 0 H THR A 11 -10.000 7.986 -6.344 1.00 0.35 H new ATOM 0 HA THR A 11 -11.653 8.514 -3.958 1.00 0.34 H new ATOM 0 HB THR A 11 -12.249 8.919 -6.901 1.00 0.46 H new ATOM 0 HG1 THR A 11 -11.905 11.174 -6.341 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.117 10.288 -6.062 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.247 8.598 -5.520 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.682 9.854 -4.392 1.00 0.51 H new ATOM 183 N VAL A 12 -12.763 6.293 -4.082 1.00 0.29 N ATOM 184 CA VAL A 12 -13.321 4.962 -4.101 1.00 0.35 C ATOM 185 C VAL A 12 -14.840 5.022 -4.053 1.00 0.32 C ATOM 186 O VAL A 12 -15.420 6.044 -3.670 1.00 0.36 O ATOM 187 CB VAL A 12 -12.758 4.108 -2.946 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.693 4.055 -1.748 1.00 0.91 C ATOM 189 CG2 VAL A 12 -12.442 2.718 -3.448 1.00 0.81 C ATOM 0 H VAL A 12 -12.769 6.741 -3.166 1.00 0.29 H new ATOM 0 HA VAL A 12 -13.030 4.482 -5.035 1.00 0.35 H new ATOM 0 HB VAL A 12 -11.842 4.585 -2.598 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.247 3.441 -0.965 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -13.856 5.064 -1.369 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -14.647 3.622 -2.050 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -12.045 2.117 -2.630 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -13.351 2.254 -3.831 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -11.702 2.779 -4.246 1.00 0.81 H new ATOM 199 N LYS A 13 -15.470 3.923 -4.428 1.00 0.34 N ATOM 200 CA LYS A 13 -16.905 3.898 -4.652 1.00 0.38 C ATOM 201 C LYS A 13 -17.593 2.802 -3.838 1.00 0.31 C ATOM 202 O LYS A 13 -18.574 2.209 -4.289 1.00 0.37 O ATOM 203 CB LYS A 13 -17.160 3.721 -6.151 1.00 0.58 C ATOM 204 CG LYS A 13 -16.224 2.720 -6.809 1.00 0.68 C ATOM 205 CD LYS A 13 -15.897 3.126 -8.234 1.00 0.97 C ATOM 206 CE LYS A 13 -14.817 2.239 -8.826 1.00 0.88 C ATOM 207 NZ LYS A 13 -14.523 2.572 -10.244 1.00 0.98 N ATOM 0 H LYS A 13 -15.006 3.029 -4.585 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.334 4.841 -4.314 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -18.190 3.397 -6.301 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -17.054 4.686 -6.646 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -15.304 2.644 -6.230 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -16.685 1.732 -6.807 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -16.796 3.066 -8.847 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -15.568 4.165 -8.252 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -13.906 2.338 -8.236 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -15.129 1.197 -8.758 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -13.780 1.939 -10.602 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -15.384 2.452 -10.814 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -14.199 3.558 -10.309 1.00 0.98 H new ATOM 221 N ALA A 14 -17.100 2.561 -2.624 1.00 0.29 N ATOM 222 CA ALA A 14 -17.737 1.592 -1.732 1.00 0.30 C ATOM 223 C ALA A 14 -17.438 1.879 -0.256 1.00 0.28 C ATOM 224 O ALA A 14 -17.431 0.960 0.569 1.00 0.31 O ATOM 225 CB ALA A 14 -17.312 0.180 -2.102 1.00 0.36 C ATOM 0 H ALA A 14 -16.273 3.016 -2.239 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.815 1.686 -1.862 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -17.793 -0.532 -1.431 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.609 -0.032 -3.129 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.229 0.090 -2.011 1.00 0.36 H new ATOM 231 N ASP A 15 -17.222 3.157 0.066 1.00 0.28 N ATOM 232 CA ASP A 15 -17.001 3.609 1.452 1.00 0.31 C ATOM 233 C ASP A 15 -15.590 3.269 1.956 1.00 0.28 C ATOM 234 O ASP A 15 -14.874 2.440 1.382 1.00 0.29 O ATOM 235 CB ASP A 15 -18.076 3.031 2.403 1.00 0.39 C ATOM 236 CG ASP A 15 -17.936 3.505 3.843 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.271 2.814 4.639 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.488 4.574 4.185 1.00 0.76 O ATOM 0 H ASP A 15 -17.194 3.910 -0.621 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.090 4.695 1.449 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.063 3.308 2.033 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.021 1.943 2.381 1.00 0.39 H new ATOM 243 N ARG A 16 -15.212 3.936 3.038 1.00 0.28 N ATOM 244 CA ARG A 16 -13.892 3.821 3.644 1.00 0.27 C ATOM 245 C ARG A 16 -13.661 2.417 4.183 1.00 0.28 C ATOM 246 O ARG A 16 -12.524 1.945 4.256 1.00 0.28 O ATOM 247 CB ARG A 16 -13.797 4.848 4.778 1.00 0.29 C ATOM 248 CG ARG A 16 -12.434 4.991 5.410 1.00 0.28 C ATOM 249 CD ARG A 16 -12.412 6.186 6.354 1.00 0.40 C ATOM 250 NE ARG A 16 -13.537 6.165 7.289 1.00 0.93 N ATOM 251 CZ ARG A 16 -13.689 7.017 8.306 1.00 1.32 C ATOM 252 NH1 ARG A 16 -12.756 7.922 8.574 1.00 1.37 N ATOM 253 NH2 ARG A 16 -14.774 6.954 9.070 1.00 1.88 N ATOM 0 H ARG A 16 -15.827 4.585 3.529 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.126 4.013 2.893 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.103 5.820 4.391 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.512 4.574 5.554 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.182 4.082 5.957 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.678 5.117 4.635 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.476 6.190 6.913 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.440 7.108 5.773 1.00 0.40 H new ATOM 0 HE ARG A 16 -14.254 5.452 7.155 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.914 7.971 8.001 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -12.881 8.568 9.353 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -15.492 6.255 8.880 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -14.889 7.605 9.847 1.00 1.88 H new ATOM 267 N LYS A 17 -14.751 1.761 4.551 1.00 0.33 N ATOM 268 CA LYS A 17 -14.704 0.413 5.090 1.00 0.39 C ATOM 269 C LYS A 17 -14.033 -0.541 4.107 1.00 0.35 C ATOM 270 O LYS A 17 -13.125 -1.288 4.473 1.00 0.37 O ATOM 271 CB LYS A 17 -16.125 -0.061 5.397 1.00 0.53 C ATOM 272 CG LYS A 17 -16.193 -1.396 6.121 1.00 1.34 C ATOM 273 CD LYS A 17 -17.630 -1.801 6.437 1.00 1.70 C ATOM 274 CE LYS A 17 -18.317 -0.810 7.372 1.00 2.46 C ATOM 275 NZ LYS A 17 -18.842 0.391 6.657 1.00 3.05 N ATOM 0 H LYS A 17 -15.692 2.149 4.484 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.116 0.421 6.008 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.625 0.694 6.003 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.680 -0.138 4.462 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -15.726 -2.166 5.507 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -15.621 -1.336 7.047 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -18.197 -1.875 5.509 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -17.635 -2.791 6.893 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -19.139 -1.310 7.884 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -17.611 -0.491 8.139 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -18.297 1.230 6.941 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -18.752 0.251 5.630 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -19.843 0.530 6.901 1.00 3.05 H new ATOM 289 N THR A 18 -14.463 -0.488 2.854 1.00 0.35 N ATOM 290 CA THR A 18 -13.932 -1.378 1.838 1.00 0.36 C ATOM 291 C THR A 18 -12.562 -0.913 1.367 1.00 0.33 C ATOM 292 O THR A 18 -11.688 -1.731 1.085 1.00 0.37 O ATOM 293 CB THR A 18 -14.874 -1.478 0.630 1.00 0.41 C ATOM 294 OG1 THR A 18 -15.134 -0.170 0.121 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.181 -2.156 1.010 1.00 0.80 C ATOM 0 H THR A 18 -15.176 0.161 2.520 1.00 0.35 H new ATOM 0 HA THR A 18 -13.841 -2.363 2.295 1.00 0.36 H new ATOM 0 HB THR A 18 -14.391 -2.082 -0.138 1.00 0.41 H new ATOM 0 HG1 THR A 18 -15.831 0.259 0.661 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.829 -2.213 0.135 1.00 0.80 H new ATOM 0 HG22 THR A 18 -15.976 -3.162 1.376 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.676 -1.579 1.791 1.00 0.80 H new ATOM 303 N ALA A 19 -12.371 0.404 1.285 1.00 0.29 N ATOM 304 CA ALA A 19 -11.077 0.947 0.893 1.00 0.29 C ATOM 305 C ALA A 19 -9.994 0.501 1.872 1.00 0.28 C ATOM 306 O ALA A 19 -8.887 0.158 1.468 1.00 0.32 O ATOM 307 CB ALA A 19 -11.124 2.466 0.781 1.00 0.31 C ATOM 0 H ALA A 19 -13.087 1.103 1.482 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.830 0.556 -0.094 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.143 2.840 0.487 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.861 2.753 0.031 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.401 2.893 1.745 1.00 0.31 H new ATOM 313 N PHE A 20 -10.330 0.479 3.156 1.00 0.25 N ATOM 314 CA PHE A 20 -9.415 -0.015 4.176 1.00 0.26 C ATOM 315 C PHE A 20 -9.260 -1.526 4.076 1.00 0.31 C ATOM 316 O PHE A 20 -8.140 -2.041 4.050 1.00 0.33 O ATOM 317 CB PHE A 20 -9.911 0.368 5.573 1.00 0.28 C ATOM 318 CG PHE A 20 -9.202 -0.349 6.694 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.930 0.032 7.085 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.816 -1.402 7.357 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.284 -0.625 8.116 1.00 0.37 C ATOM 322 CE2 PHE A 20 -9.174 -2.061 8.388 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.906 -1.671 8.768 1.00 0.38 C ATOM 0 H PHE A 20 -11.230 0.798 3.515 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.442 0.447 4.008 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.789 1.443 5.709 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.978 0.157 5.639 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.438 0.850 6.580 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.808 -1.711 7.063 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.291 -0.319 8.412 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.663 -2.879 8.895 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.401 -2.183 9.574 1.00 0.38 H new ATOM 333 N LYS A 21 -10.389 -2.231 4.019 1.00 0.35 N ATOM 334 CA LYS A 21 -10.376 -3.688 3.954 1.00 0.42 C ATOM 335 C LYS A 21 -9.516 -4.173 2.801 1.00 0.44 C ATOM 336 O LYS A 21 -8.607 -4.982 2.983 1.00 0.49 O ATOM 337 CB LYS A 21 -11.789 -4.240 3.773 1.00 0.49 C ATOM 338 CG LYS A 21 -11.808 -5.748 3.602 1.00 0.64 C ATOM 339 CD LYS A 21 -11.457 -6.439 4.908 1.00 1.24 C ATOM 340 CE LYS A 21 -11.376 -7.945 4.753 1.00 1.79 C ATOM 341 NZ LYS A 21 -11.243 -8.618 6.071 1.00 2.39 N ATOM 0 H LYS A 21 -11.321 -1.816 4.017 1.00 0.35 H new ATOM 0 HA LYS A 21 -9.961 -4.047 4.896 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.395 -3.968 4.637 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.249 -3.773 2.902 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -12.795 -6.069 3.268 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.099 -6.040 2.828 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -10.502 -6.061 5.272 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -12.206 -6.192 5.661 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -12.269 -8.309 4.245 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -10.524 -8.202 4.123 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -10.634 -9.455 5.973 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -10.819 -7.960 6.756 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -12.182 -8.911 6.408 1.00 2.39 H new ATOM 355 N THR A 22 -9.806 -3.655 1.623 1.00 0.43 N ATOM 356 CA THR A 22 -9.118 -4.063 0.421 1.00 0.48 C ATOM 357 C THR A 22 -7.640 -3.698 0.500 1.00 0.49 C ATOM 358 O THR A 22 -6.786 -4.529 0.222 1.00 0.68 O ATOM 359 CB THR A 22 -9.768 -3.422 -0.822 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.191 -3.596 -0.763 1.00 0.48 O ATOM 361 CG2 THR A 22 -9.245 -4.041 -2.106 1.00 0.58 C ATOM 0 H THR A 22 -10.522 -2.943 1.476 1.00 0.43 H new ATOM 0 HA THR A 22 -9.201 -5.146 0.330 1.00 0.48 H new ATOM 0 HB THR A 22 -9.515 -2.362 -0.824 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.597 -2.824 -0.317 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.725 -3.565 -2.961 1.00 0.58 H new ATOM 0 HG22 THR A 22 -8.167 -3.895 -2.167 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.468 -5.108 -2.113 1.00 0.58 H new ATOM 369 N PHE A 23 -7.344 -2.477 0.940 1.00 0.37 N ATOM 370 CA PHE A 23 -5.968 -1.984 0.966 1.00 0.38 C ATOM 371 C PHE A 23 -5.091 -2.791 1.919 1.00 0.38 C ATOM 372 O PHE A 23 -3.919 -3.035 1.632 1.00 0.43 O ATOM 373 CB PHE A 23 -5.939 -0.504 1.362 1.00 0.37 C ATOM 374 CG PHE A 23 -4.582 0.136 1.245 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.113 0.586 0.017 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.777 0.291 2.361 1.00 0.40 C ATOM 377 CE1 PHE A 23 -2.868 1.174 -0.090 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.530 0.878 2.258 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.076 1.320 1.031 1.00 0.48 C ATOM 0 H PHE A 23 -8.037 -1.812 1.283 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.564 -2.100 -0.040 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.642 0.043 0.734 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.287 -0.407 2.390 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.729 0.475 -0.863 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.128 -0.051 3.324 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.514 1.519 -1.050 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -1.911 0.991 3.136 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.102 1.780 0.949 1.00 0.48 H new ATOM 389 N LEU A 24 -5.647 -3.203 3.049 1.00 0.35 N ATOM 390 CA LEU A 24 -4.841 -3.864 4.061 1.00 0.37 C ATOM 391 C LEU A 24 -4.981 -5.385 4.018 1.00 0.39 C ATOM 392 O LEU A 24 -4.000 -6.098 3.815 1.00 0.48 O ATOM 393 CB LEU A 24 -5.200 -3.343 5.450 1.00 0.40 C ATOM 394 CG LEU A 24 -4.165 -3.666 6.521 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.821 -3.080 6.133 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.604 -3.135 7.872 1.00 0.44 C ATOM 0 H LEU A 24 -6.633 -3.094 3.284 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.799 -3.629 3.842 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.329 -2.262 5.399 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -6.160 -3.765 5.748 1.00 0.40 H new ATOM 0 HG LEU A 24 -4.071 -4.749 6.598 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -2.086 -3.315 6.903 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.499 -3.505 5.182 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.911 -1.998 6.034 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.850 -3.377 8.621 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.725 -2.053 7.816 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.553 -3.592 8.152 1.00 0.44 H new ATOM 408 N GLU A 25 -6.196 -5.889 4.199 1.00 0.40 N ATOM 409 CA GLU A 25 -6.403 -7.330 4.308 1.00 0.46 C ATOM 410 C GLU A 25 -6.626 -7.966 2.947 1.00 0.54 C ATOM 411 O GLU A 25 -6.459 -9.175 2.773 1.00 1.01 O ATOM 412 CB GLU A 25 -7.588 -7.637 5.211 1.00 0.51 C ATOM 413 CG GLU A 25 -7.434 -7.098 6.618 1.00 0.66 C ATOM 414 CD GLU A 25 -8.439 -7.706 7.560 1.00 0.91 C ATOM 415 OE1 GLU A 25 -8.099 -8.682 8.251 1.00 1.24 O ATOM 416 OE2 GLU A 25 -9.569 -7.191 7.626 1.00 1.18 O ATOM 0 H GLU A 25 -7.045 -5.329 4.273 1.00 0.40 H new ATOM 0 HA GLU A 25 -5.498 -7.753 4.743 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -8.491 -7.217 4.767 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -7.728 -8.717 5.258 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -6.426 -7.304 6.978 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -7.554 -6.015 6.608 1.00 0.66 H new ATOM 423 N GLY A 26 -6.994 -7.147 1.982 1.00 0.37 N ATOM 424 CA GLY A 26 -7.218 -7.642 0.638 1.00 0.45 C ATOM 425 C GLY A 26 -5.949 -7.595 -0.179 1.00 0.48 C ATOM 426 O GLY A 26 -5.983 -7.682 -1.401 1.00 0.83 O ATOM 0 H GLY A 26 -7.143 -6.145 2.101 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.588 -8.666 0.682 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -7.989 -7.045 0.151 1.00 0.45 H new ATOM 430 N PHE A 27 -4.829 -7.499 0.522 1.00 0.42 N ATOM 431 CA PHE A 27 -3.525 -7.282 -0.087 1.00 0.44 C ATOM 432 C PHE A 27 -3.245 -8.271 -1.234 1.00 0.47 C ATOM 433 O PHE A 27 -2.899 -7.846 -2.335 1.00 0.53 O ATOM 434 CB PHE A 27 -2.445 -7.374 1.001 1.00 0.48 C ATOM 435 CG PHE A 27 -1.145 -6.707 0.649 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.097 -5.352 0.365 1.00 0.57 C ATOM 437 CD2 PHE A 27 0.029 -7.441 0.594 1.00 0.63 C ATOM 438 CE1 PHE A 27 0.100 -4.742 0.032 1.00 0.65 C ATOM 439 CE2 PHE A 27 1.226 -6.836 0.262 1.00 0.74 C ATOM 440 CZ PHE A 27 1.256 -5.459 0.011 1.00 0.71 C ATOM 0 H PHE A 27 -4.799 -7.570 1.539 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.512 -6.288 -0.533 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.831 -6.927 1.917 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.253 -8.425 1.216 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -2.003 -4.765 0.404 1.00 0.57 H new ATOM 0 HD2 PHE A 27 0.008 -8.498 0.813 1.00 0.63 H new ATOM 0 HE1 PHE A 27 0.116 -3.690 -0.213 1.00 0.65 H new ATOM 0 HE2 PHE A 27 2.132 -7.421 0.197 1.00 0.74 H new ATOM 0 HZ PHE A 27 2.194 -4.967 -0.199 1.00 0.71 H new ATOM 450 N PRO A 28 -3.398 -9.598 -1.012 1.00 0.49 N ATOM 451 CA PRO A 28 -3.092 -10.608 -2.039 1.00 0.57 C ATOM 452 C PRO A 28 -4.232 -10.921 -3.020 1.00 0.59 C ATOM 453 O PRO A 28 -4.119 -11.859 -3.810 1.00 0.76 O ATOM 454 CB PRO A 28 -2.819 -11.833 -1.185 1.00 0.73 C ATOM 455 CG PRO A 28 -3.783 -11.704 -0.063 1.00 0.74 C ATOM 456 CD PRO A 28 -3.815 -10.238 0.261 1.00 0.52 C ATOM 0 HA PRO A 28 -2.286 -10.268 -2.689 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -2.978 -12.755 -1.745 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -1.789 -11.850 -0.828 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -4.771 -12.066 -0.349 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -3.465 -12.291 0.799 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.810 -9.915 0.566 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.135 -9.991 1.077 1.00 0.52 H new ATOM 464 N GLU A 29 -5.326 -10.168 -2.985 1.00 0.54 N ATOM 465 CA GLU A 29 -6.464 -10.496 -3.845 1.00 0.67 C ATOM 466 C GLU A 29 -6.666 -9.461 -4.943 1.00 0.69 C ATOM 467 O GLU A 29 -7.560 -9.602 -5.780 1.00 0.85 O ATOM 468 CB GLU A 29 -7.749 -10.636 -3.029 1.00 0.85 C ATOM 469 CG GLU A 29 -8.256 -9.328 -2.451 1.00 0.90 C ATOM 470 CD GLU A 29 -9.577 -9.498 -1.726 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.570 -10.014 -0.586 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.628 -9.137 -2.295 1.00 1.49 O ATOM 0 H GLU A 29 -5.452 -9.349 -2.390 1.00 0.54 H new ATOM 0 HA GLU A 29 -6.234 -11.452 -4.316 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -8.525 -11.067 -3.662 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -7.576 -11.339 -2.214 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.514 -8.925 -1.762 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.374 -8.600 -3.253 1.00 0.90 H new ATOM 479 N TRP A 30 -5.850 -8.423 -4.940 1.00 0.64 N ATOM 480 CA TRP A 30 -5.967 -7.378 -5.943 1.00 0.81 C ATOM 481 C TRP A 30 -5.593 -7.899 -7.324 1.00 0.66 C ATOM 482 O TRP A 30 -4.837 -8.858 -7.462 1.00 0.74 O ATOM 483 CB TRP A 30 -5.071 -6.183 -5.623 1.00 1.07 C ATOM 484 CG TRP A 30 -5.297 -5.569 -4.281 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.401 -5.692 -3.492 1.00 0.50 C ATOM 486 CD2 TRP A 30 -4.396 -4.705 -3.585 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.224 -4.985 -2.330 1.00 0.80 N ATOM 488 CE2 TRP A 30 -5.005 -4.364 -2.370 1.00 2.05 C ATOM 489 CE3 TRP A 30 -3.128 -4.193 -3.869 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -4.391 -3.536 -1.437 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -2.519 -3.368 -2.942 1.00 4.62 C ATOM 492 CH2 TRP A 30 -3.153 -3.045 -1.738 1.00 4.29 C ATOM 0 H TRP A 30 -5.104 -8.280 -4.260 1.00 0.64 H new ATOM 0 HA TRP A 30 -7.009 -7.059 -5.935 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -4.030 -6.499 -5.691 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -5.222 -5.419 -6.386 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -7.284 -6.261 -3.744 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -6.892 -4.931 -1.561 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -2.632 -4.437 -4.797 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -4.877 -3.289 -0.505 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -1.538 -2.967 -3.151 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -2.654 -2.396 -1.034 1.00 4.29 H new ATOM 503 N TRP A 31 -6.118 -7.238 -8.340 1.00 0.55 N ATOM 504 CA TRP A 31 -5.780 -7.535 -9.729 1.00 0.57 C ATOM 505 C TRP A 31 -4.383 -7.015 -10.132 1.00 0.60 C ATOM 506 O TRP A 31 -3.631 -7.739 -10.780 1.00 0.74 O ATOM 507 CB TRP A 31 -6.815 -6.912 -10.675 1.00 0.74 C ATOM 508 CG TRP A 31 -8.234 -7.257 -10.343 1.00 0.62 C ATOM 509 CD1 TRP A 31 -9.174 -6.428 -9.800 1.00 0.69 C ATOM 510 CD2 TRP A 31 -8.875 -8.523 -10.532 1.00 1.24 C ATOM 511 NE1 TRP A 31 -10.360 -7.102 -9.647 1.00 1.10 N ATOM 512 CE2 TRP A 31 -10.203 -8.389 -10.085 1.00 1.54 C ATOM 513 CE3 TRP A 31 -8.457 -9.756 -11.038 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -11.114 -9.440 -10.127 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -9.362 -10.799 -11.078 1.00 2.53 C ATOM 516 CH2 TRP A 31 -10.677 -10.634 -10.627 1.00 2.78 C ATOM 0 H TRP A 31 -6.791 -6.479 -8.230 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.778 -8.622 -9.814 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.702 -5.828 -10.656 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.602 -7.237 -11.693 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -9.009 -5.395 -9.531 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -11.220 -6.707 -9.268 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -7.445 -9.891 -11.391 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -12.128 -9.317 -9.777 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -9.050 -11.758 -11.464 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -11.361 -11.469 -10.675 1.00 2.78 H new ATOM 527 N PRO A 32 -4.003 -5.763 -9.747 1.00 0.71 N ATOM 528 CA PRO A 32 -2.879 -5.042 -10.379 1.00 0.84 C ATOM 529 C PRO A 32 -1.517 -5.733 -10.269 1.00 0.85 C ATOM 530 O PRO A 32 -1.114 -6.475 -11.161 1.00 1.36 O ATOM 531 CB PRO A 32 -2.847 -3.696 -9.645 1.00 1.01 C ATOM 532 CG PRO A 32 -3.561 -3.937 -8.360 1.00 0.92 C ATOM 533 CD PRO A 32 -4.607 -4.959 -8.666 1.00 0.87 C ATOM 0 HA PRO A 32 -3.043 -4.974 -11.454 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.823 -3.366 -9.471 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -3.338 -2.917 -10.229 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.876 -4.296 -7.592 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -4.010 -3.018 -7.983 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.838 -5.570 -7.793 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.540 -4.494 -8.985 1.00 0.87 H new ATOM 541 N ASN A 33 -0.804 -5.476 -9.182 1.00 0.53 N ATOM 542 CA ASN A 33 0.557 -5.968 -9.034 1.00 0.57 C ATOM 543 C ASN A 33 0.621 -7.037 -7.955 1.00 0.67 C ATOM 544 O ASN A 33 1.549 -7.844 -7.903 1.00 0.72 O ATOM 545 CB ASN A 33 1.479 -4.792 -8.686 1.00 0.60 C ATOM 546 CG ASN A 33 2.888 -5.217 -8.320 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.118 -5.426 -7.036 1.00 1.51 O flip ATOM 548 ND2 ASN A 33 3.761 -5.347 -9.177 1.00 0.76 N flip ATOM 0 H ASN A 33 -1.145 -4.930 -8.391 1.00 0.53 H new ATOM 0 HA ASN A 33 0.885 -6.418 -9.971 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.522 -4.111 -9.536 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.048 -4.236 -7.853 1.00 0.60 H new ATOM 0 HD21 ASN A 33 3.542 -5.176 -10.158 1.00 0.76 H new ATOM 0 HD22 ASN A 33 4.704 -5.626 -8.906 1.00 0.76 H new ATOM 555 N ASN A 34 -0.403 -7.067 -7.125 1.00 0.85 N ATOM 556 CA ASN A 34 -0.363 -7.861 -5.903 1.00 1.03 C ATOM 557 C ASN A 34 -1.118 -9.173 -6.050 1.00 1.40 C ATOM 558 O ASN A 34 -1.598 -9.738 -5.073 1.00 1.74 O ATOM 559 CB ASN A 34 -0.925 -7.047 -4.739 1.00 1.07 C ATOM 560 CG ASN A 34 -0.081 -5.823 -4.432 1.00 1.16 C ATOM 561 OD1 ASN A 34 0.572 -5.256 -5.310 1.00 1.79 O ATOM 562 ND2 ASN A 34 -0.086 -5.403 -3.185 1.00 1.47 N ATOM 0 H ASN A 34 -1.273 -6.554 -7.270 1.00 0.85 H new ATOM 0 HA ASN A 34 0.678 -8.112 -5.701 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -1.942 -6.734 -4.975 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -0.983 -7.678 -3.852 1.00 1.07 H new ATOM 0 HD21 ASN A 34 0.462 -4.584 -2.920 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -0.638 -5.896 -2.483 1.00 1.47 H new ATOM 569 N PHE A 35 -1.190 -9.672 -7.273 1.00 1.51 N ATOM 570 CA PHE A 35 -1.816 -10.962 -7.525 1.00 1.98 C ATOM 571 C PHE A 35 -0.734 -12.012 -7.777 1.00 2.03 C ATOM 572 O PHE A 35 -1.004 -13.121 -8.239 1.00 2.51 O ATOM 573 CB PHE A 35 -2.767 -10.863 -8.724 1.00 2.40 C ATOM 574 CG PHE A 35 -3.741 -12.007 -8.813 1.00 2.92 C ATOM 575 CD1 PHE A 35 -3.668 -12.921 -9.851 1.00 3.19 C ATOM 576 CD2 PHE A 35 -4.724 -12.169 -7.849 1.00 3.49 C ATOM 577 CE1 PHE A 35 -4.559 -13.975 -9.926 1.00 3.91 C ATOM 578 CE2 PHE A 35 -5.617 -13.219 -7.921 1.00 4.27 C ATOM 579 CZ PHE A 35 -5.534 -14.124 -8.959 1.00 4.45 C ATOM 0 H PHE A 35 -0.825 -9.207 -8.104 1.00 1.51 H new ATOM 0 HA PHE A 35 -2.399 -11.259 -6.653 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -3.322 -9.927 -8.661 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -2.180 -10.824 -9.641 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -2.907 -12.809 -10.609 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -4.792 -11.466 -7.032 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -4.493 -14.682 -10.740 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -6.380 -13.332 -7.165 1.00 4.27 H new ATOM 0 HZ PHE A 35 -6.230 -14.948 -9.015 1.00 4.45 H new ATOM 589 N ARG A 36 0.502 -11.653 -7.457 1.00 1.65 N ATOM 590 CA ARG A 36 1.640 -12.527 -7.703 1.00 1.75 C ATOM 591 C ARG A 36 2.129 -13.165 -6.411 1.00 1.59 C ATOM 592 O ARG A 36 2.431 -12.471 -5.435 1.00 1.48 O ATOM 593 CB ARG A 36 2.777 -11.745 -8.354 1.00 1.73 C ATOM 594 CG ARG A 36 2.415 -11.134 -9.697 1.00 1.84 C ATOM 595 CD ARG A 36 1.922 -12.190 -10.668 1.00 2.25 C ATOM 596 NE ARG A 36 1.715 -11.651 -12.008 1.00 2.72 N ATOM 597 CZ ARG A 36 1.375 -12.393 -13.057 1.00 3.34 C ATOM 598 NH1 ARG A 36 1.082 -13.680 -12.897 1.00 3.59 N ATOM 599 NH2 ARG A 36 1.301 -11.842 -14.258 1.00 4.14 N ATOM 0 H ARG A 36 0.742 -10.760 -7.026 1.00 1.65 H new ATOM 0 HA ARG A 36 1.315 -13.319 -8.378 1.00 1.75 H new ATOM 0 HB2 ARG A 36 3.092 -10.950 -7.678 1.00 1.73 H new ATOM 0 HB3 ARG A 36 3.632 -12.408 -8.486 1.00 1.73 H new ATOM 0 HG2 ARG A 36 1.644 -10.376 -9.558 1.00 1.84 H new ATOM 0 HG3 ARG A 36 3.286 -10.630 -10.116 1.00 1.84 H new ATOM 0 HD2 ARG A 36 2.644 -13.005 -10.713 1.00 2.25 H new ATOM 0 HD3 ARG A 36 0.987 -12.612 -10.299 1.00 2.25 H new ATOM 0 HE ARG A 36 1.838 -10.648 -12.148 1.00 2.72 H new ATOM 0 HH11 ARG A 36 1.118 -14.100 -11.968 1.00 3.59 H new ATOM 0 HH12 ARG A 36 0.821 -14.248 -13.703 1.00 3.59 H new ATOM 0 HH21 ARG A 36 1.505 -10.850 -14.377 1.00 4.14 H new ATOM 0 HH22 ARG A 36 1.040 -12.410 -15.064 1.00 4.14 H new ATOM 613 N THR A 37 2.260 -14.479 -6.427 1.00 1.75 N ATOM 614 CA THR A 37 2.621 -15.227 -5.238 1.00 1.72 C ATOM 615 C THR A 37 4.107 -15.073 -4.920 1.00 1.37 C ATOM 616 O THR A 37 4.945 -15.067 -5.820 1.00 1.37 O ATOM 617 CB THR A 37 2.267 -16.713 -5.419 1.00 2.19 C ATOM 618 OG1 THR A 37 2.539 -17.109 -6.771 1.00 2.53 O ATOM 619 CG2 THR A 37 0.803 -16.965 -5.096 1.00 2.68 C ATOM 0 H THR A 37 2.120 -15.054 -7.258 1.00 1.75 H new ATOM 0 HA THR A 37 2.053 -14.825 -4.399 1.00 1.72 H new ATOM 0 HB THR A 37 2.876 -17.301 -4.733 1.00 2.19 H new ATOM 0 HG1 THR A 37 2.315 -18.056 -6.886 1.00 2.53 H new ATOM 0 HG21 THR A 37 0.577 -18.023 -5.231 1.00 2.68 H new ATOM 0 HG22 THR A 37 0.604 -16.681 -4.063 1.00 2.68 H new ATOM 0 HG23 THR A 37 0.176 -16.372 -5.762 1.00 2.68 H new ATOM 627 N THR A 38 4.392 -14.889 -3.625 1.00 1.24 N ATOM 628 CA THR A 38 5.749 -14.675 -3.088 1.00 1.07 C ATOM 629 C THR A 38 6.458 -13.469 -3.717 1.00 1.09 C ATOM 630 O THR A 38 7.653 -13.259 -3.508 1.00 1.38 O ATOM 631 CB THR A 38 6.649 -15.935 -3.185 1.00 1.16 C ATOM 632 OG1 THR A 38 6.822 -16.362 -4.543 1.00 1.42 O ATOM 633 CG2 THR A 38 6.062 -17.075 -2.369 1.00 1.37 C ATOM 0 H THR A 38 3.672 -14.884 -2.902 1.00 1.24 H new ATOM 0 HA THR A 38 5.594 -14.459 -2.031 1.00 1.07 H new ATOM 0 HB THR A 38 7.625 -15.663 -2.784 1.00 1.16 H new ATOM 0 HG1 THR A 38 6.465 -15.679 -5.149 1.00 1.42 H new ATOM 0 HG21 THR A 38 6.707 -17.950 -2.449 1.00 1.37 H new ATOM 0 HG22 THR A 38 5.988 -16.774 -1.324 1.00 1.37 H new ATOM 0 HG23 THR A 38 5.070 -17.320 -2.747 1.00 1.37 H new ATOM 641 N LYS A 39 5.709 -12.661 -4.451 1.00 0.96 N ATOM 642 CA LYS A 39 6.225 -11.415 -4.997 1.00 1.09 C ATOM 643 C LYS A 39 5.763 -10.276 -4.113 1.00 1.22 C ATOM 644 O LYS A 39 6.552 -9.430 -3.692 1.00 1.97 O ATOM 645 CB LYS A 39 5.721 -11.195 -6.428 1.00 1.15 C ATOM 646 CG LYS A 39 6.135 -9.857 -7.028 1.00 1.49 C ATOM 647 CD LYS A 39 5.446 -9.604 -8.359 1.00 1.66 C ATOM 648 CE LYS A 39 5.920 -8.315 -9.005 1.00 2.28 C ATOM 649 NZ LYS A 39 5.293 -8.102 -10.335 1.00 2.90 N ATOM 0 H LYS A 39 4.734 -12.848 -4.684 1.00 0.96 H new ATOM 0 HA LYS A 39 7.314 -11.458 -5.025 1.00 1.09 H new ATOM 0 HB2 LYS A 39 6.096 -11.998 -7.062 1.00 1.15 H new ATOM 0 HB3 LYS A 39 4.633 -11.264 -6.435 1.00 1.15 H new ATOM 0 HG2 LYS A 39 5.890 -9.054 -6.332 1.00 1.49 H new ATOM 0 HG3 LYS A 39 7.216 -9.839 -7.168 1.00 1.49 H new ATOM 0 HD2 LYS A 39 5.638 -10.440 -9.032 1.00 1.66 H new ATOM 0 HD3 LYS A 39 4.368 -9.559 -8.207 1.00 1.66 H new ATOM 0 HE2 LYS A 39 5.685 -7.474 -8.353 1.00 2.28 H new ATOM 0 HE3 LYS A 39 7.004 -8.340 -9.114 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 5.641 -7.212 -10.745 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 5.538 -8.892 -10.965 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 4.260 -8.053 -10.228 1.00 2.90 H new ATOM 663 N VAL A 40 4.472 -10.293 -3.830 1.00 1.04 N ATOM 664 CA VAL A 40 3.843 -9.284 -2.999 1.00 1.22 C ATOM 665 C VAL A 40 2.378 -9.655 -2.743 1.00 1.42 C ATOM 666 O VAL A 40 1.658 -8.974 -2.017 1.00 1.83 O ATOM 667 CB VAL A 40 3.932 -7.896 -3.668 1.00 1.30 C ATOM 668 CG1 VAL A 40 3.115 -7.857 -4.949 1.00 1.78 C ATOM 669 CG2 VAL A 40 3.510 -6.801 -2.706 1.00 1.40 C ATOM 0 H VAL A 40 3.830 -11.009 -4.171 1.00 1.04 H new ATOM 0 HA VAL A 40 4.370 -9.241 -2.046 1.00 1.22 H new ATOM 0 HB VAL A 40 4.973 -7.715 -3.936 1.00 1.30 H new ATOM 0 HG11 VAL A 40 3.194 -6.868 -5.401 1.00 1.78 H new ATOM 0 HG12 VAL A 40 3.494 -8.606 -5.645 1.00 1.78 H new ATOM 0 HG13 VAL A 40 2.070 -8.069 -4.721 1.00 1.78 H new ATOM 0 HG21 VAL A 40 3.582 -5.833 -3.202 1.00 1.40 H new ATOM 0 HG22 VAL A 40 2.481 -6.971 -2.390 1.00 1.40 H new ATOM 0 HG23 VAL A 40 4.164 -6.811 -1.834 1.00 1.40 H new ATOM 679 N GLY A 41 1.948 -10.761 -3.336 1.00 1.42 N ATOM 680 CA GLY A 41 0.569 -11.172 -3.215 1.00 1.82 C ATOM 681 C GLY A 41 0.427 -12.603 -2.746 1.00 1.67 C ATOM 682 O GLY A 41 -0.323 -13.382 -3.328 1.00 2.17 O ATOM 0 H GLY A 41 2.533 -11.379 -3.898 1.00 1.42 H new ATOM 0 HA2 GLY A 41 0.057 -10.512 -2.515 1.00 1.82 H new ATOM 0 HA3 GLY A 41 0.074 -11.059 -4.180 1.00 1.82 H new ATOM 686 N ALA A 42 1.166 -12.962 -1.707 1.00 1.12 N ATOM 687 CA ALA A 42 0.964 -14.242 -1.050 1.00 1.00 C ATOM 688 C ALA A 42 -0.232 -14.110 -0.121 1.00 1.01 C ATOM 689 O ALA A 42 -0.564 -12.993 0.259 1.00 1.09 O ATOM 690 CB ALA A 42 2.206 -14.665 -0.284 1.00 0.80 C ATOM 0 H ALA A 42 1.906 -12.388 -1.303 1.00 1.12 H new ATOM 0 HA ALA A 42 0.774 -15.016 -1.794 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.027 -15.626 0.198 1.00 0.80 H new ATOM 0 HB2 ALA A 42 3.045 -14.756 -0.973 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.438 -13.917 0.474 1.00 0.80 H new ATOM 696 N PRO A 43 -0.887 -15.229 0.259 1.00 1.05 N ATOM 697 CA PRO A 43 -2.150 -15.222 1.037 1.00 1.15 C ATOM 698 C PRO A 43 -2.029 -14.644 2.459 1.00 1.08 C ATOM 699 O PRO A 43 -2.577 -15.197 3.414 1.00 1.40 O ATOM 700 CB PRO A 43 -2.529 -16.710 1.109 1.00 1.29 C ATOM 701 CG PRO A 43 -1.749 -17.364 0.023 1.00 1.48 C ATOM 702 CD PRO A 43 -0.465 -16.602 -0.059 1.00 1.11 C ATOM 0 HA PRO A 43 -2.887 -14.578 0.556 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -2.280 -17.133 2.082 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -3.600 -16.851 0.964 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -1.568 -18.415 0.248 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -2.288 -17.328 -0.924 1.00 1.48 H new ATOM 0 HD2 PRO A 43 0.273 -16.974 0.651 1.00 1.11 H new ATOM 0 HD3 PRO A 43 -0.016 -16.669 -1.050 1.00 1.11 H new ATOM 710 N LEU A 44 -1.342 -13.520 2.583 1.00 0.87 N ATOM 711 CA LEU A 44 -1.250 -12.791 3.836 1.00 0.85 C ATOM 712 C LEU A 44 -1.098 -11.300 3.554 1.00 0.81 C ATOM 713 O LEU A 44 -2.079 -10.555 3.559 1.00 1.24 O ATOM 714 CB LEU A 44 -0.081 -13.290 4.684 1.00 0.95 C ATOM 715 CG LEU A 44 0.199 -12.453 5.930 1.00 1.26 C ATOM 716 CD1 LEU A 44 -0.996 -12.469 6.871 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.440 -12.963 6.635 1.00 1.66 C ATOM 0 H LEU A 44 -0.831 -13.087 1.814 1.00 0.87 H new ATOM 0 HA LEU A 44 -2.167 -12.962 4.400 1.00 0.85 H new ATOM 0 HB2 LEU A 44 -0.282 -14.317 4.989 1.00 0.95 H new ATOM 0 HB3 LEU A 44 0.817 -13.311 4.066 1.00 0.95 H new ATOM 0 HG LEU A 44 0.372 -11.422 5.622 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.774 -11.866 7.752 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.867 -12.058 6.360 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -1.205 -13.494 7.176 1.00 1.75 H new ATOM 0 HD21 LEU A 44 1.629 -12.358 7.522 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.290 -14.002 6.929 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.294 -12.896 5.961 1.00 1.66 H new ATOM 729 N GLY A 45 0.135 -10.867 3.315 1.00 0.61 N ATOM 730 CA GLY A 45 0.376 -9.506 2.908 1.00 0.75 C ATOM 731 C GLY A 45 0.629 -8.584 4.074 1.00 0.61 C ATOM 732 O GLY A 45 1.630 -7.874 4.104 1.00 0.61 O ATOM 0 H GLY A 45 0.973 -11.443 3.398 1.00 0.61 H new ATOM 0 HA2 GLY A 45 1.234 -9.479 2.236 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.483 -9.143 2.343 1.00 0.75 H new ATOM 736 N VAL A 46 -0.276 -8.588 5.040 1.00 0.54 N ATOM 737 CA VAL A 46 -0.182 -7.680 6.171 1.00 0.45 C ATOM 738 C VAL A 46 -0.577 -8.364 7.474 1.00 0.47 C ATOM 739 O VAL A 46 -1.552 -9.116 7.526 1.00 0.60 O ATOM 740 CB VAL A 46 -1.084 -6.440 5.984 1.00 0.47 C ATOM 741 CG1 VAL A 46 -0.957 -5.508 7.177 1.00 0.52 C ATOM 742 CG2 VAL A 46 -0.755 -5.704 4.693 1.00 0.49 C ATOM 0 H VAL A 46 -1.084 -9.210 5.063 1.00 0.54 H new ATOM 0 HA VAL A 46 0.861 -7.369 6.222 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.116 -6.784 5.916 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -1.599 -4.639 7.030 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.259 -6.033 8.083 1.00 0.52 H new ATOM 0 HG13 VAL A 46 0.078 -5.182 7.275 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.408 -4.837 4.592 1.00 0.49 H new ATOM 0 HG22 VAL A 46 0.284 -5.375 4.716 