USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=34 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 2 TYR OH : rot 180:sc= -0.138 USER MOD Set 1.2: A 133 MET CE :methyl -172:sc= -2.28! (180deg=-2.76!) USER MOD Set 2.1: A 94 SER OG : rot -150:sc= 0.308 USER MOD Set 2.2: A 117 HIS : no HD1:sc= 0 X(o=0.31,f=0.37) USER MOD Set 3.1: A 33 ASN : amide:sc= -2.73! K(o=-4.5!,f=-3.7) USER MOD Set 3.2: A 39 LYS NZ :NH3+ 166:sc= -0.0122 (180deg=-0.165) USER MOD Set 3.3: A 84 ASN : amide:sc= -1.78 K(o=-4.5,f=-7.3!) USER MOD Set 4.1: A 63 HIS : no HD1:sc= -1.76! C(o=-1.6!,f=-3.6!) USER MOD Set 4.2: A 64 THR OG1 : rot 130:sc= 0.144 USER MOD Single : A 1 ASN : amide:sc= -6.35! C(o=-6.4!,f=-7.5!) USER MOD Single : A 1 ASN N :NH3+ -159:sc= 0.904 (180deg=0.468) USER MOD Single : A 8 HIS : no HD1:sc= -5.92! C(o=-5.9!,f=-9.2!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.18) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 117:sc= 0.00282 USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0.677 (180deg=0.555) USER MOD Single : A 22 THR OG1 : rot 75:sc= 0.0758 USER MOD Single : A 34 ASN : amide:sc=-0.00407 K(o=-0.0041,f=-7.5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 38 THR OG1 : rot 17:sc= 0.897 USER MOD Single : A 48 LYS NZ :NH3+ 147:sc= 1.16 (180deg=-0.0662!) USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= 1.19 (180deg=0.278) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -3.34! K(o=-3.3!,f=0.13) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 1.04 (180deg=0.958) USER MOD Single : A 76 THR OG1 : rot -89:sc= 0.928 USER MOD Single : A 93 ASN : amide:sc= -2! K(o=-2!,f=-0.071) USER MOD Single : A 95 SER OG : rot 31:sc= -0.0305 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 88:sc= 0.0974 USER MOD Single : A 106 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.79) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 144:sc= -1.13 (180deg=-3.84!) USER MOD Single : A 109 THR OG1 : rot -4:sc= 0.494 USER MOD Single : A 115 HIS : no HE2:sc= -4.48 K(o=-4.5,f=-6.1!) USER MOD Single : A 116 THR OG1 : rot 94:sc= -1.75! USER MOD Single : A 121 MET CE :methyl 162:sc= -0.101 (180deg=-0.576) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS : no HD1:sc= -0.539 X(o=-0.54,f=-0.57) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 135 LYS NZ :NH3+ -171:sc= -0.0119 (180deg=-0.125) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 143 SER OG : rot -79:sc= -0.0154 USER MOD Single : A 145 GLN : amide:sc= -0.787 X(o=-0.79,f=-0.98) USER MOD Single : A 147 LYS NZ :NH3+ 171:sc= 1.58 (180deg=1.29) USER MOD Single : A 154 LYS NZ :NH3+ 174:sc= 0.938 (180deg=0.77) USER MOD Single : A 155 LYS NZ :NH3+ -111:sc= -1.52! (180deg=-4.48!