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -0.905 -6.372 3.845 1.00 0.49 H new ATOM 752 N ASP A 47 0.181 -8.082 8.524 1.00 0.41 N ATOM 753 CA ASP A 47 -0.162 -8.528 9.859 1.00 0.49 C ATOM 754 C ASP A 47 -0.796 -7.376 10.612 1.00 0.52 C ATOM 755 O ASP A 47 -0.123 -6.407 10.970 1.00 0.57 O ATOM 756 CB ASP A 47 1.065 -9.033 10.618 1.00 0.58 C ATOM 757 CG ASP A 47 0.748 -9.336 12.069 1.00 0.79 C ATOM 758 OD1 ASP A 47 0.018 -10.315 12.325 1.00 1.11 O ATOM 759 OD2 ASP A 47 1.241 -8.614 12.954 1.00 0.95 O ATOM 0 H ASP A 47 1.044 -7.541 8.472 1.00 0.41 H new ATOM 0 HA ASP A 47 -0.862 -9.360 9.778 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.446 -9.932 10.134 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.856 -8.285 10.568 1.00 0.58 H new ATOM 764 N LYS A 48 -2.097 -7.479 10.804 1.00 0.63 N ATOM 765 CA LYS A 48 -2.884 -6.438 11.448 1.00 0.79 C ATOM 766 C LYS A 48 -2.748 -6.503 12.966 1.00 0.85 C ATOM 767 O LYS A 48 -3.206 -5.611 13.678 1.00 1.06 O ATOM 768 CB LYS A 48 -4.348 -6.594 11.040 1.00 1.01 C ATOM 769 CG LYS A 48 -4.911 -7.966 11.375 1.00 1.38 C ATOM 770 CD LYS A 48 -5.721 -8.544 10.226 1.00 1.34 C ATOM 771 CE LYS A 48 -4.878 -8.721 8.967 1.00 2.06 C ATOM 772 NZ LYS A 48 -5.571 -9.564 7.958 1.00 2.81 N ATOM 0 H LYS A 48 -2.643 -8.291 10.517 1.00 0.63 H new ATOM 0 HA LYS A 48 -2.513 -5.465 11.125 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.943 -5.830 11.541 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.442 -6.420 9.968 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -4.093 -8.644 11.619 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -5.540 -7.893 12.262 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -6.136 -9.507 10.523 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -6.563 -7.887 10.009 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -4.657 -7.744 8.536 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -3.923 -9.177 9.229 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -5.101 -9.459 7.036 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -5.534 -10.560 8.254 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -6.563 -9.263 7.877 1.00 2.81 H new ATOM 786 N LYS A 49 -2.134 -7.574 13.450 1.00 0.80 N ATOM 787 CA LYS A 49 -1.984 -7.794 14.874 1.00 0.97 C ATOM 788 C LYS A 49 -0.898 -6.887 15.449 1.00 1.14 C ATOM 789 O LYS A 49 -1.169 -6.039 16.298 1.00 1.32 O ATOM 790 CB LYS A 49 -1.644 -9.263 15.118 1.00 1.08 C ATOM 791 CG LYS A 49 -1.196 -9.559 16.533 1.00 1.35 C ATOM 792 CD LYS A 49 -0.782 -11.013 16.694 1.00 1.66 C ATOM 793 CE LYS A 49 0.392 -11.363 15.788 1.00 2.40 C ATOM 794 NZ LYS A 49 0.825 -12.773 15.959 1.00 3.17 N ATOM 0 H LYS A 49 -1.730 -8.308 12.868 1.00 0.80 H new ATOM 0 HA LYS A 49 -2.920 -7.551 15.378 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -2.519 -9.872 14.889 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -0.856 -9.564 14.427 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -0.360 -8.911 16.794 1.00 1.35 H new ATOM 0 HG3 LYS A 49 -2.005 -9.331 17.227 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -0.510 -11.202 17.733 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -1.627 -11.661 16.462 1.00 1.66 H new ATOM 0 HE2 LYS A 49 0.111 -11.193 14.749 1.00 2.40 H new ATOM 0 HE3 LYS A 49 1.228 -10.698 16.005 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 1.625 -12.970 15.325 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 1.118 -12.929 16.945 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 0.035 -13.409 15.727 1.00 3.17 H new ATOM 808 N GLY A 50 0.327 -7.069 14.979 1.00 1.22 N ATOM 809 CA GLY A 50 1.422 -6.241 15.438 1.00 1.53 C ATOM 810 C GLY A 50 1.624 -5.039 14.546 1.00 1.14 C ATOM 811 O GLY A 50 1.895 -3.937 15.023 1.00 1.29 O ATOM 0 H GLY A 50 0.582 -7.775 14.288 1.00 1.22 H new ATOM 0 HA2 GLY A 50 1.225 -5.909 16.457 1.00 1.53 H new ATOM 0 HA3 GLY A 50 2.338 -6.831 15.466 1.00 1.53 H new ATOM 815 N GLY A 51 1.483 -5.253 13.247 1.00 0.77 N ATOM 816 CA GLY A 51 1.606 -4.166 12.304 1.00 0.65 C ATOM 817 C GLY A 51 2.829 -4.292 11.419 1.00 0.56 C ATOM 818 O GLY A 51 3.798 -3.548 11.581 1.00 0.60 O ATOM 0 H GLY A 51 1.285 -6.163 12.830 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.713 -4.130 11.679 1.00 0.65 H new ATOM 0 HA3 GLY A 51 1.652 -3.223 12.848 1.00 0.65 H new ATOM 822 N ARG A 52 2.795 -5.231 10.481 1.00 0.51 N ATOM 823 CA ARG A 52 3.887 -5.376 9.521 1.00 0.53 C ATOM 824 C ARG A 52 3.401 -6.022 8.227 1.00 0.50 C ATOM 825 O ARG A 52 2.532 -6.887 8.246 1.00 0.60 O ATOM 826 CB ARG A 52 5.062 -6.179 10.110 1.00 0.68 C ATOM 827 CG ARG A 52 4.742 -7.624 10.469 1.00 1.04 C ATOM 828 CD ARG A 52 3.951 -7.735 11.762 1.00 1.42 C ATOM 829 NE ARG A 52 4.690 -7.222 12.911 1.00 2.14 N ATOM 830 CZ ARG A 52 4.497 -7.632 14.162 1.00 2.80 C ATOM 831 NH1 ARG A 52 3.515 -8.481 14.440 1.00 2.98 N ATOM 832 NH2 ARG A 52 5.262 -7.159 15.136 1.00 3.72 N ATOM 0 H ARG A 52 2.032 -5.898 10.363 1.00 0.51 H new ATOM 0 HA ARG A 52 4.247 -4.372 9.294 1.00 0.53 H new ATOM 0 HB2 ARG A 52 5.882 -6.172 9.392 1.00 0.68 H new ATOM 0 HB3 ARG A 52 5.418 -5.669 11.005 1.00 0.68 H new ATOM 0 HG2 ARG A 52 4.174 -8.080 9.658 1.00 1.04 H new ATOM 0 HG3 ARG A 52 5.671 -8.187 10.564 1.00 1.04 H new ATOM 0 HD2 ARG A 52 3.015 -7.186 11.661 1.00 1.42 H new ATOM 0 HD3 ARG A 52 3.691 -8.779 11.937 1.00 1.42 H new ATOM 0 HE ARG A 52 5.397 -6.506 12.745 1.00 2.14 H new ATOM 0 HH11 ARG A 52 2.907 -8.820 13.694 1.00 2.98 H new ATOM 0 HH12 ARG A 52 3.368 -8.794 15.399 1.00 2.98 H new ATOM 0 HH21 ARG A 52 5.996 -6.483 14.925 1.00 3.72 H new ATOM 0 HH22 ARG A 52 5.117 -7.471 16.096 1.00 3.72 H new ATOM 846 N TRP A 53 3.964 -5.587 7.108 1.00 0.52 N ATOM 847 CA TRP A 53 3.582 -6.102 5.795 1.00 0.53 C ATOM 848 C TRP A 53 4.536 -7.204 5.356 1.00 0.57 C ATOM 849 O TRP A 53 5.699 -6.933 5.062 1.00 0.73 O ATOM 850 CB TRP A 53 3.609 -4.985 4.744 1.00 0.65 C ATOM 851 CG TRP A 53 2.549 -3.935 4.907 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.890 -3.588 6.051 1.00 0.53 C ATOM 853 CD2 TRP A 53 2.036 -3.079 3.877 1.00 0.73 C ATOM 854 NE1 TRP A 53 0.997 -2.576 5.793 1.00 0.68 N ATOM 855 CE2 TRP A 53 1.067 -2.247 4.466 1.00 0.82 C ATOM 856 CE3 TRP A 53 2.303 -2.938 2.513 1.00 0.95 C ATOM 857 CZ2 TRP A 53 0.364 -1.291 3.740 1.00 1.11 C ATOM 858 CZ3 TRP A 53 1.606 -1.988 1.792 1.00 1.20 C ATOM 859 CH2 TRP A 53 0.645 -1.175 2.407 1.00 1.28 C ATOM 0 H TRP A 53 4.692 -4.873 7.081 1.00 0.52 H new ATOM 0 HA TRP A 53 2.571 -6.500 5.879 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.586 -4.502 4.774 1.00 0.65 H new ATOM 0 HB3 TRP A 53 3.506 -5.434 3.756 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.048 -4.043 7.018 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.381 -2.140 6.480 1.00 0.68 H new ATOM 0 HE3 TRP A 53 3.042 -3.561 2.031 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.377 -0.663 4.212 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 1.805 -1.870 0.737 1.00 1.20 H new ATOM 0 HH2 TRP A 53 0.116 -0.442 1.816 1.00 1.28 H new ATOM 870 N TYR A 54 4.052 -8.433 5.305 1.00 0.49 N ATOM 871 CA TYR A 54 4.873 -9.548 4.863 1.00 0.58 C ATOM 872 C TYR A 54 3.999 -10.656 4.288 1.00 0.49 C ATOM 873 O TYR A 54 2.821 -10.794 4.640 1.00 0.52 O ATOM 874 CB TYR A 54 5.758 -10.082 6.001 1.00 0.75 C ATOM 875 CG TYR A 54 5.024 -10.854 7.079 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.197 -12.224 7.230 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.142 -10.206 7.934 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.513 -12.925 8.204 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.454 -10.898 8.911 1.00 0.95 C ATOM 880 CZ TYR A 54 3.712 -12.285 9.072 1.00 1.20 C ATOM 881 OH TYR A 54 2.961 -12.955 10.019 1.00 1.66 O ATOM 0 H TYR A 54 3.098 -8.684 5.563 1.00 0.49 H new ATOM 0 HA TYR A 54 5.536 -9.186 4.077 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.524 -10.727 5.572 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.273 -9.241 6.465 1.00 0.75 H new ATOM 0 HD1 TYR A 54 5.877 -12.749 6.576 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.991 -9.141 7.833 1.00 0.61 H new ATOM 0 HE1 TYR A 54 4.623 -13.997 8.268 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.734 -10.395 9.540 1.00 0.95 H new ATOM 0 HH TYR A 54 2.450 -12.308 10.549 1.00 1.66 H new ATOM 891 N GLU A 55 4.570 -11.429 3.387 1.00 0.52 N ATOM 892 CA GLU A 55 3.838 -12.472 2.719 1.00 0.56 C ATOM 893 C GLU A 55 4.498 -13.807 3.010 1.00 0.62 C ATOM 894 O GLU A 55 5.710 -13.872 3.226 1.00 0.81 O ATOM 895 CB GLU A 55 3.787 -12.201 1.207 1.00 0.73 C ATOM 896 CG GLU A 55 3.438 -10.761 0.850 1.00 0.81 C ATOM 897 CD GLU A 55 4.664 -9.875 0.690 1.00 1.51 C ATOM 898 OE1 GLU A 55 4.697 -9.048 -0.243 1.00 1.94 O ATOM 899 OE2 GLU A 55 5.603 -9.998 1.492 1.00 2.12 O ATOM 0 H GLU A 55 5.546 -11.349 3.103 1.00 0.52 H new ATOM 0 HA GLU A 55 2.813 -12.496 3.088 1.00 0.56 H new ATOM 0 HB2 GLU A 55 4.754 -12.449 0.770 1.00 0.73 H new ATOM 0 HB3 GLU A 55 3.052 -12.866 0.753 1.00 0.73 H new ATOM 0 HG2 GLU A 55 2.866 -10.751 -0.078 1.00 0.81 H new ATOM 0 HG3 GLU A 55 2.795 -10.346 1.626 1.00 0.81 H new ATOM 906 N ILE A 56 3.712 -14.870 3.016 1.00 0.63 N ATOM 907 CA ILE A 56 4.235 -16.182 3.342 1.00 0.68 C ATOM 908 C ILE A 56 5.001 -16.743 2.155 1.00 0.70 C ATOM 909 O ILE A 56 4.410 -17.170 1.164 1.00 0.80 O ATOM 910 CB ILE A 56 3.110 -17.160 3.742 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.265 -16.578 4.882 1.00 0.90 C ATOM 912 CG2 ILE A 56 3.697 -18.505 4.146 1.00 0.92 C ATOM 913 CD1 ILE A 56 3.052 -16.288 6.145 1.00 0.90 C ATOM 0 H ILE A 56 2.715 -14.849 2.800 1.00 0.63 H new ATOM 0 HA ILE A 56 4.904 -16.070 4.195 1.00 0.68 H new ATOM 0 HB ILE A 56 2.461 -17.309 2.879 1.00 0.83 H new ATOM 0 HG12 ILE A 56 1.795 -15.656 4.539 1.00 0.90 H new ATOM 0 HG13 ILE A 56 1.462 -17.276 5.118 1.00 0.90 H new ATOM 0 HG21 ILE A 56 2.892 -19.184 4.425 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.252 -18.926 3.308 1.00 0.92 H new ATOM 0 HG23 ILE A 56 4.368 -18.369 4.994 1.00 0.92 H new ATOM 0 HD11 ILE A 56 2.385 -15.879 6.904 1.00 0.90 H new ATOM 0 HD12 ILE A 56 3.500 -17.211 6.515 1.00 0.90 H new ATOM 0 HD13 ILE A 56 3.838 -15.566 5.926 1.00 0.90 H new ATOM 925 N ASP A 57 6.320 -16.697 2.247 1.00 0.65 N ATOM 926 CA ASP A 57 7.171 -17.232 1.200 1.00 0.72 C ATOM 927 C ASP A 57 7.520 -18.675 1.530 1.00 0.76 C ATOM 928 O ASP A 57 7.661 -19.036 2.702 1.00 0.96 O ATOM 929 CB ASP A 57 8.434 -16.386 1.054 1.00 0.84 C ATOM 930 CG ASP A 57 9.142 -16.617 -0.267 1.00 1.35 C ATOM 931 OD1 ASP A 57 9.259 -15.664 -1.062 1.00 1.71 O ATOM 932 OD2 ASP A 57 9.574 -17.761 -0.515 1.00 1.97 O ATOM 0 H ASP A 57 6.824 -16.294 3.037 1.00 0.65 H new ATOM 0 HA ASP A 57 6.640 -17.202 0.248 1.00 0.72 H new ATOM 0 HB2 ASP A 57 8.173 -15.332 1.142 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.117 -16.615 1.873 1.00 0.84 H new ATOM 937 N GLU A 58 7.693 -19.488 0.501 1.00 0.87 N ATOM 938 CA GLU A 58 7.739 -20.934 0.666 1.00 1.01 C ATOM 939 C GLU A 58 9.031 -21.432 1.316 1.00 1.04 C ATOM 940 O GLU A 58 9.120 -22.607 1.673 1.00 1.17 O ATOM 941 CB GLU A 58 7.530 -21.633 -0.676 1.00 1.35 C ATOM 942 CG GLU A 58 8.539 -21.243 -1.741 1.00 1.54 C ATOM 943 CD GLU A 58 8.416 -22.093 -2.986 1.00 2.04 C ATOM 944 OE1 GLU A 58 7.806 -21.635 -3.972 1.00 2.43 O ATOM 945 OE2 GLU A 58 8.922 -23.236 -2.976 1.00 2.21 O ATOM 0 H GLU A 58 7.804 -19.171 -0.462 1.00 0.87 H new ATOM 0 HA GLU A 58 6.926 -21.186 1.347 1.00 1.01 H new ATOM 0 HB2 GLU A 58 7.577 -22.711 -0.523 1.00 1.35 H new ATOM 0 HB3 GLU A 58 6.528 -21.406 -1.040 1.00 1.35 H new ATOM 0 HG2 GLU A 58 8.399 -20.195 -2.004 1.00 1.54 H new ATOM 0 HG3 GLU A 58 9.547 -21.339 -1.336 1.00 1.54 H new ATOM 952 N GLN A 59 10.036 -20.573 1.471 1.00 1.10 N ATOM 953 CA GLN A 59 11.259 -21.005 2.145 1.00 1.36 C ATOM 954 C GLN A 59 11.197 -20.680 3.641 1.00 1.39 C ATOM 955 O GLN A 59 12.192 -20.796 4.359 1.00 1.70 O ATOM 956 CB GLN A 59 12.526 -20.410 1.497 1.00 1.60 C ATOM 957 CG GLN A 59 12.960 -19.048 2.022 1.00 1.69 C ATOM 958 CD GLN A 59 12.126 -17.911 1.490 1.00 1.62 C ATOM 959 OE1 GLN A 59 11.056 -17.593 2.193 1.00 2.39 O flip ATOM 960 NE2 GLN A 59 12.442 -17.322 0.458 1.00 1.40 N flip ATOM 0 H GLN A 59 10.032 -19.604 1.151 1.00 1.10 H new ATOM 0 HA GLN A 59 11.326 -22.087 2.030 1.00 1.36 H new ATOM 0 HB2 GLN A 59 13.348 -21.112 1.639 1.00 1.60 H new ATOM 0 HB3 GLN A 59 12.358 -20.328 0.423 1.00 1.60 H new ATOM 0 HG2 GLN A 59 12.905 -19.052 3.111 1.00 1.69 H new ATOM 0 HG3 GLN A 59 14.004 -18.879 1.756 1.00 1.69 H new ATOM 0 HE21 GLN A 59 13.279 -17.602 -0.053 1.00 1.40 H new ATOM 0 HE22 GLN A 59 11.867 -16.553 0.113 1.00 1.40 H new ATOM 969 N GLY A 60 10.018 -20.279 4.112 1.00 1.19 N ATOM 970 CA GLY A 60 9.825 -20.083 5.536 1.00 1.39 C ATOM 971 C GLY A 60 9.466 -18.659 5.918 1.00 1.45 C ATOM 972 O GLY A 60 10.102 -18.078 6.794 1.00 2.29 O ATOM 0 H GLY A 60 9.199 -20.088 3.535 1.00 1.19 H new ATOM 0 HA2 GLY A 60 9.036 -20.751 5.881 1.00 1.39 H new ATOM 0 HA3 GLY A 60 10.737 -20.370 6.059 1.00 1.39 H new ATOM 976 N GLU A 61 8.456 -18.094 5.251 1.00 1.11 N ATOM 977 CA GLU A 61 7.929 -16.765 5.599 1.00 1.15 C ATOM 978 C GLU A 61 9.001 -15.687 5.534 1.00 1.26 C ATOM 979 O GLU A 61 8.879 -14.633 6.159 1.00 1.72 O ATOM 980 CB GLU A 61 7.321 -16.779 7.002 1.00 1.33 C ATOM 981 CG GLU A 61 6.147 -17.724 7.163 1.00 1.38 C ATOM 982 CD GLU A 61 5.679 -17.804 8.599 1.00 1.69 C ATOM 983 OE1 GLU A 61 6.041 -18.777 9.293 1.00 1.77 O ATOM 984 OE2 GLU A 61 4.935 -16.904 9.034 1.00 2.31 O ATOM 0 H GLU A 61 7.983 -18.536 4.463 1.00 1.11 H new ATOM 0 HA GLU A 61 7.161 -16.530 4.862 1.00 1.15 H new ATOM 0 HB2 GLU A 61 8.095 -17.055 7.718 1.00 1.33 H new ATOM 0 HB3 GLU A 61 6.997 -15.769 7.255 1.00 1.33 H new ATOM 0 HG2 GLU A 61 5.324 -17.391 6.531 1.00 1.38 H new ATOM 0 HG3 GLU A 61 6.431 -18.718 6.818 1.00 1.38 H new ATOM 991 N GLU A 62 10.022 -15.928 4.746 1.00 1.06 N ATOM 992 CA GLU A 62 11.165 -15.047 4.719 1.00 1.20 C ATOM 993 C GLU A 62 10.973 -13.974 3.663 1.00 1.00 C ATOM 994 O GLU A 62 11.478 -14.074 2.546 1.00 1.08 O ATOM 995 CB GLU A 62 12.434 -15.845 4.455 1.00 1.54 C ATOM 996 CG GLU A 62 13.707 -15.061 4.701 1.00 1.98 C ATOM 997 CD GLU A 62 14.933 -15.773 4.179 1.00 2.16 C ATOM 998 OE1 GLU A 62 15.533 -16.565 4.936 1.00 2.61 O ATOM 999 OE2 GLU A 62 15.306 -15.547 3.009 1.00 2.56 O ATOM 0 H GLU A 62 10.085 -16.727 4.115 1.00 1.06 H new ATOM 0 HA GLU A 62 11.262 -14.559 5.689 1.00 1.20 H new ATOM 0 HB2 GLU A 62 12.435 -16.731 5.090 1.00 1.54 H new ATOM 0 HB3 GLU A 62 12.426 -16.193 3.422 1.00 1.54 H new ATOM 0 HG2 GLU A 62 13.627 -14.084 4.224 1.00 1.98 H new ATOM 0 HG3 GLU A 62 13.821 -14.885 5.771 1.00 1.98 H new ATOM 1006 N HIS A 63 10.172 -12.986 4.004 1.00 0.90 N ATOM 1007 CA HIS A 63 9.945 -11.857 3.135 1.00 0.85 C ATOM 1008 C HIS A 63 10.301 -10.574 3.861 1.00 0.92 C ATOM 1009 O HIS A 63 10.427 -10.565 5.084 1.00 1.22 O ATOM 1010 CB HIS A 63 8.486 -11.832 2.687 1.00 0.96 C ATOM 1011 CG HIS A 63 8.322 -11.856 1.202 1.00 1.85 C ATOM 1012 ND1 HIS A 63 7.975 -10.749 0.459 1.00 2.82 N ATOM 1013 CD2 HIS A 63 8.464 -12.867 0.320 1.00 2.22 C ATOM 1014 CE1 HIS A 63 7.914 -11.079 -0.818 1.00 3.72 C ATOM 1015 NE2 HIS A 63 8.206 -12.361 -0.927 1.00 3.37 N ATOM 0 H HIS A 63 9.664 -12.945 4.887 1.00 0.90 H new ATOM 0 HA HIS A 63 10.577 -11.947 2.252 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.967 -12.689 3.117 1.00 0.96 H new ATOM 0 HB3 HIS A 63 8.007 -10.937 3.084 1.00 0.96 H new ATOM 0 HD2 HIS A 63 8.732 -13.887 0.554 1.00 2.22 H new ATOM 0 HE1 HIS A 63 7.668 -10.414 -1.633 1.00 3.72 H new ATOM 0 HE2 HIS A 63 8.235 -12.890 -1.799 1.00 3.37 H new ATOM 1024 N THR A 64 10.485 -9.504 3.109 1.00 0.97 N ATOM 1025 CA THR A 64 10.661 -8.189 3.694 1.00 1.01 C ATOM 1026 C THR A 64 9.396 -7.799 4.455 1.00 1.50 C ATOM 1027 O THR A 64 8.295 -8.206 4.073 1.00 2.27 O ATOM 1028 CB THR A 64 10.960 -7.154 2.592 1.00 1.03 C ATOM 1029 OG1 THR A 64 10.119 -7.398 1.456 1.00 1.77 O ATOM 1030 CG2 THR A 64 12.416 -7.209 2.158 1.00 1.44 C ATOM 0 H THR A 64 10.516 -9.521 2.090 1.00 0.97 H new ATOM 0 HA THR A 64 11.503 -8.211 4.385 1.00 1.01 H new ATOM 0 HB THR A 64 10.760 -6.164 3.001 1.00 1.03 H new ATOM 0 HG1 THR A 64 9.249 -7.733 1.759 1.00 1.77 H new ATOM 0 HG21 THR A 64 12.592 -6.466 1.380 1.00 1.44 H new ATOM 0 HG22 THR A 64 13.059 -6.998 3.013 1.00 1.44 H new ATOM 0 HG23 THR A 64 12.643 -8.202 1.770 1.00 1.44 H new ATOM 1038 N PHE A 65 9.530 -7.025 5.522 1.00 1.66 N ATOM 1039 CA PHE A 65 8.365 -6.659 6.319 1.00 2.32 C ATOM 1040 C PHE A 65 8.169 -5.145 6.369 1.00 1.96 C ATOM 1041 O PHE A 65 9.056 -4.404 6.787 1.00 2.43 O ATOM 1042 CB PHE A 65 8.442 -7.257 7.737 1.00 3.26 C ATOM 1043 CG PHE A 65 9.649 -6.849 8.541 1.00 4.27 C ATOM 1044 CD1 PHE A 65 10.854 -7.522 8.404 1.00 4.99 C ATOM 1045 CD2 PHE A 65 9.577 -5.786 9.427 1.00 4.69 C ATOM 1046 CE1 PHE A 65 11.961 -7.144 9.140 1.00 6.10 C ATOM 1047 CE2 PHE A 65 10.680 -5.406 10.164 1.00 5.77 C ATOM 1048 CZ PHE A 65 11.876 -6.107 10.026 1.00 6.48 C ATOM 0 H PHE A 65 10.416 -6.643 5.853 1.00 1.66 H new ATOM 0 HA PHE A 65 7.491 -7.086 5.826 1.00 2.32 H new ATOM 0 HB2 PHE A 65 7.545 -6.967 8.285 1.00 3.26 H new ATOM 0 HB3 PHE A 65 8.429 -8.344 7.657 1.00 3.26 H new ATOM 0 HD1 PHE A 65 10.928 -8.350 7.715 1.00 4.99 H new ATOM 0 HD2 PHE A 65 8.647 -5.249 9.542 1.00 4.69 H new ATOM 0 HE1 PHE A 65 12.896 -7.670 9.015 1.00 6.10 H new ATOM 0 HE2 PHE A 65 10.616 -4.570 10.844 1.00 5.77 H new ATOM 0 HZ PHE A 65 12.736 -5.831 10.619 1.00 6.48 H new ATOM 1058 N GLY A 66 7.005 -4.695 5.900 1.00 1.23 N ATOM 1059 CA GLY A 66 6.658 -3.286 5.982 1.00 0.93 C ATOM 1060 C GLY A 66 6.412 -2.881 7.412 1.00 0.80 C ATOM 1061 O GLY A 66 5.926 -3.684 8.204 1.00 0.96 O ATOM 0 H GLY A 66 6.295 -5.284 5.464 1.00 1.23 H new ATOM 0 HA2 GLY A 66 7.463 -2.683 5.561 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.767 -3.090 5.385 1.00 0.93 H new ATOM 1065 N LEU A 67 6.718 -1.647 7.750 1.00 0.64 N ATOM 1066 CA LEU A 67 6.686 -1.233 9.141 1.00 0.65 C ATOM 1067 C LEU A 67 5.479 -0.355 9.427 1.00 0.51 C ATOM 1068 O LEU A 67 5.501 0.849 9.184 1.00 0.54 O ATOM 1069 CB LEU A 67 7.987 -0.513 9.531 1.00 0.76 C ATOM 1070 CG LEU A 67 8.472 0.571 8.561 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.303 1.605 9.297 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.301 -0.036 7.436 1.00 1.14 C ATOM 0 H LEU A 67 6.989 -0.918 7.091 1.00 0.64 H new ATOM 0 HA LEU A 67 6.598 -2.132 9.751 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.847 -0.059 10.512 1.00 0.76 H new ATOM 0 HB3 LEU A 67 8.775 -1.259 9.634 1.00 0.76 H new ATOM 0 HG LEU A 67 7.593 1.051 8.131 1.00 0.64 H new ATOM 0 HD11 LEU A 67 9.640 2.368 8.595 1.00 1.17 H new ATOM 0 HD12 LEU A 67 8.699 2.070 10.076 1.00 1.17 H new ATOM 0 HD13 LEU A 67 10.168 1.121 9.750 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.633 0.754 6.762 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.169 -0.543 7.857 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.694 -0.754 6.884 1.00 1.14 H new ATOM 1084 N ILE A 68 4.413 -0.958 9.937 1.00 0.43 N ATOM 1085 CA ILE A 68 3.222 -0.198 10.269 1.00 0.38 C ATOM 1086 C ILE A 68 3.434 0.555 11.574 1.00 0.45 C ATOM 1087 O ILE A 68 3.788 -0.028 12.597 1.00 0.61 O ATOM 1088 CB ILE A 68 1.954 -1.071 10.389 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.669 -1.804 9.075 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.769 -0.202 10.773 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.404 -2.641 9.109 1.00 0.44 C ATOM 0 H ILE A 68 4.351 -1.958 10.127 1.00 0.43 H new ATOM 0 HA ILE A 68 3.060 0.496 9.444 1.00 0.38 H new ATOM 0 HB ILE A 68 2.119 -1.819 11.164 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.589 -1.073 8.271 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.515 -2.449 8.837 1.00 0.38 H new ATOM 0 HG21 ILE A 68 -0.124 -0.821 10.857 1.00 0.46 H new ATOM 0 HG22 ILE A 68 0.967 0.281 11.730 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.613 0.559 10.008 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.266 -3.131 8.145 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.488 -3.396 9.891 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.452 -1.998 9.315 1.00 0.44 H new ATOM 1103 N ARG A 69 3.225 1.854 11.517 1.00 0.43 N ATOM 1104 CA ARG A 69 3.417 2.719 12.662 1.00 0.55 C ATOM 1105 C ARG A 69 2.081 2.948 13.367 1.00 0.51 C ATOM 1106 O ARG A 69 2.047 3.307 14.545 1.00 0.67 O ATOM 1107 CB ARG A 69 4.020 4.053 12.204 1.00 0.70 C ATOM 1108 CG ARG A 69 5.059 3.899 11.099 1.00 1.19 C ATOM 1109 CD ARG A 69 6.320 3.206 11.591 1.00 0.74 C ATOM 1110 NE ARG A 69 7.266 4.145 12.182 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.086 3.853 13.189 1.00 1.35 C ATOM 1112 NH1 ARG A 69 8.038 2.661 13.774 1.00 2.00 N ATOM 1113 NH2 ARG A 69 8.946 4.764 13.623 1.00 1.83 N ATOM 0 H ARG A 69 2.917 2.340 10.675 1.00 0.43 H new ATOM 0 HA ARG A 69 4.104 2.247 13.365 1.00 0.55 H new ATOM 0 HB2 ARG A 69 3.219 4.704 11.852 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.480 4.548 13.059 1.00 0.70 H new ATOM 0 HG2 ARG A 69 4.630 3.328 10.276 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.317 4.882 10.705 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.053 2.449 12.328 1.00 0.74 H new ATOM 0 HD3 ARG A 69 6.796 2.687 10.759 1.00 0.74 H new ATOM 0 HE ARG A 69 7.302 5.089 11.798 1.00 1.08 H new ATOM 0 HH11 ARG A 69 7.369 1.961 13.452 1.00 2.00 H new ATOM 0 HH12 ARG A 69 8.670 2.445 14.545 1.00 2.00 H new ATOM 0 HH21 ARG A 69 8.978 5.685 13.185 1.00 1.83 H new ATOM 0 HH22 ARG A 69 9.576 4.544 14.394 1.00 1.83 H new ATOM 1127 N LYS A 70 0.982 2.737 12.634 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.360 2.886 13.201 1.00 0.41 C ATOM 1129 C LYS A 70 -1.427 2.243 12.316 1.00 0.35 C ATOM 1130 O LYS A 70 -1.530 2.558 11.131 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.702 4.368 13.408 1.00 0.53 C ATOM 1132 CG LYS A 70 -2.138 4.599 13.867 1.00 0.62 C ATOM 1133 CD LYS A 70 -2.336 5.997 14.433 1.00 0.99 C ATOM 1134 CE LYS A 70 -2.548 7.039 13.344 1.00 1.08 C ATOM 1135 NZ LYS A 70 -3.922 6.978 12.770 1.00 1.53 N ATOM 0 H LYS A 70 0.996 2.464 11.651 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.355 2.373 14.163 1.00 0.41 H new ATOM 0 HB2 LYS A 70 -0.020 4.791 14.145 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.536 4.906 12.475 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.816 4.448 13.027 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -2.400 3.860 14.625 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -3.195 5.996 15.104 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -1.466 6.271 15.030 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -2.371 8.033 13.755 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -1.817 6.887 12.550 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -4.142 7.879 12.299 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -3.975 6.204 12.078 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -4.609 6.809 13.532 1.00 1.53 H new ATOM 1149 N VAL A 71 -2.210 1.344 12.902 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.405 0.814 12.253 1.00 0.36 C ATOM 1151 C VAL A 71 -4.635 1.366 12.966 1.00 0.37 C ATOM 1152 O VAL A 71 -4.917 0.987 14.102 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.464 -0.736 12.287 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.726 -1.237 11.599 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -2.234 -1.360 11.643 1.00 0.77 C ATOM 0 H VAL A 71 -2.037 0.964 13.833 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.376 1.121 11.207 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.484 -1.039 13.334 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.751 -2.326 11.632 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.602 -0.838 12.111 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.730 -0.906 10.561 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -2.312 -2.446 11.686 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -2.167 -1.042 10.603 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -1.341 -1.039 12.178 1.00 0.77 H new ATOM 1165 N ASP A 72 -5.351 2.279 12.327 1.00 0.33 N ATOM 1166 CA ASP A 72 -6.496 2.911 12.972 1.00 0.36 C ATOM 1167 C ASP A 72 -7.775 2.643 12.204 1.00 0.35 C ATOM 1168 O ASP A 72 -8.250 3.521 11.477 1.00 0.40 O ATOM 1169 CB ASP A 72 -6.291 4.419 13.104 1.00 0.41 C ATOM 1170 CG ASP A 72 -6.640 4.919 14.493 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -7.743 5.482 14.661 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -5.825 4.743 15.425 1.00 1.42 O ATOM 0 H ASP A 72 -5.165 2.597 11.376 1.00 0.33 H new ATOM 0 HA ASP A 72 -6.583 2.476 13.968 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -5.253 4.665 12.880 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.907 4.935 12.367 1.00 0.41 H new ATOM 1177 N GLU A 73 -8.287 1.409 12.350 1.00 0.38 N ATOM 1178 CA GLU A 73 -9.577 0.979 11.775 1.00 0.39 C ATOM 1179 C GLU A 73 -9.709 1.379 10.288 1.00 0.38 C ATOM 1180 O GLU A 73 -8.719 1.753 9.654 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.744 1.536 12.623 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.992 3.031 12.481 1.00 0.52 C ATOM 1183 CD GLU A 73 -12.219 3.487 13.237 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -12.078 3.933 14.397 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -13.334 3.405 12.676 1.00 0.92 O ATOM 0 H GLU A 73 -7.814 0.674 12.875 1.00 0.38 H new ATOM 0 HA GLU A 73 -9.617 -0.110 11.804 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.656 1.005 12.350 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -10.548 1.314 13.672 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -10.121 3.577 12.844 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -11.106 3.279 11.426 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.899 1.224 9.668 1.00 0.33 N ATOM 1193 CA PRO A 74 -11.170 1.848 8.375 1.00 0.32 C ATOM 1194 C PRO A 74 -11.132 3.368 8.480 1.00 0.31 C ATOM 1195 O PRO A 74 -12.166 4.015 8.638 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.579 1.362 8.006 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.805 0.156 8.852 1.00 0.36 C ATOM 1198 CD PRO A 74 -12.029 0.388 10.116 1.00 0.38 C ATOM 0 HA PRO A 74 -10.426 1.581 7.624 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.326 2.130 8.206 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.648 1.119 6.946 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.866 0.021 9.064 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.464 -0.746 8.345 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.631 0.895 10.871 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.687 -0.549 10.557 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.919 3.912 8.447 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.694 5.350 8.505 1.00 0.31 C ATOM 1208 C ASP A 75 -8.258 5.694 8.123 1.00 0.30 C ATOM 1209 O ASP A 75 -8.019 6.272 7.064 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.998 5.908 9.896 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.543 7.349 10.052 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.660 7.617 10.895 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.063 8.217 9.320 1.00 0.50 O ATOM 0 H ASP A 75 -9.062 3.364 8.379 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.375 5.809 7.788 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -11.070 5.846 10.084 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -9.506 5.291 10.648 1.00 0.34 H new ATOM 1218 N THR A 76 -7.299 5.328 8.969 1.00 0.28 N ATOM 1219 CA THR A 76 -5.912 5.706 8.729 1.00 0.29 C ATOM 1220 C THR A 76 -4.932 4.578 9.031 1.00 0.29 C ATOM 1221 O THR A 76 -5.085 3.839 10.006 1.00 0.35 O ATOM 1222 CB THR A 76 -5.512 6.948 9.550 1.00 0.32 C ATOM 1223 OG1 THR A 76 -6.097 6.890 10.856 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.930 8.231 8.846 1.00 0.35 C ATOM 0 H THR A 76 -7.454 4.778 9.814 1.00 0.28 H new ATOM 0 HA THR A 76 -5.853 5.936 7.665 1.00 0.29 H new ATOM 0 HB THR A 76 -4.426 6.952 9.646 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.935 7.399 10.862 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.635 9.090 9.449 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.444 8.287 7.872 1.00 0.35 H new ATOM 0 HG23 THR A 76 -7.012 8.237 8.712 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.921 4.457 8.180 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.852 3.492 8.374 1.00 0.31 C ATOM 1234 C LEU A 77 -1.519 4.169 8.099 1.00 0.33 C ATOM 1235 O LEU A 77 -1.268 4.614 6.982 1.00 0.41 O ATOM 1236 CB LEU A 77 -2.982 2.281 7.430 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.391 1.739 7.181 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.125 2.587 6.151 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -4.314 0.295 6.716 1.00 0.69 C ATOM 0 H LEU A 77 -3.821 5.025 7.338 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.915 3.133 9.401 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.550 2.555 6.467 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.374 1.471 7.833 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.949 1.784 8.116 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -6.124 2.182 5.991 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.203 3.612 6.513 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.574 2.575 5.211 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -5.320 -0.085 6.541 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.739 0.241 5.791 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.827 -0.308 7.482 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.678 4.267 9.109 1.00 0.32 N ATOM 1252 CA VAL A 78 0.655 4.810 8.918 1.00 0.36 C ATOM 1253 C VAL A 78 1.621 3.661 8.698 1.00 0.34 C ATOM 1254 O VAL A 78 1.846 2.861 9.599 1.00 0.36 O ATOM 1255 CB VAL A 78 1.121 5.656 10.125 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.454 6.331 9.824 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.064 6.685 10.503 1.00 0.67 C ATOM 0 H VAL A 78 -0.890 3.980 10.065 1.00 0.32 H new ATOM 0 HA VAL A 78 0.632 5.470 8.051 1.00 0.36 H new ATOM 0 HB VAL A 78 1.262 4.990 10.976 1.00 0.43 H new ATOM 0 HG11 VAL A 78 2.765 6.922 10.685 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.207 5.572 9.614 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.344 6.983 8.957 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.413 7.269 11.355 1.00 0.67 H new ATOM 0 HG22 VAL A 78 -0.117 7.349 9.657 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.862 6.175 10.768 1.00 0.67 H new ATOM 1267 N ILE A 79 2.150 3.555 7.493 1.00 0.35 N ATOM 1268 CA ILE A 79 3.003 2.432 7.126 1.00 0.39 C ATOM 1269 C ILE A 79 4.324 2.915 6.522 1.00 0.40 C ATOM 1270 O ILE A 79 4.333 3.710 5.591 1.00 0.43 O ATOM 1271 CB ILE A 79 2.255 1.471 6.150 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.201 0.793 5.154 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.151 2.196 5.404 1.00 0.52 C ATOM 1274 CD1 ILE A 79 4.030 -0.311 5.740 1.00 0.67 C ATOM 0 H ILE A 79 2.005 4.235 6.746 1.00 0.35 H new ATOM 0 HA ILE A 79 3.241 1.876 8.033 1.00 0.39 H new ATOM 0 HB ILE A 79 1.813 0.691 6.769 1.00 0.48 H new ATOM 0 HG12 ILE A 79 2.613 0.391 4.329 1.00 0.75 H new ATOM 0 HG13 ILE A 79 3.867 1.547 4.733 1.00 0.75 H new ATOM 0 HG21 ILE A 79 0.648 1.500 4.732 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.431 2.595 6.118 1.00 0.52 H new ATOM 0 HG23 ILE A 79 1.580 3.014 4.825 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.670 -0.735 4.966 1.00 0.67 H new ATOM 0 HD12 ILE A 79 4.648 0.086 6.545 1.00 0.67 H new ATOM 0 HD13 ILE A 79 3.375 -1.088 6.135 1.00 0.67 H new ATOM 1286 N GLY A 80 5.433 2.444 7.080 1.00 0.42 N ATOM 1287 CA GLY A 80 6.740 2.751 6.529 1.00 0.46 C ATOM 1288 C GLY A 80 7.099 1.790 5.416 1.00 0.46 C ATOM 1289 O GLY A 80 6.754 0.611 5.485 1.00 0.50 O ATOM 0 H GLY A 80 5.450 1.851 7.910 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.747 3.772 6.149 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.492 2.698 7.316 1.00 0.46 H new ATOM 1293 N TRP A 81 7.819 2.267 4.415 1.00 0.50 N ATOM 1294 CA TRP A 81 7.993 1.506 3.193 1.00 0.51 C ATOM 1295 C TRP A 81 8.946 0.328 3.374 1.00 0.53 C ATOM 1296 O TRP A 81 9.764 0.297 4.290 1.00 0.81 O ATOM 1297 CB TRP A 81 8.463 2.421 2.064 1.00 0.74 C ATOM 1298 CG TRP A 81 8.677 1.706 0.778 1.00 0.80 C ATOM 1299 CD1 TRP A 81 9.856 1.552 0.124 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.692 1.013 0.016 1.00 1.40 C ATOM 1301 NE1 TRP A 81 9.675 0.806 -1.010 1.00 0.88 N ATOM 1302 CE2 TRP A 81 8.345 0.468 -1.105 1.00 1.44 C ATOM 1303 CE3 TRP A 81 6.318 0.803 0.174 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 7.665 -0.268 -2.069 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 5.646 0.070 -0.782 1.00 2.78 C ATOM 1306 CH2 TRP A 81 6.319 -0.456 -1.891 1.00 2.79 C ATOM 0 H TRP A 81 8.289 3.172 4.425 1.00 0.50 H new ATOM 0 HA TRP A 81 7.023 1.086 2.928 1.00 0.51 H new ATOM 0 HB2 TRP A 81 7.726 3.210 1.915 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.393 2.905 2.362 1.00 0.74 H new ATOM 0 HD1 TRP A 81 10.801 1.959 0.451 1.00 0.74 H new ATOM 0 HE1 TRP A 81 10.404 0.545 -1.673 1.00 0.88 H new ATOM 0 HE3 TRP A 81 5.794 1.207 1.028 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 8.179 -0.677 -2.927 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 4.585 -0.101 -0.673 1.00 2.78 H new ATOM 0 HH2 TRP A 81 5.765 -1.023 -2.624 1.00 2.79 H new ATOM 1317 N ARG A 82 8.829 -0.615 2.456 1.00 0.54 N ATOM 1318 CA ARG A 82 9.519 -1.880 2.521 1.00 0.74 C ATOM 1319 C ARG A 82 10.106 -2.217 1.154 1.00 0.81 C ATOM 1320 O ARG A 82 11.312 -2.132 0.948 1.00 1.47 O ATOM 1321 CB ARG A 82 8.520 -2.954 2.944 1.00 1.06 C ATOM 1322 CG ARG A 82 9.056 -4.369 2.865 1.00 1.64 C ATOM 1323 CD ARG A 82 7.925 -5.381 2.895 1.00 2.68 C ATOM 1324 NE ARG A 82 7.237 -5.509 1.609 1.00 3.63 N ATOM 1325 CZ ARG A 82 6.528 -6.587 1.265 1.00 4.53 C ATOM 1326 NH1 ARG A 82 6.434 -7.611 2.101 1.00 4.80 N ATOM 1327 NH2 ARG A 82 5.924 -6.649 0.085 1.00 5.46 N ATOM 0 H ARG A 82 8.239 -0.516 1.630 1.00 0.54 H new ATOM 0 HA ARG A 82 10.333 -1.828 3.244 1.00 0.74 H new ATOM 0 HB2 ARG A 82 8.202 -2.755 3.967 1.00 1.06 H new ATOM 0 HB3 ARG A 82 7.634 -2.878 2.314 1.00 1.06 H new ATOM 0 HG2 ARG A 82 9.635 -4.492 1.950 1.00 1.64 H new ATOM 0 HG3 ARG A 82 9.735 -4.552 3.698 1.00 1.64 H new ATOM 0 HD2 ARG A 82 8.323 -6.353 3.186 1.00 2.68 H new ATOM 0 HD3 ARG A 82 7.204 -5.089 3.659 1.00 2.68 H new ATOM 0 HE ARG A 82 7.302 -4.738 0.944 1.00 3.63 H new ATOM 0 HH11 ARG A 82 6.903 -7.575 3.006 1.00 4.80 H new ATOM 0 HH12 ARG A 82 5.893 -8.435 1.839 1.00 4.80 H new ATOM 0 HH21 ARG A 82 5.999 -5.869 -0.568 1.00 5.46 H new ATOM 0 HH22 ARG A 82 5.385 -7.477 -0.169 1.00 5.46 H new ATOM 1341 N LEU A 83 9.215 -2.582 0.221 1.00 0.79 N ATOM 1342 CA LEU A 83 9.581 -2.932 -1.146 1.00 0.86 C ATOM 1343 C LEU A 83 8.368 -3.521 -1.865 1.00 0.81 C ATOM 1344 O LEU A 83 7.537 -4.189 -1.244 1.00 1.21 O ATOM 1345 CB LEU A 83 10.739 -3.943 -1.166 1.00 1.23 C ATOM 1346 CG LEU A 83 11.474 -4.103 -2.507 1.00 1.13 C ATOM 1347 CD1 LEU A 83 10.705 -4.997 -3.462 1.00 1.55 C ATOM 1348 CD2 LEU A 83 11.707 -2.748 -3.150 1.00 1.28 C ATOM 0 H LEU A 83 8.213 -2.641 0.402 1.00 0.79 H new ATOM 0 HA LEU A 83 9.910 -2.027 -1.658 1.00 0.86 H new ATOM 0 HB2 LEU A 83 11.466 -3.647 -0.410 1.00 1.23 H new ATOM 0 HB3 LEU A 83 10.349 -4.917 -0.870 1.00 1.23 H new ATOM 0 HG LEU A 83 12.435 -4.574 -2.298 1.00 1.13 H new ATOM 0 HD11 LEU A 83 11.255 -5.087 -4.399 1.00 1.55 H new ATOM 0 HD12 LEU A 83 10.582 -5.984 -3.017 1.00 1.55 H new ATOM 0 HD13 LEU A 83 9.724 -4.563 -3.657 1.00 1.55 H new ATOM 0 HD21 LEU A 83 12.228 -2.880 -4.098 1.00 1.28 H new ATOM 0 HD22 LEU A 83 10.749 -2.260 -3.328 1.00 1.28 H new ATOM 0 HD23 LEU A 83 12.312 -2.130 -2.487 1.00 1.28 H new ATOM 1360 N ASN A 84 8.261 -3.241 -3.159 1.00 0.76 N ATOM 1361 CA ASN A 84 7.263 -3.871 -4.016 1.00 1.00 C ATOM 1362 C ASN A 84 7.869 -4.131 -5.390 1.00 1.25 C ATOM 1363 O ASN A 84 8.718 -3.363 -5.850 1.00 1.93 O ATOM 1364 CB ASN A 84 6.010 -3.002 -4.168 1.00 1.26 C ATOM 1365 CG ASN A 84 4.942 -3.706 -4.986 1.00 1.08 C ATOM 1366 OD1 ASN A 84 4.837 -4.929 -4.955 1.00 1.81 O ATOM 1367 ND2 ASN A 84 4.159 -2.949 -5.741 1.00 0.94 N ATOM 0 H ASN A 84 8.861 -2.573 -3.642 1.00 0.76 H new ATOM 0 HA ASN A 84 6.964 -4.809 -3.548 1.00 1.00 H new ATOM 0 HB2 ASN A 84 5.613 -2.758 -3.183 1.00 1.26 H new ATOM 0 HB3 ASN A 84 6.275 -2.060 -4.647 1.00 1.26 H new ATOM 0 HD21 ASN A 84 3.440 -3.380 -6.322 1.00 0.94 H new ATOM 0 HD22 ASN A 84 4.276 -1.936 -5.741 1.00 0.94 H new ATOM 1374 N GLY A 85 7.444 -5.211 -6.030 1.00 1.69 N ATOM 1375 CA GLY A 85 7.969 -5.555 -7.337 1.00 2.21 C ATOM 1376 C GLY A 85 8.850 -6.784 -7.289 1.00 1.96 C ATOM 1377 O GLY A 85 9.140 -7.384 -8.324 1.00 2.40 O ATOM 0 H GLY A 85 6.743 -5.857 -5.667 1.00 1.69 H new ATOM 0 HA2 GLY A 85 7.142 -5.729 -8.026 1.00 2.21 H new ATOM 0 HA3 GLY A 85 8.541 -4.715 -7.731 1.00 2.21 H new ATOM 1381 N PHE A 86 9.264 -7.150 -6.073 1.00 1.79 N ATOM 1382 CA PHE A 86 10.135 -8.305 -5.824 1.00 2.29 C ATOM 1383 C PHE A 86 11.553 -8.047 -6.330 1.00 2.14 C ATOM 1384 O PHE A 86 12.499 -7.991 -5.543 1.00 2.77 O ATOM 1385 CB PHE A 86 9.561 -9.584 -6.450 1.00 3.16 C ATOM 1386 CG PHE A 86 10.326 -10.830 -6.096 1.00 3.79 C ATOM 1387 CD1 PHE A 86 10.184 -11.418 -4.849 1.00 4.45 C ATOM 1388 CD2 PHE A 86 11.188 -11.409 -7.012 1.00 4.03 C ATOM 1389 CE1 PHE A 86 10.888 -12.562 -4.523 1.00 5.26 C ATOM 1390 CE2 PHE A 86 11.895 -12.553 -6.692 1.00 4.80 C ATOM 1391 CZ PHE A 86 11.732 -13.135 -5.438 1.00 5.38 C ATOM 0 H PHE A 86 9.002 -6.649 -5.224 1.00 1.79 H new ATOM 0 HA PHE A 86 10.181 -8.451 -4.745 1.00 2.29 H new ATOM 0 HB2 PHE A 86 8.526 -9.701 -6.129 1.00 3.16 H new ATOM 0 HB3 PHE A 86 9.548 -9.473 -7.534 1.00 3.16 H new ATOM 0 HD1 PHE A 86 9.516 -10.977 -4.124 1.00 4.45 H new ATOM 0 HD2 PHE A 86 11.309 -10.962 -7.988 1.00 4.03 H new ATOM 0 HE1 PHE A 86 10.773 -13.005 -3.545 1.00 5.26 H new ATOM 0 HE2 PHE A 86 12.570 -12.993 -7.411 1.00 4.80 H new ATOM 0 HZ PHE A 86 12.270 -14.037 -5.187 1.00 5.38 H new ATOM 1401 N GLY A 87 11.695 -7.864 -7.635 1.00 1.90 N ATOM 1402 CA GLY A 87 12.997 -7.605 -8.221 1.00 2.08 C ATOM 1403 C GLY A 87 13.356 -6.133 -8.181 1.00 1.87 C ATOM 1404 O GLY A 87 13.839 -5.571 -9.164 1.00 2.30 O ATOM 0 H GLY A 87 10.926 -7.890 -8.304 1.00 1.90 H new ATOM 0 HA2 GLY A 87 13.755 -8.178 -7.687 1.00 2.08 H new ATOM 0 HA3 GLY A 87 13.005 -7.952 -9.254 1.00 2.08 H new ATOM 1408 N ARG A 88 13.112 -5.510 -7.038 1.00 1.33 N ATOM 1409 CA ARG A 88 13.398 -4.105 -6.851 1.00 1.18 C ATOM 1410 C ARG A 88 14.109 -3.916 -5.517 1.00 1.09 C ATOM 1411 O ARG A 88 13.837 -4.637 -4.558 1.00 1.21 O ATOM 1412 CB ARG A 88 12.091 -3.300 -6.905 1.00 0.98 C ATOM 1413 CG ARG A 88 12.284 -1.842 -7.287 1.00 1.64 C ATOM 1414 CD ARG A 88 12.580 -0.955 -6.090 1.00 2.32 C ATOM 1415 NE ARG A 88 11.359 -0.451 -5.460 1.00 3.00 N ATOM 1416 CZ ARG A 88 11.355 0.368 -4.405 1.00 3.96 C ATOM 1417 NH1 ARG A 88 12.496 0.707 -3.823 1.00 4.44 N ATOM 1418 NH2 ARG A 88 10.211 0.846 -3.931 1.00 4.77 N ATOM 0 H ARG A 88 12.711 -5.967 -6.219 1.00 1.33 H new ATOM 0 HA ARG A 88 14.049 -3.743 -7.647 1.00 1.18 H new ATOM 0 HB2 ARG A 88 11.417 -3.768 -7.622 1.00 0.98 H new ATOM 0 HB3 ARG A 88 11.604 -3.349 -5.931 1.00 0.98 H new ATOM 0 HG2 ARG A 88 13.102 -1.764 -8.003 1.00 1.64 H new ATOM 0 HG3 ARG A 88 11.386 -1.480 -7.788 1.00 1.64 H new ATOM 0 HD2 ARG A 88 13.159 -1.517 -5.358 1.00 2.32 H new ATOM 0 HD3 ARG A 88 13.197 -0.114 -6.407 1.00 2.32 H new ATOM 0 HE ARG A 88 10.461 -0.741 -5.848 1.00 3.00 H new ATOM 0 HH11 ARG A 88 13.379 0.342 -4.181 1.00 4.44 H new ATOM 0 HH12 ARG A 88 12.491 1.333 -3.017 1.00 4.44 H new ATOM 0 HH21 ARG A 88 9.329 0.588 -4.373 1.00 4.77 H new ATOM 0 HH22 ARG A 88 10.214 1.471 -3.125 1.00 4.77 H new ATOM 1432 N ILE A 89 15.041 -2.981 -5.470 1.00 1.08 N ATOM 1433 CA ILE A 89 15.797 -2.723 -4.256 1.00 1.08 C ATOM 1434 C ILE A 89 15.199 -1.561 -3.467 1.00 1.04 C ATOM 1435 O ILE A 89 14.888 -0.506 -4.026 1.00 1.15 O ATOM 1436 CB ILE A 89 17.293 -2.437 -4.585 1.00 1.29 C ATOM 1437 CG1 ILE A 89 18.137 -2.230 -3.307 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.424 -1.238 -5.519 1.00 1.11 C ATOM 1439 CD1 ILE A 89 18.009 -0.859 -2.656 1.00 1.70 C ATOM 0 H ILE A 89 15.293 -2.386 -6.259 1.00 1.08 H new ATOM 0 HA ILE A 89 15.741 -3.619 -3.638 1.00 1.08 H new ATOM 0 HB ILE A 89 17.685 -3.317 -5.094 1.00 1.29 H new ATOM 0 HG12 ILE A 89 17.853 -2.988 -2.577 1.00 1.86 H new ATOM 0 HG13 ILE A 89 19.185 -2.401 -3.552 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.477 -1.058 -5.734 1.00 1.11 H new ATOM 0 HG22 ILE A 89 16.893 -1.442 -6.449 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.995 -0.357 -5.042 1.00 1.11 H new ATOM 0 HD11 ILE A 89 18.640 -0.817 -1.768 1.00 1.70 H new ATOM 0 HD12 ILE A 89 18.324 -0.090 -3.362 1.00 1.70 H new ATOM 0 HD13 ILE A 89 16.971 -0.687 -2.371 1.00 1.70 H new ATOM 1451 N ASP A 90 15.022 -1.777 -2.170 1.00 1.05 N ATOM 1452 CA ASP A 90 14.731 -0.697 -1.236 1.00 1.15 C ATOM 1453 C ASP A 90 15.434 -0.994 0.078 1.00 1.01 C ATOM 1454 O ASP A 90 15.454 -2.146 0.514 1.00 1.14 O ATOM 1455 CB ASP A 90 13.231 -0.537 -0.996 1.00 1.54 C ATOM 1456 CG ASP A 90 12.883 0.859 -0.525 1.00 2.36 C ATOM 1457 OD1 ASP A 90 13.039 1.121 0.692 1.00 2.64 O ATOM 1458 OD2 ASP A 90 12.451 1.688 -1.354 1.00 3.18 O ATOM 0 H ASP A 90 15.076 -2.699 -1.738 1.00 1.05 H new ATOM 0 HA ASP A 90 15.091 0.239 -1.664 1.00 1.15 H new ATOM 0 HB2 ASP A 90 12.690 -0.755 -1.917 1.00 1.54 H new ATOM 0 HB3 ASP A 90 12.902 -1.264 -0.253 1.00 1.54 H new ATOM 1463 N PRO A 91 16.060 0.017 0.702 1.00 1.32 N ATOM 1464 CA PRO A 91 16.771 -0.159 1.970 1.00 1.52 C ATOM 1465 C PRO A 91 15.872 -0.683 3.080 1.00 1.24 C ATOM 1466 O PRO A 91 16.360 -1.320 4.017 1.00 1.58 O ATOM 1467 CB PRO A 91 17.274 1.243 2.316 1.00 2.16 C ATOM 1468 CG PRO A 91 17.277 1.975 1.019 1.00 2.36 C ATOM 1469 CD PRO A 91 16.142 1.403 0.218 1.00 1.92 C ATOM 0 HA PRO A 91 17.567 -0.897 1.874 1.00 1.52 H new ATOM 0 HB2 PRO A 91 16.623 1.729 3.043 1.00 2.16 H new ATOM 0 HB3 PRO A 91 18.272 1.209 2.754 1.00 2.16 H new ATOM 0 HG2 PRO A 91 17.144 3.046 1.175 1.00 2.36 H new ATOM 0 HG3 PRO A 91 18.226 1.844 0.499 1.00 2.36 H new ATOM 0 HD2 PRO A 91 15.213 1.946 0.390 1.00 1.92 H new ATOM 0 HD3 PRO A 91 16.342 1.445 -0.853 1.00 1.92 H new ATOM 1477 N ASP A 92 14.566 -0.419 2.966 1.00 1.06 N ATOM 1478 CA ASP A 92 13.593 -0.870 3.958 1.00 1.34 C ATOM 1479 C ASP A 92 13.976 -0.354 5.343 1.00 1.18 C ATOM 1480 O ASP A 92 14.525 -1.084 6.170 1.00 1.61 O ATOM 1481 CB ASP A 92 13.492 -2.403 3.937 1.00 1.93 C ATOM 1482 CG ASP A 92 12.626 -2.975 5.046 1.00 2.60 C ATOM 1483 OD1 ASP A 92 11.410 -2.722 5.056 1.00 2.98 O ATOM 1484 OD2 ASP A 92 13.167 -3.708 5.902 1.00 2.99 O ATOM 0 H ASP A 92 14.160 0.107 2.192 1.00 1.06 H new ATOM 0 HA ASP A 92 12.612 -0.465 3.711 1.00 1.34 H new ATOM 0 HB2 ASP A 92 13.089 -2.718 2.975 1.00 1.93 H new ATOM 0 HB3 ASP A 92 14.494 -2.825 4.017 1.00 1.93 H new ATOM 1489 N ASN A 93 13.736 0.934 5.566 1.00 1.06 N ATOM 1490 CA ASN A 93 14.128 1.588 6.813 1.00 1.26 C ATOM 1491 C ASN A 93 12.995 2.448 7.350 1.00 1.04 C ATOM 1492 O ASN A 93 12.335 2.090 8.322 1.00 1.49 O ATOM 1493 CB ASN A 93 15.370 2.470 6.614 1.00 1.65 C ATOM 1494 CG ASN A 93 16.643 1.690 6.327 1.00 2.22 C ATOM 1495 OD1 ASN A 93 16.740 0.480 6.852 1.00 3.06 O flip ATOM 1496 ND2 ASN A 93 17.542 2.182 5.639 1.00 2.21 N flip ATOM 0 H ASN A 93 13.271 1.549 4.898 1.00 1.06 H new ATOM 0 HA ASN A 93 14.361 0.800 7.529 1.00 1.26 H new ATOM 0 HB2 ASN A 93 15.185 3.159 5.790 1.00 1.65 H new ATOM 0 HB3 ASN A 93 15.521 3.075 7.508 1.00 1.65 H new ATOM 0 HD21 ASN A 93 17.432 3.119 5.250 1.00 2.21 H new ATOM 0 HD22 ASN A 93 18.395 1.652 5.459 1.00 2.21 H new ATOM 1503 N SER A 94 12.788 3.596 6.719 1.00 0.68 N ATOM 1504 CA SER A 94 11.733 4.510 7.120 1.00 0.77 C ATOM 1505 C SER A 94 10.669 4.603 6.032 1.00 0.72 C ATOM 1506 O SER A 94 9.796 3.746 5.939 1.00 1.22 O ATOM 1507 CB SER A 94 12.323 5.893 7.415 1.00 1.19 C ATOM 1508 OG SER A 94 13.207 5.844 8.521 1.00 1.85 O ATOM 0 H SER A 94 13.341 3.915 5.924 1.00 0.68 H new ATOM 0 HA SER A 94 11.263 4.130 8.027 1.00 0.77 H new ATOM 0 HB2 SER A 94 12.854 6.260 6.537 1.00 1.19 H new ATOM 0 HB3 SER A 94 11.518 6.599 7.619 1.00 1.19 H new ATOM 0 HG SER A 94 13.572 6.738 8.688 1.00 1.85 H new ATOM 1514 N SER A 95 10.767 5.647 5.208 1.00 0.60 N ATOM 1515 CA SER A 95 9.889 5.823 4.055 1.00 0.67 C ATOM 1516 C SER A 95 8.409 5.685 4.431 1.00 0.70 C ATOM 1517 O SER A 95 7.614 5.147 3.665 1.00 1.27 O ATOM 1518 CB SER A 95 10.260 4.793 2.991 1.00 0.93 C ATOM 1519 OG SER A 95 11.650 4.798 2.742 1.00 1.44 O ATOM 0 H SER A 95 11.455 6.391 5.322 1.00 0.60 H new ATOM 0 HA SER A 95 10.027 6.833 3.669 1.00 0.67 H new ATOM 0 HB2 SER A 95 9.949 3.800 3.317 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.721 5.008 2.068 1.00 0.93 H new ATOM 0 HG SER A 95 11.862 4.129 2.058 1.00 1.44 H new ATOM 1525 N GLU A 96 8.050 6.189 5.601 1.00 0.48 N ATOM 1526 CA GLU A 96 6.685 6.091 6.104 1.00 0.45 C ATOM 1527 C GLU A 96 5.704 6.827 5.197 1.00 0.45 C ATOM 1528 O GLU A 96 6.037 7.861 4.613 1.00 0.60 O ATOM 1529 CB GLU A 96 6.609 6.675 7.515 1.00 0.56 C ATOM 1530 CG GLU A 96 7.566 6.027 8.500 1.00 1.11 C ATOM 1531 CD GLU A 96 7.751 6.860 9.749 1.00 1.30 C ATOM 1532 OE1 GLU A 96 8.330 7.962 9.650 1.00 1.81 O ATOM 1533 OE2 GLU A 96 7.326 6.421 10.835 1.00 1.33 O ATOM 0 H GLU A 96 8.691 6.676 6.227 1.00 0.48 H new ATOM 0 HA GLU A 96 6.410 5.037 6.123 1.00 0.45 H new ATOM 0 HB2 GLU A 96 6.820 7.743 7.468 1.00 0.56 H new ATOM 0 HB3 GLU A 96 5.591 6.567 7.888 1.00 0.56 H new ATOM 0 HG2 GLU A 96 7.190 5.042 8.775 1.00 1.11 H new ATOM 0 HG3 GLU A 96 8.533 5.876 8.019 1.00 1.11 H new ATOM 1540 N PHE A 97 4.517 6.261 5.048 1.00 0.39 N ATOM 1541 CA PHE A 97 3.425 6.941 4.374 1.00 0.40 C ATOM 1542 C PHE A 97 2.123 6.758 5.138 1.00 0.41 C ATOM 1543 O PHE A 97 1.741 5.641 5.490 1.00 0.53 O ATOM 1544 CB PHE A 97 3.275 6.483 2.913 1.00 0.51 C ATOM 1545 CG PHE A 97 3.437 5.005 2.682 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.701 4.447 2.596 1.00 0.46 C ATOM 1547 CD2 PHE A 97 2.333 4.179 2.531 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.870 3.101 2.367 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.496 2.825 2.301 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.766 2.285 2.219 1.00 0.63 C ATOM 0 H PHE A 97 4.286 5.327 5.387 1.00 0.39 H new ATOM 0 HA PHE A 97 3.667 8.004 4.354 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.291 6.784 2.554 1.00 0.51 H new ATOM 0 HB3 PHE A 97 4.011 7.011 2.307 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.569 5.079 2.711 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.339 4.596 2.593 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.864 2.684 2.303 1.00 0.53 H new ATOM 0 HE2 PHE A 97 1.631 2.189 2.185 1.00 0.64 H new ATOM 0 HZ PHE A 97 3.894 1.228 2.040 1.00 0.63 H new ATOM 1560 N THR A 98 1.467 7.870 5.420 1.00 0.35 N ATOM 1561 CA THR A 98 0.214 7.859 6.152 1.00 0.36 C ATOM 1562 C THR A 98 -0.969 7.771 5.194 1.00 0.33 C ATOM 1563 O THR A 98 -1.199 8.684 4.400 1.00 0.36 O ATOM 1564 CB THR A 98 0.064 9.129 7.010 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.229 9.311 7.825 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.170 9.045 7.894 1.00 0.40 C ATOM 0 H THR A 98 1.786 8.800 5.150 1.00 0.35 H new ATOM 0 HA THR A 98 0.225 6.984 6.802 1.00 0.36 H new ATOM 0 HB THR A 98 -0.047 9.981 6.339 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.126 10.122 8.366 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.253 9.954 8.490 1.00 0.40 H new ATOM 0 HG22 THR A 98 -2.058 8.937 7.271 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.085 8.183 8.556 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.707 6.671 5.263 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.902 6.503 4.454 1.00 0.35 C ATOM 1576 C VAL A 99 -4.100 7.118 5.166 1.00 0.31 C ATOM 1577 O VAL A 99 -4.550 6.604 6.188 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.200 5.013 4.166 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.442 4.875 3.308 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -2.025 4.331 3.485 1.00 0.87 C ATOM 0 H VAL A 99 -1.497 5.881 5.873 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.724 7.007 3.504 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.370 4.523 5.125 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.636 3.820 3.116 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.294 5.312 3.829 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.290 5.394 2.362 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.270 3.285 3.298 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.814 4.829 2.539 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -1.148 4.389 4.129 1.00 0.87 H new ATOM 1590 N THR A 100 -4.599 8.221 4.633 1.00 0.31 N ATOM 1591 CA THR A 100 -5.759 8.885 5.208 1.00 0.30 C ATOM 1592 C THR A 100 -6.987 8.689 4.325 1.00 0.26 C ATOM 1593 O THR A 100 -7.086 9.277 3.249 1.00 0.28 O ATOM 1594 CB THR A 100 -5.503 10.397 5.390 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.275 10.606 6.102 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.649 11.051 6.148 1.00 0.36 C ATOM 0 H THR A 100 -4.219 8.676 3.803 1.00 0.31 H new ATOM 0 HA THR A 100 -5.939 8.435 6.185 1.00 0.30 H new ATOM 0 HB THR A 100 -5.432 10.852 4.402 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.120 11.567 6.211 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.447 12.116 6.265 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.577 10.916 5.592 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.745 10.590 7.131 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.909 7.845 4.770 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.151 7.622 4.042 1.00 0.24 C ATOM 1606 C PHE A 101 -10.210 8.629 4.479 1.00 0.25 C ATOM 1607 O PHE A 101 -10.610 8.647 5.641 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.683 6.205 4.282 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.902 5.104 3.623 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.825 5.018 2.241 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.231 4.166 4.386 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.091 4.013 1.638 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.499 3.159 3.788 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.485 3.051 2.397 1.00 0.29 C ATOM 0 H PHE A 101 -7.820 7.304 5.630 1.00 0.25 H new ATOM 0 HA PHE A 101 -8.938 7.747 2.980 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.704 6.020 5.356 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.714 6.157 3.930 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.343 5.743 1.630 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -8.280 4.222 5.463 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -7.996 3.988 0.562 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.941 2.460 4.393 1.00 0.31 H new ATOM 0 HZ PHE A 101 -6.998 2.212 1.922 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.663 9.457 3.554 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.701 10.433 3.861 1.00 0.31 C ATOM 1626 C VAL A 102 -13.077 9.850 3.564 1.00 0.30 C ATOM 1627 O VAL A 102 -13.417 9.598 2.404 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.510 11.745 3.070 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.601 12.747 3.412 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -10.133 12.337 3.342 1.00 0.54 C ATOM 0 H VAL A 102 -10.333 9.476 2.589 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.623 10.667 4.923 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.583 11.515 2.007 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.445 13.663 2.842 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.574 12.325 3.161 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.567 12.972 4.478 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -10.016 13.261 2.776 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -10.031 12.548 4.407 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.365 11.626 3.038 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.853 9.632 4.617 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.160 9.001 4.499 1.00 0.35 C ATOM 1642 C ALA A 103 -16.164 9.917 3.818 1.00 0.39 C ATOM 1643 O ALA A 103 -16.143 11.133 4.013 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.672 8.595 5.870 1.00 0.44 C ATOM 0 H ALA A 103 -13.596 9.886 5.571 1.00 0.31 H new ATOM 0 HA ALA A 103 -15.044 8.112 3.879 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.650 8.124 5.768 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.976 7.890 6.324 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.758 9.479 6.502 1.00 0.44 H new ATOM 1650 N ASP A 104 -17.032 9.326 3.013 1.00 0.48 N ATOM 1651 CA ASP A 104 -18.091 10.063 2.349 1.00 0.57 C ATOM 1652 C ASP A 104 -19.386 9.265 2.416 1.00 0.64 C ATOM 1653 O ASP A 104 -19.447 8.126 1.937 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.710 10.332 0.895 1.00 0.58 C ATOM 1655 CG ASP A 104 -18.630 11.314 0.210 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -18.320 12.525 0.204 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -19.646 10.880 -0.364 1.00 2.03 O ATOM 0 H ASP A 104 -17.022 8.328 2.803 1.00 0.48 H new ATOM 0 HA ASP A 104 -18.235 11.019 2.852 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -16.690 10.714 0.858 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.718 9.391 0.344 1.00 0.58 H new ATOM 1662 N GLY A 105 -20.403 9.857 3.030 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.693 9.199 3.198 1.00 0.83 C ATOM 1664 C GLY A 105 -22.470 9.068 1.898 1.00 1.06 C ATOM 1665 O GLY A 105 -23.589 9.571 1.774 1.00 1.97 O ATOM 0 H GLY A 105 -20.359 10.798 3.422 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -21.536 8.207 3.622 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -22.290 9.761 3.916 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.860 8.398 0.938 1.00 1.24 N ATOM 1670 CA GLN A 106 -22.450 8.150 -0.368 1.00 2.07 C ATOM 1671 C GLN A 106 -21.881 6.840 -0.911 1.00 1.73 C ATOM 1672 O GLN A 106 -22.045 6.507 -2.085 1.00 2.51 O ATOM 1673 CB GLN A 106 -22.100 9.312 -1.306 1.00 2.98 C ATOM 1674 CG GLN A 106 -22.659 9.192 -2.712 1.00 3.83 C ATOM 1675 CD GLN A 106 -21.882 10.033 -3.702 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -20.901 9.574 -4.292 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -22.302 11.268 -3.888 1.00 4.93 N ATOM 0 H GLN A 106 -20.925 8.004 1.044 1.00 1.24 H new ATOM 0 HA GLN A 106 -23.535 8.074 -0.294 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -22.465 10.239 -0.864 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -21.015 9.395 -1.368 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -22.634 8.148 -3.025 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -23.704 9.501 -2.715 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -23.118 11.611 -3.381 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -21.811 11.881 -4.539 1.00 4.93 H new ATOM 1686 N LYS A 107 -21.233 6.086 -0.015 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.402 4.948 -0.403 1.00 0.48 C ATOM 1688 C LYS A 107 -19.185 5.448 -1.162 1.00 0.38 C ATOM 1689 O LYS A 107 -18.676 4.782 -2.050 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.174 3.933 -1.255 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.185 3.107 -0.478 1.00 1.55 C ATOM 1692 CD LYS A 107 -22.910 2.135 -1.394 1.00 2.23 C ATOM 1693 CE LYS A 107 -23.832 1.204 -0.621 1.00 2.95 C ATOM 1694 NZ LYS A 107 -24.856 1.947 0.162 1.00 3.53 N ATOM 0 H LYS A 107 -21.271 6.248 0.991 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.090 4.434 0.506 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.693 4.465 -2.052 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -20.462 3.260 -1.732 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -21.678 2.557 0.315 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -22.907 3.767 0.003 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -23.491 2.693 -2.128 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -22.180 1.545 -1.947 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -24.329 0.528 -1.317 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -23.239 0.587 0.054 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -25.542 1.275 0.562 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -24.392 2.469 0.933 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -25.350 2.617 -0.461 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.698 6.620 -0.786 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.538 7.196 -1.442 1.00 0.29 C ATOM 1710 C LYS A 108 -16.441 7.434 -0.413 1.00 0.27 C ATOM 1711 O LYS A 108 -16.723 7.555 0.777 1.00 0.28 O ATOM 1712 CB LYS A 108 -17.919 8.507 -2.151 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.819 9.055 -3.052 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.305 10.166 -3.982 1.00 1.09 C ATOM 1715 CE LYS A 108 -17.633 11.459 -3.246 1.00 1.62 C ATOM 1716 NZ LYS A 108 -19.063 11.535 -2.844 1.00 2.44 N ATOM 0 H LYS A 108 -19.087 7.188 -0.033 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.168 6.503 -2.198 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.816 8.340 -2.747 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.170 9.257 -1.400 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -16.007 9.436 -2.433 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.409 8.242 -3.651 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -16.539 10.366 -4.731 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -18.192 9.823 -4.516 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -17.004 11.539 -2.359 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -17.392 12.309 -3.885 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -19.290 12.506 -2.550 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -19.665 11.268 -3.649 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -19.236 10.884 -2.052 1.00 2.44 H new ATOM 1730 N THR A 109 -15.194 7.449 -0.862 1.00 0.26 N ATOM 1731 CA THR A 109 -14.063 7.738 0.013 1.00 0.25 C ATOM 1732 C THR A 109 -12.845 8.144 -0.799 1.00 0.26 C ATOM 1733 O THR A 109 -12.460 7.456 -1.740 1.00 0.35 O ATOM 1734 CB THR A 109 -13.713 6.524 0.903 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.735 6.342 1.882 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.372 6.699 1.601 1.00 0.42 C ATOM 0 H THR A 109 -14.938 7.264 -1.832 1.00 0.26 H new ATOM 0 HA THR A 109 -14.355 8.566 0.659 1.00 0.25 H new ATOM 0 HB THR A 109 -13.643 5.648 0.258 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.432 7.020 1.758 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.165 5.823 2.216 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.586 6.813 0.855 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.404 7.587 2.233 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.252 9.269 -0.438 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.065 9.748 -1.118 1.00 0.27 C ATOM 1746 C ARG A 110 -9.872 9.624 -0.181 1.00 0.26 C ATOM 1747 O ARG A 110 -9.831 10.266 0.864 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.262 11.204 -1.565 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.453 11.601 -2.796 1.00 0.68 C ATOM 1750 CD ARG A 110 -8.961 11.682 -2.517 1.00 0.62 C ATOM 1751 NE ARG A 110 -8.437 13.030 -2.738 1.00 1.27 N ATOM 1752 CZ ARG A 110 -7.265 13.458 -2.276 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -6.474 12.640 -1.603 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -6.878 14.705 -2.496 1.00 2.59 N ATOM 0 H ARG A 110 -12.575 9.867 0.323 1.00 0.25 H new ATOM 0 HA ARG A 110 -10.882 9.147 -2.008 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.320 11.368 -1.772 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -10.993 11.864 -0.740 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.631 10.877 -3.591 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -10.803 12.567 -3.160 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -8.767 11.382 -1.487 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -8.433 10.977 -3.159 1.00 0.62 H new ATOM 0 HE ARG A 110 -9.005 13.682 -3.279 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -6.761 11.676 -1.436 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -5.577 12.973 -1.251 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -7.479 15.340 -3.021 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -5.979 15.030 -2.141 1.00 2.59 H new ATOM 1768 N VAL A 111 -8.920 8.777 -0.534 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.751 8.570 0.308 1.00 0.27 C ATOM 1770 C VAL A 111 -6.608 9.480 -0.106 1.00 0.29 C ATOM 1771 O VAL A 111 -6.419 9.754 -1.301 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.243 7.116 0.269 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.729 6.766 -1.110 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.144 6.908 1.294 1.00 0.33 C ATOM 0 H VAL A 111 -8.931 8.224 -1.391 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.074 8.804 1.322 1.00 0.27 H new ATOM 0 HB VAL A 111 -8.080 6.460 0.509 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.375 5.735 -1.116 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.533 6.878 -1.837 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -5.908 7.433 -1.372 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.798 5.875 1.252 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.313 7.579 1.077 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.531 7.120 2.291 1.00 0.33 H new ATOM 1784 N ASP A 112 -5.854 9.929 0.889 1.00 0.31 N ATOM 1785 CA ASP A 112 -4.665 10.725 0.666 1.00 0.37 C ATOM 1786 C ASP A 112 -3.501 10.137 1.461 1.00 0.37 C ATOM 1787 O ASP A 112 -3.627 9.884 2.658 1.00 0.40 O ATOM 1788 CB ASP A 112 -4.915 12.168 1.095 1.00 0.50 C ATOM 1789 CG ASP A 112 -3.939 13.129 0.462 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -2.883 13.382 1.078 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.225 13.643 -0.633 1.00 1.38 O ATOM 0 H ASP A 112 -6.054 9.749 1.873 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.418 10.713 -0.395 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -5.931 12.455 0.825 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -4.841 12.240 2.180 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.393 9.870 0.784 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.199 9.346 1.441 1.00 0.41 C ATOM 1798 C VAL A 113 -0.090 10.373 1.438 1.00 0.43 C ATOM 1799 O VAL A 113 0.185 10.986 0.407 1.00 0.47 O ATOM 1800 CB VAL A 113 -0.690 8.038 0.769 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.785 8.108 0.371 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -0.911 6.864 1.689 1.00 0.77 C ATOM 0 H VAL A 113 -2.294 10.007 -0.222 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.482 9.116 2.468 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.266 7.912 -0.148 1.00 0.50 H new ATOM 0 HG11 VAL A 113 1.082 7.167 -0.092 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.933 8.924 -0.337 1.00 0.91 H new ATOM 0 HG13 VAL A 113 1.393 8.283 1.258 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -0.552 5.953 1.210 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -0.366 7.023 2.620 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -1.975 6.765 1.904 1.00 0.77 H new ATOM 1812 N GLU A 114 0.536 10.549 2.591 1.00 0.47 N ATOM 1813 CA GLU A 114 1.733 11.360 2.683 1.00 0.55 C ATOM 1814 C GLU A 114 2.953 10.468 2.811 1.00 0.60 C ATOM 1815 O GLU A 114 3.145 9.804 3.828 1.00 0.62 O ATOM 1816 CB GLU A 114 1.685 12.291 3.884 1.00 0.67 C ATOM 1817 CG GLU A 114 0.504 13.236 3.899 1.00 1.31 C ATOM 1818 CD GLU A 114 0.551 14.159 5.095 1.00 1.75 C ATOM 1819 OE1 GLU A 114 0.459 13.667 6.239 1.00 2.31 O ATOM 1820 OE2 GLU A 114 0.646 15.389 4.894 1.00 2.05 O ATOM 0 H GLU A 114 0.233 10.140 3.475 1.00 0.47 H new ATOM 0 HA GLU A 114 1.793 11.960 1.775 1.00 0.55 H new ATOM 0 HB2 GLU A 114 1.665 11.690 4.793 1.00 0.67 H new ATOM 0 HB3 GLU A 114 2.604 12.877 3.910 1.00 0.67 H new ATOM 0 HG2 GLU A 114 0.497 13.826 2.982 1.00 1.31 H new ATOM 0 HG3 GLU A 114 -0.423 12.662 3.916 1.00 1.31 H new ATOM 1827 N HIS A 115 3.756 10.450 1.773 1.00 0.70 N ATOM 1828 CA HIS A 115 5.018 9.736 1.779 1.00 0.80 C ATOM 1829 C HIS A 115 6.121 10.721 1.449 1.00 0.89 C ATOM 1830 O HIS A 115 6.307 11.084 0.295 1.00 1.17 O ATOM 1831 CB HIS A 115 4.977 8.592 0.758 1.00 0.92 C ATOM 1832 CG HIS A 115 6.264 7.836 0.592 1.00 0.87 C ATOM 1833 ND1 HIS A 115 7.216 7.923 -0.364 1.00 1.59 N flip ATOM 1834 CD2 HIS A 115 6.668 6.827 1.434 1.00 1.36 C flip ATOM 1835 CE1 HIS A 115 8.167 6.976 -0.088 1.00 1.64 C flip ATOM 1836 NE2 HIS A 115 7.811 6.330 1.001 1.00 1.47 N flip ATOM 0 H HIS A 115 3.555 10.931 0.896 1.00 0.70 H new ATOM 0 HA HIS A 115 5.205 9.298 2.759 1.00 0.80 H new ATOM 0 HB2 HIS A 115 4.198 7.890 1.054 1.00 0.92 H new ATOM 0 HB3 HIS A 115 4.687 9.001 -0.210 1.00 0.92 H new ATOM 0 HD1 HIS A 115 7.225 8.575 -1.148 1.00 1.59 H new ATOM 0 HD2 HIS A 115 6.134 6.494 2.312 1.00 1.36 H new ATOM 0 HE1 HIS A 115 9.059 6.791 -0.668 1.00 1.64 H new ATOM 1845 N THR A 116 6.803 11.204 2.463 1.00 0.90 N ATOM 1846 CA THR A 116 7.854 12.184 2.262 1.00 1.08 C ATOM 1847 C THR A 116 8.878 12.088 3.378 1.00 0.83 C ATOM 1848 O THR A 116 8.724 12.697 4.437 1.00 1.67 O ATOM 1849 CB THR A 116 7.275 13.615 2.197 1.00 1.92 C ATOM 1850 OG1 THR A 116 6.218 13.658 1.231 1.00 2.67 O ATOM 1851 CG2 THR A 116 8.346 14.627 1.822 1.00 2.51 C ATOM 0 H THR A 116 6.651 10.936 3.436 1.00 0.90 H new ATOM 0 HA THR A 116 8.340 11.969 1.310 1.00 1.08 H new ATOM 0 HB THR A 116 6.892 13.874 3.184 1.00 1.92 H new ATOM 0 HG1 THR A 116 5.353 13.608 1.690 1.00 2.67 H new ATOM 0 HG21 THR A 116 7.907 15.624 1.785 1.00 2.51 H new ATOM 0 HG22 THR A 116 9.141 14.608 2.567 1.00 2.51 H new ATOM 0 HG23 THR A 116 8.758 14.375 0.845 1.00 2.51 H new ATOM 1859 N HIS A 117 9.898 11.279 3.157 1.00 0.72 N ATOM 1860 CA HIS A 117 10.945 11.100 4.151 1.00 1.13 C ATOM 1861 C HIS A 117 12.236 10.647 3.478 1.00 0.90 C ATOM 1862 O HIS A 117 13.167 11.428 3.302 1.00 0.97 O ATOM 1863 CB HIS A 117 10.498 10.072 5.201 1.00 1.98 C ATOM 1864 CG HIS A 117 11.231 10.159 6.506 1.00 2.07 C ATOM 1865 ND1 HIS A 117 10.601 10.444 7.698 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.537 9.976 6.810 1.00 2.33 C ATOM 1867 CE1 HIS A 117 11.486 10.435 8.676 1.00 2.60 C ATOM 1868 NE2 HIS A 117 12.667 10.153 8.163 1.00 2.63 N ATOM 0 H HIS A 117 10.025 10.737 2.302 1.00 0.72 H new ATOM 0 HA HIS A 117 11.130 12.052 4.649 1.00 1.13 H new ATOM 0 HB2 HIS A 117 9.432 10.202 5.388 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.630 9.071 4.790 1.00 1.98 H new ATOM 0 HD2 HIS A 117 13.329 9.735 6.116 1.00 2.33 H new ATOM 0 HE1 HIS A 117 11.279 10.626 9.719 1.00 2.60 H new ATOM 0 HE2 HIS A 117 13.538 10.078 8.689 1.00 2.63 H new ATOM 1877 N PHE A 118 12.268 9.380 3.093 1.00 0.76 N ATOM 1878 CA PHE A 118 13.431 8.792 2.441 1.00 0.76 C ATOM 1879 C PHE A 118 13.437 9.111 0.941 1.00 0.65 C ATOM 1880 O PHE A 118 14.491 9.172 0.305 1.00 0.74 O ATOM 1881 CB PHE A 118 13.420 7.279 2.701 1.00 0.97 C ATOM 1882 CG PHE A 118 14.392 6.487 1.880 1.00 1.74 C ATOM 1883 CD1 PHE A 118 15.756 6.671 2.018 1.00 2.35 C ATOM 1884 CD2 PHE A 118 13.930 5.551 0.972 1.00 2.32 C ATOM 1885 CE1 PHE A 118 16.643 5.939 1.259 1.00 3.18 C ATOM 1886 CE2 PHE A 118 14.812 4.816 0.209 1.00 3.21 C ATOM 1887 CZ PHE A 118 16.172 5.012 0.351 1.00 3.54 C ATOM 0 H PHE A 118 11.492 8.731 3.223 1.00 0.76 H new ATOM 0 HA PHE A 118 14.345 9.219 2.853 1.00 0.76 H new ATOM 0 HB2 PHE A 118 13.633 7.106 3.756 1.00 0.97 H new ATOM 0 HB3 PHE A 118 12.415 6.901 2.512 1.00 0.97 H new ATOM 0 HD1 PHE A 118 16.129 7.395 2.727 1.00 2.35 H new ATOM 0 HD2 PHE A 118 12.867 5.395 0.860 1.00 2.32 H new ATOM 0 HE1 PHE A 118 17.706 6.090 1.374 1.00 3.18 H new ATOM 0 HE2 PHE A 118 14.441 4.089 -0.498 1.00 3.21 H new ATOM 0 HZ PHE A 118 16.866 4.441 -0.248 1.00 3.54 H new ATOM 1897 N ASP A 119 12.250 9.348 0.399 1.00 0.66 N ATOM 1898 CA ASP A 119 12.066 9.657 -1.011 1.00 0.75 C ATOM 1899 C ASP A 119 12.505 11.083 -1.319 1.00 0.74 C ATOM 1900 O ASP A 119 13.185 11.336 -2.316 1.00 0.83 O ATOM 1901 CB ASP A 119 10.587 9.477 -1.354 1.00 0.94 C ATOM 1902 CG ASP A 119 9.689 10.112 -0.301 1.00 1.34 C ATOM 1903 OD1 ASP A 119 9.086 11.158 -0.581 1.00 1.75 O ATOM 1904 OD2 ASP A 119 9.617 9.563 0.830 1.00 1.81 O ATOM 0 H ASP A 119 11.380 9.331 0.931 1.00 0.66 H new ATOM 0 HA ASP A 119 12.679 8.985 -1.612 1.00 0.75 H new ATOM 0 HB2 ASP A 119 10.381 9.924 -2.327 1.00 0.94 H new ATOM 0 HB3 ASP A 119 10.358 8.414 -1.436 1.00 0.94 H new ATOM 1909 N ARG A 120 12.116 12.001 -0.440 1.00 0.76 N ATOM 1910 CA ARG A 120 12.439 13.425 -0.560 1.00 0.89 C ATOM 1911 C ARG A 120 13.942 13.670 -0.720 1.00 0.83 C ATOM 1912 O ARG A 120 14.361 14.716 -1.225 1.00 1.00 O ATOM 1913 CB ARG A 120 11.917 14.169 0.669 1.00 1.07 C ATOM 1914 CG ARG A 120 12.088 15.676 0.597 1.00 1.50 C ATOM 1915 CD ARG A 120 11.546 16.351 1.844 1.00 1.71 C ATOM 1916 NE ARG A 120 11.689 17.803 1.787 1.00 2.15 N ATOM 1917 CZ ARG A 120 11.058 18.645 2.607 1.00 2.66 C ATOM 1918 NH1 ARG A 120 10.229 18.176 3.533 1.00 2.90 N ATOM 1919 NH2 ARG A 120 11.256 19.954 2.495 1.00 3.38 N ATOM 0 H ARG A 120 11.561 11.778 0.386 1.00 0.76 H new ATOM 0 HA ARG A 120 11.955 13.800 -1.462 1.00 0.89 H new ATOM 0 HB2 ARG A 120 10.859 13.939 0.798 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.434 13.797 1.553 1.00 1.07 H new ATOM 0 HG2 ARG A 120 13.144 15.919 0.478 1.00 1.50 H new ATOM 0 HG3 ARG A 120 11.571 16.062 -0.282 1.00 1.50 H new ATOM 0 HD2 ARG A 120 10.494 16.095 1.966 1.00 1.71 H new ATOM 0 HD3 ARG A 120 12.071 15.969 2.720 1.00 1.71 H new ATOM 0 HE ARG A 120 12.308 18.197 1.078 1.00 2.15 H new ATOM 0 HH11 ARG A 120 10.075 17.171 3.617 1.00 2.90 H new ATOM 0 HH12 ARG A 120 9.747 18.821 4.160 1.00 2.90 H new ATOM 0 HH21 ARG A 120 11.890 20.315 1.782 1.00 3.38 H new ATOM 0 HH22 ARG A 120 10.774 20.598 3.122 1.00 3.38 H new ATOM 1933 N MET A 121 14.745 12.702 -0.303 1.00 0.73 N ATOM 1934 CA MET A 121 16.198 12.836 -0.351 1.00 0.91 C ATOM 1935 C MET A 121 16.727 12.596 -1.766 1.00 1.12 C ATOM 1936 O MET A 121 17.940 12.597 -1.993 1.00 1.41 O ATOM 1937 CB MET A 121 16.849 11.870 0.636 1.00 1.05 C ATOM 1938 CG MET A 121 16.291 11.984 2.049 1.00 1.28 C ATOM 1939 SD MET A 121 16.295 13.677 2.675 1.00 2.15 S ATOM 1940 CE MET A 121 18.039 14.067 2.596 1.00 2.43 C ATOM 0 H MET A 121 14.416 11.813 0.073 1.00 0.73 H new ATOM 0 HA MET A 121 16.456 13.856 -0.067 1.00 0.91 H new ATOM 0 HB2 MET A 121 16.710 10.849 0.280 1.00 1.05 H new ATOM 0 HB3 MET A 121 17.923 12.056 0.661 1.00 1.05 H new ATOM 0 HG2 MET A 121 15.271 11.600 2.063 1.00 1.28 H new ATOM 0 HG3 MET A 121 16.878 11.354 2.717 1.00 1.28 H new ATOM 0 HE1 MET A 121 18.228 15.000 3.128 1.00 2.43 H new ATOM 0 HE2 MET A 121 18.613 13.264 3.058 1.00 2.43 H new ATOM 0 HE3 MET A 121 18.341 14.176 1.554 1.00 2.43 H new ATOM 1950 N GLY A 122 15.803 12.358 -2.697 1.00 1.18 N ATOM 1951 CA GLY A 122 16.126 12.299 -4.115 1.00 1.61 C ATOM 1952 C GLY A 122 17.326 11.430 -4.448 1.00 1.21 C ATOM 1953 O GLY A 122 17.544 10.389 -3.822 1.00 1.30 O ATOM 0 H GLY A 122 14.817 12.202 -2.487 1.00 1.18 H new ATOM 0 HA2 GLY A 122 15.259 11.923 -4.658 1.00 1.61 H new ATOM 0 HA3 GLY A 122 16.314 13.311 -4.475 1.00 1.61 H new ATOM 1957 N THR A 123 18.085 11.872 -5.450 1.00 1.27 N ATOM 1958 CA THR A 123 19.292 11.189 -5.902 1.00 1.42 C ATOM 1959 C THR A 123 19.035 9.687 -6.081 1.00 1.27 C ATOM 1960 O THR A 123 18.029 9.289 -6.671 1.00 1.24 O ATOM 1961 CB THR A 123 20.464 11.419 -4.922 1.00 1.94 C ATOM 1962 OG1 THR A 123 20.371 12.724 -4.337 1.00 2.44 O ATOM 1963 CG2 THR A 123 21.801 11.297 -5.644 1.00 2.58 C ATOM 0 H THR A 123 17.876 12.722 -5.974 1.00 1.27 H new ATOM 0 HA THR A 123 19.568 11.611 -6.868 1.00 1.42 H new ATOM 0 HB THR A 123 20.404 10.660 -4.142 1.00 1.94 H new ATOM 0 HG1 THR A 123 21.118 12.858 -3.717 1.00 2.44 H new ATOM 0 HG21 THR A 123 22.613 11.462 -4.936 1.00 2.58 H new ATOM 0 HG22 THR A 123 21.892 10.300 -6.075 1.00 2.58 H new ATOM 0 HG23 THR A 123 21.855 12.041 -6.438 1.00 2.58 H new ATOM 1971 N LYS A 124 19.927 8.857 -5.553 1.00 1.28 N ATOM 1972 CA LYS A 124 19.803 7.418 -5.699 1.00 1.24 C ATOM 1973 C LYS A 124 18.758 6.852 -4.748 1.00 1.05 C ATOM 1974 O LYS A 124 18.325 5.716 -4.909 1.00 1.04 O ATOM 1975 CB LYS A 124 21.152 6.734 -5.467 1.00 1.43 C ATOM 1976 CG LYS A 124 22.160 6.987 -6.576 1.00 2.04 C ATOM 1977 CD LYS A 124 23.478 6.271 -6.318 1.00 2.45 C ATOM 1978 CE LYS A 124 24.227 6.877 -5.143 1.00 3.14 C ATOM 1979 NZ LYS A 124 25.525 6.194 -4.908 1.00 3.80 N ATOM 0 H LYS A 124 20.743 9.159 -5.021 1.00 1.28 H new ATOM 0 HA LYS A 124 19.477 7.217 -6.719 1.00 1.24 H new ATOM 0 HB2 LYS A 124 21.569 7.082 -4.522 1.00 1.43 H new ATOM 0 HB3 LYS A 124 20.994 5.660 -5.369 1.00 1.43 H new ATOM 0 HG2 LYS A 124 21.745 6.653 -7.527 1.00 2.04 H new ATOM 0 HG3 LYS A 124 22.340 8.058 -6.666 1.00 2.04 H new ATOM 0 HD2 LYS A 124 23.287 5.216 -6.122 1.00 2.45 H new ATOM 0 HD3 LYS A 124 24.100 6.322 -7.211 1.00 2.45 H new ATOM 0 HE2 LYS A 124 24.402 7.936 -5.330 1.00 3.14 H new ATOM 0 HE3 LYS A 124 23.612 6.809 -4.245 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 26.008 6.635 -4.099 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 25.356 5.188 -4.705 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 26.121 6.281 -5.756 1.00 3.80 H new ATOM 1993 N HIS A 125 18.338 7.644 -3.765 1.00 0.96 N ATOM 1994 CA HIS A 125 17.344 7.174 -2.807 1.00 0.85 C ATOM 1995 C HIS A 125 15.981 7.106 -3.482 1.00 0.76 C ATOM 1996 O HIS A 125 15.332 6.059 -3.501 1.00 0.76 O ATOM 1997 CB HIS A 125 17.294 8.090 -1.571 1.00 0.85 C ATOM 1998 CG HIS A 125 18.532 8.029 -0.723 1.00 1.23 C ATOM 1999 ND1 HIS A 125 18.572 8.425 0.597 1.00 1.80 N ATOM 2000 CD2 HIS A 125 19.785 7.606 -1.019 1.00 1.80 C ATOM 2001 CE1 HIS A 125 19.791 8.249 1.072 1.00 2.14 C ATOM 2002 NE2 HIS A 125 20.547 7.750 0.113 1.00 2.12 N ATOM 0 H HIS A 125 18.664 8.598 -3.613 1.00 0.96 H new ATOM 0 HA HIS A 125 17.625 6.177 -2.467 1.00 0.85 H new ATOM 0 HB2 HIS A 125 17.139 9.118 -1.898 1.00 0.85 H new ATOM 0 HB3 HIS A 125 16.433 7.816 -0.961 1.00 0.85 H new ATOM 0 HD2 HIS A 125 20.122 7.225 -1.972 1.00 1.80 H new ATOM 0 HE1 HIS A 125 20.115 8.476 2.077 1.00 2.14 H new ATOM 0 HE2 HIS A 125 21.535 7.511 0.199 1.00 2.12 H new ATOM 2011 N ALA A 126 15.584 8.213 -4.090 1.00 0.77 N ATOM 2012 CA ALA A 126 14.303 8.293 -4.770 1.00 0.80 C ATOM 2013 C ALA A 126 14.317 7.482 -6.059 1.00 0.86 C ATOM 2014 O ALA A 126 13.317 6.863 -6.425 1.00 0.92 O ATOM 2015 CB ALA A 126 13.947 9.739 -5.060 1.00 0.92 C ATOM 0 H ALA A 126 16.134 9.071 -4.126 1.00 0.77 H new ATOM 0 HA ALA A 126 13.544 7.870 -4.112 1.00 0.80 H new ATOM 0 HB1 ALA A 126 12.984 9.782 -5.570 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.887 10.294 -4.124 1.00 0.92 H new ATOM 0 HB3 ALA A 126 14.714 10.182 -5.695 1.00 0.92 H new ATOM 2021 N LYS A 127 15.458 7.475 -6.743 1.00 0.92 N ATOM 2022 CA LYS A 127 15.584 6.742 -7.995 1.00 1.05 C ATOM 2023 C LYS A 127 15.427 5.242 -7.771 1.00 0.97 C ATOM 2024 O LYS A 127 14.789 4.553 -8.571 1.00 1.04 O ATOM 2025 CB LYS A 127 16.930 7.033 -8.665 1.00 1.26 C ATOM 2026 CG LYS A 127 17.133 6.280 -9.973 1.00 1.55 C ATOM 2027 CD LYS A 127 18.441 6.662 -10.649 1.00 1.93 C ATOM 2028 CE LYS A 127 18.435 8.117 -11.090 1.00 2.38 C ATOM 2029 NZ LYS A 127 19.679 8.487 -11.815 1.00 2.83 N ATOM 0 H LYS A 127 16.303 7.966 -6.452 1.00 0.92 H new ATOM 0 HA LYS A 127 14.785 7.079 -8.655 1.00 1.05 H new ATOM 0 HB2 LYS A 127 17.008 8.103 -8.855 1.00 1.26 H new ATOM 0 HB3 LYS A 127 17.734 6.772 -7.976 1.00 1.26 H new ATOM 0 HG2 LYS A 127 17.124 5.207 -9.780 1.00 1.55 H new ATOM 0 HG3 LYS A 127 16.302 6.490 -10.646 1.00 1.55 H new ATOM 0 HD2 LYS A 127 19.270 6.492 -9.962 1.00 1.93 H new ATOM 0 HD3 LYS A 127 18.606 6.019 -11.514 1.00 1.93 H new ATOM 0 HE2 LYS A 127 17.574 8.297 -11.734 1.00 2.38 H new ATOM 0 HE3 LYS A 127 18.320 8.759 -10.217 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 19.632 9.487 -12.097 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 20.500 8.341 -11.193 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 19.777 7.892 -12.663 1.00 2.83 H new ATOM 2043 N ARG A 128 15.988 4.739 -6.676 1.00 0.94 N ATOM 2044 CA ARG A 128 15.935 3.311 -6.403 1.00 1.00 C ATOM 2045 C ARG A 128 14.530 2.906 -5.970 1.00 0.97 C ATOM 2046 O ARG A 128 14.078 1.802 -6.273 1.00 1.09 O ATOM 2047 CB ARG A 128 16.984 2.905 -5.359 1.00 1.14 C ATOM 2048 CG ARG A 128 16.602 3.169 -3.910 1.00 1.11 C ATOM 2049 CD ARG A 128 17.837 3.203 -3.021 1.00 1.34 C ATOM 2050 NE ARG A 128 18.889 2.305 -3.501 1.00 1.59 N ATOM 2051 CZ ARG A 128 20.086 2.174 -2.931 1.00 1.95 C ATOM 2052 NH1 ARG A 128 20.368 2.806 -1.794 1.00 2.14 N ATOM 2053 NH2 ARG A 128 20.998 1.400 -3.498 1.00 2.59 N ATOM 0 H ARG A 128 16.478 5.292 -5.973 1.00 0.94 H new ATOM 0 HA ARG A 128 16.173 2.776 -7.323 1.00 1.00 H new ATOM 0 HB2 ARG A 128 17.193 1.841 -5.474 1.00 1.14 H new ATOM 0 HB3 ARG A 128 17.911 3.437 -5.575 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.070 4.118 -3.837 1.00 1.11 H new ATOM 0 HG3 ARG A 128 15.920 2.393 -3.562 1.00 1.11 H new ATOM 0 HD2 ARG A 128 18.223 4.221 -2.977 1.00 1.34 H new ATOM 0 HD3 ARG A 128 17.559 2.924 -2.005 1.00 1.34 H new ATOM 0 HE ARG A 128 18.692 1.741 -4.328 1.00 1.59 H new ATOM 0 HH11 ARG A 128 19.665 3.397 -1.351 1.00 2.14 H new ATOM 0 HH12 ARG A 128 21.287 2.699 -1.366 1.00 2.14 H new ATOM 0 HH21 ARG A 128 20.782 0.909 -4.365 1.00 2.59 H new ATOM 0 HH22 ARG A 128 21.917 1.295 -3.067 1.00 2.59 H new ATOM 2067 N VAL A 129 13.833 3.806 -5.278 1.00 0.91 N ATOM 2068 CA VAL A 129 12.433 3.577 -4.942 1.00 1.04 C ATOM 2069 C VAL A 129 11.584 3.534 -6.212 1.00 1.04 C ATOM 2070 O VAL A 129 10.695 2.688 -6.364 1.00 1.19 O ATOM 2071 CB VAL A 129 11.882 4.667 -3.998 1.00 1.16 C ATOM 2072 CG1 VAL A 129 10.402 4.443 -3.720 1.00 1.43 C ATOM 2073 CG2 VAL A 129 12.667 4.698 -2.697 1.00 1.48 C ATOM 0 H VAL A 129 14.212 4.692 -4.943 1.00 0.91 H new ATOM 0 HA VAL A 129 12.378 2.619 -4.426 1.00 1.04 H new ATOM 0 HB VAL A 129 11.996 5.632 -4.493 1.00 1.16 H new ATOM 0 HG11 VAL A 129 10.035 5.223 -3.053 1.00 1.43 H new ATOM 0 HG12 VAL A 129 9.847 4.477 -4.657 1.00 1.43 H new ATOM 0 HG13 VAL A 129 10.263 3.469 -3.251 1.00 1.43 H new ATOM 0 HG21 VAL A 129 12.262 5.473 -2.046 1.00 1.48 H new ATOM 0 HG22 VAL A 129 12.588 3.730 -2.201 1.00 1.48 H new ATOM 0 HG23 VAL A 129 13.714 4.913 -2.909 1.00 1.48 H new ATOM 2083 N ARG A 130 11.900 4.428 -7.137 1.00 0.99 N ATOM 2084 CA ARG A 130 11.146 4.569 -8.374 1.00 1.14 C ATOM 2085 C ARG A 130 11.268 3.326 -9.263 1.00 1.05 C ATOM 2086 O ARG A 130 10.456 3.131 -10.162 1.00 1.24 O ATOM 2087 CB ARG A 130 11.635 5.800 -9.144 1.00 1.30 C ATOM 2088 CG ARG A 130 10.821 6.105 -10.390 1.00 1.75 C ATOM 2089 CD ARG A 130 11.561 7.046 -11.322 1.00 1.86 C ATOM 2090 NE ARG A 130 12.843 6.484 -11.746 1.00 2.36 N ATOM 2091 CZ ARG A 130 13.205 6.334 -13.019 1.00 2.92 C ATOM 2092 NH1 ARG A 130 12.373 6.678 -13.995 1.00 3.04 N ATOM 2093 NH2 ARG A 130 14.393 5.824 -13.318 1.00 3.83 N ATOM 0 H ARG A 130 12.684 5.075 -7.052 1.00 0.99 H new ATOM 0 HA ARG A 130 10.096 4.688 -8.108 1.00 1.14 H new ATOM 0 HB2 ARG A 130 11.608 6.666 -8.482 1.00 1.30 H new ATOM 0 HB3 ARG A 130 12.676 5.649 -9.429 1.00 1.30 H new ATOM 0 HG2 ARG A 130 10.594 5.176 -10.914 1.00 1.75 H new ATOM 0 HG3 ARG A 130 9.868 6.550 -10.103 1.00 1.75 H new ATOM 0 HD2 ARG A 130 10.945 7.251 -12.198 1.00 1.86 H new ATOM 0 HD3 ARG A 130 11.729 7.999 -10.820 1.00 1.86 H new ATOM 0 HE ARG A 130 13.499 6.189 -11.023 1.00 2.36 H new ATOM 0 HH11 ARG A 130 11.454 7.058 -13.771 1.00 3.04 H new ATOM 0 HH12 ARG A 130 12.653 6.562 -14.969 1.00 3.04 H new ATOM 0 HH21 ARG A 130 15.031 5.546 -12.572 1.00 3.83 H new ATOM 0 HH22 ARG A 130 14.668 5.710 -14.294 1.00 3.83 H new ATOM 2107 N ASN A 131 12.267 2.480 -9.003 1.00 0.85 N ATOM 2108 CA ASN A 131 12.541 1.337 -9.877 1.00 0.88 C ATOM 2109 C ASN A 131 11.290 0.485 -10.100 1.00 1.08 C ATOM 2110 O ASN A 131 10.963 0.134 -11.231 1.00 1.24 O ATOM 2111 CB ASN A 131 13.663 0.457 -9.309 1.00 0.88 C ATOM 2112 CG ASN A 131 14.144 -0.562 -10.327 1.00 1.70 C ATOM 2113 OD1 ASN A 131 14.099 -0.319 -11.533 1.00 2.48 O ATOM 2114 ND2 ASN A 131 14.619 -1.701 -9.855 1.00 2.04 N ATOM 0 H ASN A 131 12.894 2.563 -8.203 1.00 0.85 H new ATOM 0 HA ASN A 131 12.861 1.746 -10.836 1.00 0.88 H new ATOM 0 HB2 ASN A 131 14.498 1.086 -9.000 1.00 0.88 H new ATOM 0 HB3 ASN A 131 13.306 -0.059 -8.418 1.00 0.88 H new ATOM 0 HD21 ASN A 131 14.964 -2.415 -10.497 1.00 2.04 H new ATOM 0 HD22 ASN A 131 14.640 -1.867 -8.849 1.00 2.04 H new ATOM 2121 N GLY A 132 10.578 0.183 -9.026 1.00 1.23 N ATOM 2122 CA GLY A 132 9.421 -0.688 -9.139 1.00 1.61 C ATOM 2123 C GLY A 132 8.134 -0.024 -8.696 1.00 1.21 C ATOM 2124 O GLY A 132 7.044 -0.464 -9.056 1.00 1.24 O ATOM 0 H GLY A 132 10.776 0.521 -8.084 1.00 1.23 H new ATOM 0 HA2 GLY A 132 9.318 -1.013 -10.174 1.00 1.61 H new ATOM 0 HA3 GLY A 132 9.587 -1.583 -8.539 1.00 1.61 H new ATOM 2128 N MET A 133 8.251 1.036 -7.911 1.00 1.24 N ATOM 2129 CA MET A 133 7.075 1.713 -7.386 1.00 1.38 C ATOM 2130 C MET A 133 6.456 2.643 -8.437 1.00 1.35 C ATOM 2131 O MET A 133 5.264 2.940 -8.383 1.00 1.56 O ATOM 2132 CB MET A 133 7.440 2.491 -6.114 1.00 2.06 C ATOM 2133 CG MET A 133 6.300 3.353 -5.576 1.00 2.92 C ATOM 2134 SD MET A 133 6.774 4.375 -4.166 1.00 3.99 S ATOM 2135 CE MET A 133 7.002 3.133 -2.902 1.00 4.83 C ATOM 0 H MET A 133 9.141 1.444 -7.625 1.00 1.24 H new ATOM 0 HA MET A 133 6.328 0.960 -7.133 1.00 1.38 H new ATOM 0 HB2 MET A 133 7.746 1.785 -5.342 1.00 2.06 H new ATOM 0 HB3 MET A 133 8.299 3.128 -6.322 1.00 2.06 H new ATOM 0 HG2 MET A 133 5.934 3.998 -6.375 1.00 2.92 H new ATOM 0 HG3 MET A 133 5.473 2.706 -5.284 1.00 2.92 H new ATOM 0 HE1 MET A 133 7.140 3.618 -1.936 1.00 4.83 H new ATOM 0 HE2 MET A 133 6.124 2.489 -2.862 1.00 4.83 H new ATOM 0 HE3 MET A 133 7.882 2.533 -3.136 1.00 4.83 H new ATOM 2145 N ASP A 134 7.270 3.060 -9.409 1.00 1.38 N ATOM 2146 CA ASP A 134 6.856 4.042 -10.422 1.00 1.84 C ATOM 2147 C ASP A 134 5.599 3.621 -11.176 1.00 1.95 C ATOM 2148 O ASP A 134 4.672 4.413 -11.328 1.00 2.41 O ATOM 2149 CB ASP A 134 7.988 4.279 -11.427 1.00 2.05 C ATOM 2150 CG ASP A 134 7.563 5.132 -12.610 1.00 2.29 C ATOM 2151 OD1 ASP A 134 7.645 6.373 -12.519 1.00 2.83 O ATOM 2152 OD2 ASP A 134 7.170 4.559 -13.651 1.00 2.28 O ATOM 0 H ASP A 134 8.229 2.731 -9.519 1.00 1.38 H new ATOM 0 HA ASP A 134 6.627 4.962 -9.884 1.00 1.84 H new ATOM 0 HB2 ASP A 134 8.822 4.762 -10.919 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.350 3.318 -11.791 1.00 2.05 H new ATOM 2157 N LYS A 135 5.573 2.392 -11.666 1.00 1.70 N ATOM 2158 CA LYS A 135 4.439 1.921 -12.450 1.00 2.03 C ATOM 2159 C LYS A 135 3.501 1.060 -11.608 1.00 1.70 C ATOM 2160 O LYS A 135 2.284 1.177 -11.717 1.00 2.17 O ATOM 2161 CB LYS A 135 4.931 1.137 -13.671 1.00 2.40 C ATOM 2162 CG LYS A 135 3.821 0.667 -14.606 1.00 3.08 C ATOM 2163 CD LYS A 135 2.990 1.830 -15.132 1.00 3.44 C ATOM 2164 CE LYS A 135 2.020 1.389 -16.224 1.00 3.61 C ATOM 2165 NZ LYS A 135 1.106 0.301 -15.776 1.00 4.15 N ATOM 0 H LYS A 135 6.317 1.706 -11.537 1.00 1.70 H new ATOM 0 HA LYS A 135 3.878 2.792 -12.789 1.00 2.03 H new ATOM 0 HB2 LYS A 135 5.624 1.762 -14.234 1.00 2.40 H new ATOM 0 HB3 LYS A 135 5.493 0.268 -13.328 1.00 2.40 H new ATOM 0 HG2 LYS A 135 4.258 0.125 -15.445 1.00 3.08 H new ATOM 0 HG3 LYS A 135 3.173 -0.032 -14.077 1.00 3.08 H new ATOM 0 HD2 LYS A 135 2.432 2.278 -14.310 1.00 3.44 H new ATOM 0 HD3 LYS A 135 3.653 2.601 -15.525 1.00 3.44 H new ATOM 0 HE2 LYS A 135 1.428 2.246 -16.546 1.00 3.61 H new ATOM 0 HE3 LYS A 135 2.586 1.049 -17.091 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 0.165 0.444 -16.194 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 1.484 -0.618 -16.082 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 1.030 0.316 -14.739 1.00 4.15 H new ATOM 2179 N GLY A 136 4.074 0.222 -10.756 1.00 1.04 N ATOM 2180 CA GLY A 136 3.295 -0.735 -9.988 1.00 0.79 C ATOM 2181 C GLY A 136 2.256 -0.086 -9.099 1.00 0.65 C ATOM 2182 O GLY A 136 1.066 -0.331 -9.263 1.00 0.57 O ATOM 0 H GLY A 136 5.078 0.187 -10.580 1.00 1.04 H new ATOM 0 HA2 GLY A 136 2.799 -1.422 -10.673 1.00 0.79 H new ATOM 0 HA3 GLY A 136 3.969 -1.331 -9.372 1.00 0.79 H new ATOM 2186 N TRP A 137 2.705 0.763 -8.185 1.00 0.68 N ATOM 2187 CA TRP A 137 1.831 1.330 -7.156 1.00 0.67 C ATOM 2188 C TRP A 137 0.653 2.125 -7.751 1.00 0.57 C ATOM 2189 O TRP A 137 -0.492 1.899 -7.358 1.00 0.56 O ATOM 2190 CB TRP A 137 2.645 2.197 -6.189 1.00 0.81 C ATOM 2191 CG TRP A 137 1.980 2.393 -4.859 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.203 1.490 -4.190 1.00 1.62 C ATOM 2193 CD2 TRP A 137 2.055 3.555 -4.024 1.00 0.93 C ATOM 2194 NE1 TRP A 137 0.780 2.023 -2.998 1.00 1.62 N ATOM 2195 CE2 TRP A 137 1.291 3.289 -2.872 1.00 0.98 C ATOM 2196 CE3 TRP A 137 2.690 4.796 -4.141 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 1.148 4.217 -1.844 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 2.548 5.716 -3.120 1.00 2.78 C ATOM 2199 CH2 TRP A 137 1.781 5.423 -1.984 1.00 2.32 C ATOM 0 H TRP A 137 3.674 1.078 -8.132 1.00 0.68 H new ATOM 0 HA TRP A 137 1.395 0.496 -6.606 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.621 1.737 -6.034 1.00 0.81 H new ATOM 0 HB3 TRP A 137 2.820 3.171 -6.646 1.00 0.81 H new ATOM 0 HD1 TRP A 137 0.957 0.501 -4.547 1.00 1.62 H new ATOM 0 HE1 TRP A 137 0.183 1.554 -2.317 1.00 1.62 H new ATOM 0 HE3 TRP A 137 3.281 5.031 -5.014 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 0.559 3.993 -0.967 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 3.036 6.676 -3.198 1.00 2.78 H new ATOM 0 HH2 TRP A 137 1.687 6.163 -1.203 1.00 2.32 H new ATOM 2210 N PRO A 138 0.889 3.065 -8.695 1.00 0.58 N ATOM 2211 CA PRO A 138 -0.201 3.803 -9.349 1.00 0.61 C ATOM 2212 C PRO A 138 -1.134 2.886 -10.135 1.00 0.58 C ATOM 2213 O PRO A 138 -2.346 3.106 -10.172 1.00 0.64 O ATOM 2214 CB PRO A 138 0.521 4.773 -10.289 1.00 0.68 C ATOM 2215 CG PRO A 138 1.867 4.178 -10.481 1.00 0.66 C ATOM 2216 CD PRO A 138 2.205 3.513 -9.182 1.00 0.63 C ATOM 0 HA PRO A 138 -0.841 4.303 -8.622 1.00 0.61 H new ATOM 0 HB2 PRO A 138 -0.007 4.873 -11.237 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.587 5.770 -9.855 1.00 0.68 H new ATOM 0 HG2 PRO A 138 1.864 3.459 -11.300 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.601 4.943 -10.732 1.00 0.66 H new ATOM 0 HD2 PRO A 138 2.891 2.677 -9.321 1.00 0.63 H new ATOM 0 HD3 PRO A 138 2.681 4.203 -8.486 1.00 0.63 H new ATOM 2224 N THR A 139 -0.575 1.843 -10.746 1.00 0.57 N ATOM 2225 CA THR A 139 -1.392 0.876 -11.465 1.00 0.62 C ATOM 2226 C THR A 139 -2.234 0.090 -10.468 1.00 0.54 C ATOM 2227 O THR A 139 -3.404 -0.229 -10.720 1.00 0.55 O ATOM 2228 CB THR A 139 -0.520 -0.079 -12.301 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.277 0.682 -13.217 1.00 0.81 O ATOM 2230 CG2 THR A 139 -1.369 -1.079 -13.071 1.00 0.87 C ATOM 0 H THR A 139 0.426 1.650 -10.757 1.00 0.57 H new ATOM 0 HA THR A 139 -2.045 1.412 -12.153 1.00 0.62 H new ATOM 0 HB THR A 139 0.122 -0.637 -11.620 1.00 0.72 H new ATOM 0 HG1 THR A 139 0.897 1.252 -12.716 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.721 -1.737 -13.650 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.957 -1.673 -12.371 1.00 0.87 H new ATOM 0 HG23 THR A 139 -2.039 -0.545 -13.745 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.627 -0.188 -9.318 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.317 -0.827 -8.218 1.00 0.47 C ATOM 2240 C ILE A 140 -3.550 -0.031 -7.839 1.00 0.42 C ATOM 2241 O ILE A 140 -4.634 -0.585 -7.754 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.405 -0.986 -6.979 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.319 -2.029 -7.248 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.221 -1.362 -5.748 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.639 -2.227 -6.094 1.00 0.72 C ATOM 0 H ILE A 140 -0.647 0.025 -9.129 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.608 -1.822 -8.553 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.923 -0.028 -6.783 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.794 -2.982 -7.481 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.247 -1.731 -8.130 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.557 -1.468 -4.890 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.954 -0.581 -5.545 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.736 -2.306 -5.927 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.379 -2.981 -6.361 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.143 -1.286 -5.874 1.00 0.72 H new ATOM 0 HD13 ILE A 140 0.086 -2.557 -5.214 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.381 1.273 -7.661 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.466 2.139 -7.214 1.00 0.36 C ATOM 2259 C LEU A 141 -5.661 2.100 -8.166 1.00 0.38 C ATOM 2260 O LEU A 141 -6.805 2.200 -7.731 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.968 3.574 -7.054 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.846 3.759 -6.032 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.525 5.233 -5.859 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.224 3.131 -4.696 1.00 0.56 C ATOM 0 H LEU A 141 -2.497 1.757 -7.820 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.804 1.764 -6.248 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.619 3.932 -8.023 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.809 4.204 -6.766 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.955 3.253 -6.404 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.724 5.348 -5.128 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.207 5.651 -6.814 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.413 5.760 -5.510 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.411 3.274 -3.984 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -4.129 3.604 -4.314 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.403 2.064 -4.833 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.395 1.944 -9.456 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.460 1.875 -10.452 1.00 0.48 C ATOM 2278 C GLN A 142 -7.276 0.596 -10.272 1.00 0.47 C ATOM 2279 O GLN A 142 -8.495 0.640 -10.075 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.869 1.932 -11.863 1.00 0.58 C ATOM 2281 CG GLN A 142 -5.108 3.215 -12.158 1.00 0.88 C ATOM 2282 CD GLN A 142 -5.989 4.447 -12.085 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -6.599 4.845 -13.078 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -6.050 5.068 -10.917 1.00 0.77 N ATOM 0 H GLN A 142 -4.453 1.863 -9.839 1.00 0.43 H new ATOM 0 HA GLN A 142 -7.121 2.731 -10.314 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -5.199 1.083 -12.001 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.675 1.823 -12.589 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -4.287 3.317 -11.448 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -4.664 3.149 -13.151 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -5.529 4.705 -10.119 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -6.618 5.909 -10.816 1.00 0.77 H new ATOM 2293 N SER A 143 -6.595 -0.538 -10.327 1.00 0.49 N ATOM 2294 CA SER A 143 -7.240 -1.829 -10.128 1.00 0.53 C ATOM 2295 C SER A 143 -7.755 -1.956 -8.693 1.00 0.45 C ATOM 2296 O SER A 143 -8.662 -2.733 -8.410 1.00 0.46 O ATOM 2297 CB SER A 143 -6.250 -2.944 -10.455 1.00 0.64 C ATOM 2298 OG SER A 143 -5.849 -2.890 -11.814 1.00 1.15 O ATOM 0 H SER A 143 -5.593 -0.592 -10.508 1.00 0.49 H new ATOM 0 HA SER A 143 -8.098 -1.912 -10.795 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.375 -2.858 -9.811 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.706 -3.912 -10.245 1.00 0.64 H new ATOM 0 HG SER A 143 -5.214 -3.614 -11.997 1.00 1.15 H new ATOM 2304 N PHE A 144 -7.157 -1.185 -7.797 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.585 -1.115 -6.406 1.00 0.36 C ATOM 2306 C PHE A 144 -8.998 -0.544 -6.320 1.00 0.32 C ATOM 2307 O PHE A 144 -9.889 -1.153 -5.728 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.597 -0.242 -5.624 1.00 0.35 C ATOM 2309 CG PHE A 144 -6.952 0.003 -4.190 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -6.953 -1.044 -3.281 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.303 1.267 -3.753 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.297 -0.832 -1.963 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.645 1.484 -2.436 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.579 0.480 -1.531 1.00 0.78 C ATOM 0 H PHE A 144 -6.359 -0.588 -8.014 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.599 -2.115 -5.973 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.614 -0.712 -5.662 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.510 0.720 -6.129 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.681 -2.036 -3.609 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.309 2.092 -4.450 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.350 -1.660 -1.271 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -7.969 2.465 -2.123 1.00 0.68 H new ATOM 0 HZ PHE A 144 -7.742 0.683 -0.483 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.197 0.621 -6.939 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.510 1.266 -6.988 1.00 0.31 C ATOM 2326 C GLN A 145 -11.529 0.344 -7.648 1.00 0.35 C ATOM 2327 O GLN A 145 -12.707 0.336 -7.292 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.432 2.574 -7.779 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.470 3.598 -7.198 1.00 0.41 C ATOM 2330 CD GLN A 145 -9.325 4.826 -8.076 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -10.260 5.221 -8.771 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -8.145 5.424 -8.068 1.00 0.66 N ATOM 0 H GLN A 145 -8.460 1.140 -7.416 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.822 1.479 -5.966 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -10.131 2.349 -8.802 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.428 3.015 -7.829 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -9.820 3.901 -6.211 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.492 3.136 -7.062 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.395 5.065 -7.477 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.985 6.244 -8.653 1.00 0.66 H new ATOM 2341 N ASP A 146 -11.052 -0.432 -8.608 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.908 -1.313 -9.396 1.00 0.43 C ATOM 2343 C ASP A 146 -12.303 -2.558 -8.604 1.00 0.40 C ATOM 2344 O ASP A 146 -13.458 -2.980 -8.642 1.00 0.44 O ATOM 2345 CB ASP A 146 -11.203 -1.708 -10.692 1.00 0.55 C ATOM 2346 CG ASP A 146 -12.144 -2.360 -11.681 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -13.060 -1.666 -12.175 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -11.969 -3.554 -11.986 1.00 1.46 O ATOM 0 H ASP A 146 -10.066 -0.471 -8.864 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.821 -0.769 -9.639 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.759 -0.822 -11.146 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -10.386 -2.393 -10.465 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.346 -3.135 -7.880 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.624 -4.285 -7.025 1.00 0.51 C ATOM 2355 C LYS A 147 -12.609 -3.905 -5.925 1.00 0.48 C ATOM 2356 O LYS A 147 -13.494 -4.681 -5.565 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.327 -4.829 -6.406 1.00 0.64 C ATOM 2358 CG LYS A 147 -10.556 -5.960 -5.412 1.00 0.92 C ATOM 2359 CD LYS A 147 -11.233 -7.151 -6.071 1.00 1.03 C ATOM 2360 CE LYS A 147 -12.279 -7.767 -5.159 1.00 1.25 C ATOM 2361 NZ LYS A 147 -12.939 -8.942 -5.787 1.00 1.74 N ATOM 0 H LYS A 147 -10.374 -2.825 -7.869 1.00 0.42 H new ATOM 0 HA LYS A 147 -12.068 -5.067 -7.641 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.674 -5.183 -7.203 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -9.804 -4.015 -5.904 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -9.602 -6.271 -4.987 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -11.171 -5.601 -4.586 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -11.701 -6.836 -7.003 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -10.485 -7.901 -6.328 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -11.811 -8.071 -4.223 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -13.031 -7.018 -4.911 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -13.437 -9.492 -5.058 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -13.622 -8.616 -6.501 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -12.221 -9.541 -6.242 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.451 -2.701 -5.401 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.337 -2.195 -4.368 1.00 0.40 C ATOM 2377 C ILE A 148 -14.729 -1.946 -4.933 1.00 0.42 C ATOM 2378 O ILE A 148 -15.731 -2.082 -4.232 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.773 -0.904 -3.747 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.438 -1.204 -3.067 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -13.760 -0.306 -2.752 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -10.799 0.000 -2.426 1.00 0.37 C ATOM 0 H ILE A 148 -11.713 -2.053 -5.676 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.409 -2.949 -3.584 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.613 -0.172 -4.539 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -11.592 -1.970 -2.307 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -10.751 -1.620 -3.804 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.340 0.605 -2.326 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.694 -0.071 -3.262 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -13.953 -1.024 -1.955 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -9.856 -0.291 -1.964 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.612 0.760 -3.185 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.466 0.404 -1.665 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.786 -1.607 -6.216 1.00 0.41 N ATOM 2395 CA ASP A 149 -16.058 -1.407 -6.900 1.00 0.49 C ATOM 2396 C ASP A 149 -16.868 -2.698 -6.877 1.00 0.55 C ATOM 2397 O ASP A 149 -18.095 -2.673 -6.805 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.817 -0.952 -8.342 1.00 0.54 C ATOM 2399 CG ASP A 149 -17.092 -0.585 -9.079 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -18.019 -0.048 -8.445 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -17.152 -0.796 -10.310 1.00 0.77 O ATOM 0 H ASP A 149 -13.965 -1.465 -6.804 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.621 -0.630 -6.383 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -15.149 -0.091 -8.337 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -15.308 -1.748 -8.886 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.167 -3.828 -6.882 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.806 -5.138 -6.855 1.00 0.68 C ATOM 2408 C GLU A 150 -17.529 -5.347 -5.536 1.00 0.75 C ATOM 2409 O GLU A 150 -18.547 -6.035 -5.470 1.00 0.89 O ATOM 2410 CB GLU A 150 -15.767 -6.233 -7.062 1.00 0.76 C ATOM 2411 CG GLU A 150 -15.073 -6.159 -8.407 1.00 0.78 C ATOM 2412 CD GLU A 150 -13.866 -7.063 -8.478 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -12.780 -6.574 -8.836 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -13.996 -8.260 -8.153 1.00 1.50 O ATOM 0 H GLU A 150 -15.148 -3.861 -6.905 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.535 -5.186 -7.664 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -15.019 -6.168 -6.272 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.250 -7.205 -6.964 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -15.777 -6.434 -9.192 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.766 -5.131 -8.599 1.00 0.78 H new ATOM 2421 N GLU A 151 -17.004 -4.724 -4.497 1.00 0.72 N ATOM 2422 CA GLU A 151 -17.571 -4.836 -3.167 1.00 0.84 C ATOM 2423 C GLU A 151 -18.696 -3.817 -2.986 1.00 0.88 C ATOM 2424 O GLU A 151 -19.385 -3.809 -1.964 1.00 1.06 O ATOM 2425 CB GLU A 151 -16.472 -4.605 -2.127 1.00 0.86 C ATOM 2426 CG GLU A 151 -15.202 -5.401 -2.392 1.00 0.95 C ATOM 2427 CD GLU A 151 -15.419 -6.901 -2.333 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -15.951 -7.468 -3.309 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -15.061 -7.523 -1.313 1.00 1.63 O ATOM 0 H GLU A 151 -16.177 -4.129 -4.551 1.00 0.72 H new ATOM 0 HA GLU A 151 -17.987 -5.835 -3.034 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -16.226 -3.543 -2.101 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -16.856 -4.868 -1.141 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -14.811 -5.134 -3.374 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -14.444 -5.120 -1.660 1.00 0.95 H new ATOM 2436 N GLY A 152 -18.882 -2.966 -3.991 1.00 0.84 N ATOM 2437 CA GLY A 152 -19.864 -1.906 -3.897 1.00 0.96 C ATOM 2438 C GLY A 152 -20.994 -2.039 -4.898 1.00 1.04 C ATOM 2439 O GLY A 152 -22.129 -2.345 -4.521 1.00 1.32 O ATOM 0 H GLY A 152 -18.367 -2.994 -4.871 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -20.281 -1.896 -2.890 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.368 -0.947 -4.046 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.696 -1.807 -6.171 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.731 -1.793 -7.198 1.00 1.47 C ATOM 2445 C ALA A 153 -21.214 -2.268 -8.554 1.00 1.29 C ATOM 2446 O ALA A 153 -21.780 -1.920 -9.590 1.00 1.70 O ATOM 2447 CB ALA A 153 -22.315 -0.395 -7.322 1.00 1.92 C ATOM 0 H ALA A 153 -19.753 -1.627 -6.515 1.00 1.14 H new ATOM 0 HA ALA A 153 -22.507 -2.493 -6.888 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -23.088 -0.390 -8.091 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -22.750 -0.097 -6.368 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -21.526 0.306 -7.596 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.156 -3.071 -8.550 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.614 -3.622 -9.790 1.00 1.02 C ATOM 2455 C LYS A 154 -20.642 -4.506 -10.483 1.00 1.38 C ATOM 2456 O LYS A 154 -21.243 -4.101 -11.478 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.344 -4.434 -9.521 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.759 -5.101 -10.760 1.00 1.02 C ATOM 2459 CD LYS A 154 -17.240 -4.077 -11.753 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.939 -3.444 -11.281 1.00 0.73 C ATOM 2461 NZ LYS A 154 -15.593 -2.250 -12.088 1.00 1.32 N ATOM 0 H LYS A 154 -19.657 -3.355 -7.707 1.00 1.09 H new ATOM 0 HA LYS A 154 -19.366 -2.783 -10.441 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.591 -3.777 -9.085 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -18.566 -5.201 -8.779 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -16.948 -5.768 -10.467 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -18.521 -5.717 -11.237 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -17.082 -4.555 -12.720 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -17.990 -3.300 -11.900 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -16.030 -3.162 -10.232 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -15.133 -4.175 -11.346 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -14.572 -2.064 -12.013 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -15.842 -2.420 -13.083 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -16.122 -1.427 -11.735 1.00 1.32 H new ATOM 2475 N LYS A 155 -20.854 -5.699 -9.927 1.00 1.82 N ATOM 2476 CA LYS A 155 -21.753 -6.687 -10.512 1.00 2.44 C ATOM 2477 C LYS A 155 -21.255 -7.108 -11.892 1.00 3.14 C ATOM 2478 O LYS A 155 -20.404 -8.017 -11.962 1.00 3.71 O ATOM 2479 CB LYS A 155 -23.174 -6.131 -10.603 1.00 2.82 C ATOM 2480 CG LYS A 155 -23.750 -5.707 -9.262 1.00 2.95 C ATOM 2481 CD LYS A 155 -24.949 -4.783 -9.427 1.00 3.46 C ATOM 2482 CE LYS A 155 -24.541 -3.385 -9.888 1.00 3.45 C ATOM 2483 NZ LYS A 155 -24.036 -3.365 -11.290 1.00 4.22 N ATOM 2484 OXT LYS A 155 -21.699 -6.517 -12.901 1.00 3.60 O ATOM 0 H LYS A 155 -20.408 -6.004 -9.062 1.00 1.82 H new ATOM 0 HA LYS A 155 -21.768 -7.565 -9.867 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -23.177 -5.275 -11.277 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -23.823 -6.887 -11.045 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -24.048 -6.591 -8.699 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -22.980 -5.202 -8.679 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -25.641 -5.214 -10.150 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -25.482 -4.710 -8.479 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -25.397 -2.716 -9.805 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -23.769 -2.999 -9.223 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -24.308 -2.470 -11.744 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -23.000 -3.451 -11.287 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -24.448 -4.160 -11.819 1.00 4.22 H new