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 6.669 13.744 -8.441 1.00 1.65 N ATOM 2 CA ASN A 1 6.760 13.368 -7.008 1.00 1.32 C ATOM 3 C ASN A 1 8.194 12.967 -6.655 1.00 1.24 C ATOM 4 O ASN A 1 9.089 13.096 -7.489 1.00 1.61 O ATOM 5 CB ASN A 1 5.765 12.236 -6.669 1.00 1.23 C ATOM 6 CG ASN A 1 5.929 10.993 -7.529 1.00 1.26 C ATOM 7 OD1 ASN A 1 6.423 11.056 -8.653 1.00 1.66 O ATOM 8 ND2 ASN A 1 5.489 9.850 -7.013 1.00 1.42 N ATOM 0 H1 ASN A 1 5.827 14.336 -8.592 1.00 1.65 H new ATOM 0 H2 ASN A 1 7.520 14.276 -8.715 1.00 1.65 H new ATOM 0 H3 ASN A 1 6.596 12.884 -9.022 1.00 1.65 H new ATOM 0 HA ASN A 1 6.489 14.235 -6.405 1.00 1.32 H new ATOM 0 HB2 ASN A 1 5.887 11.960 -5.622 1.00 1.23 H new ATOM 0 HB3 ASN A 1 4.749 12.613 -6.783 1.00 1.23 H new ATOM 0 HD21 ASN A 1 5.556 8.987 -7.553 1.00 1.42 H new ATOM 0 HD22 ASN A 1 5.085 9.835 -6.077 1.00 1.42 H new ATOM 17 N TYR A 2 8.405 12.525 -5.407 1.00 1.16 N ATOM 18 CA TYR A 2 9.732 12.121 -4.890 1.00 1.12 C ATOM 19 C TYR A 2 10.524 13.328 -4.418 1.00 1.22 C ATOM 20 O TYR A 2 10.843 13.439 -3.240 1.00 1.20 O ATOM 21 CB TYR A 2 10.574 11.347 -5.917 1.00 1.31 C ATOM 22 CG TYR A 2 10.094 9.948 -6.231 1.00 1.67 C ATOM 23 CD1 TYR A 2 10.469 8.869 -5.442 1.00 2.21 C ATOM 24 CD2 TYR A 2 9.242 9.713 -7.300 1.00 1.84 C ATOM 25 CE1 TYR A 2 10.009 7.595 -5.712 1.00 2.90 C ATOM 26 CE2 TYR A 2 8.781 8.443 -7.579 1.00 2.43 C ATOM 27 CZ TYR A 2 9.258 7.367 -6.832 1.00 2.97 C ATOM 28 OH TYR A 2 8.703 6.120 -7.053 1.00 3.73 O ATOM 0 H TYR A 2 7.658 12.435 -4.718 1.00 1.16 H new ATOM 0 HA TYR A 2 9.527 11.453 -4.053 1.00 1.12 H new ATOM 0 HB2 TYR A 2 10.601 11.920 -6.844 1.00 1.31 H new ATOM 0 HB3 TYR A 2 11.598 11.287 -5.550 1.00 1.31 H new ATOM 0 HD1 TYR A 2 11.131 9.028 -4.604 1.00 2.21 H new ATOM 0 HD2 TYR A 2 8.934 10.538 -7.925 1.00 1.84 H new ATOM 0 HE1 TYR A 2 10.242 6.781 -5.041 1.00 2.90 H new ATOM 0 HE2 TYR A 2 8.059 8.284 -8.367 1.00 2.43 H new ATOM 0 HH TYR A 2 8.199 6.130 -7.894 1.00 3.73 H new ATOM 38 N ASP A 3 10.842 14.223 -5.348 1.00 1.44 N ATOM 39 CA ASP A 3 11.626 15.413 -5.030 1.00 1.65 C ATOM 40 C ASP A 3 10.980 16.214 -3.893 1.00 1.53 C ATOM 41 O ASP A 3 11.658 16.576 -2.931 1.00 1.62 O ATOM 42 CB ASP A 3 11.820 16.285 -6.274 1.00 1.99 C ATOM 43 CG ASP A 3 12.657 17.513 -5.990 1.00 2.44 C ATOM 44 OD1 ASP A 3 13.887 17.374 -5.829 1.00 2.78 O ATOM 45 OD2 ASP A 3 12.088 18.623 -5.935 1.00 2.63 O ATOM 0 H ASP A 3 10.569 14.147 -6.328 1.00 1.44 H new ATOM 0 HA ASP A 3 12.608 15.086 -4.689 1.00 1.65 H new ATOM 0 HB2 ASP A 3 12.297 15.696 -7.057 1.00 1.99 H new ATOM 0 HB3 ASP A 3 10.846 16.592 -6.655 1.00 1.99 H new ATOM 50 N PRO A 4 9.671 16.528 -3.984 1.00 1.46 N ATOM 51 CA PRO A 4 8.928 17.073 -2.864 1.00 1.45 C ATOM 52 C PRO A 4 8.241 15.975 -2.051 1.00 1.27 C ATOM 53 O PRO A 4 8.644 15.660 -0.930 1.00 1.34 O ATOM 54 CB PRO A 4 7.898 17.992 -3.540 1.00 1.61 C ATOM 55 CG PRO A 4 7.870 17.604 -4.995 1.00 1.63 C ATOM 56 CD PRO A 4 8.820 16.446 -5.175 1.00 1.52 C ATOM 0 HA PRO A 4 9.566 17.594 -2.149 1.00 1.45 H new ATOM 0 HB2 PRO A 4 6.914 17.871 -3.087 1.00 1.61 H new ATOM 0 HB3 PRO A 4 8.176 19.039 -3.423 1.00 1.61 H new ATOM 0 HG2 PRO A 4 6.861 17.323 -5.297 1.00 1.63 H new ATOM 0 HG3 PRO A 4 8.168 18.445 -5.622 1.00 1.63 H new ATOM 0 HD2 PRO A 4 8.291 15.495 -5.228 1.00 1.52 H new ATOM 0 HD3 PRO A 4 9.401 16.539 -6.093 1.00 1.52 H new ATOM 64 N PHE A 5 7.196 15.399 -2.625 1.00 1.17 N ATOM 65 CA PHE A 5 6.479 14.305 -1.999 1.00 1.11 C ATOM 66 C PHE A 5 5.820 13.456 -3.072 1.00 0.94 C ATOM 67 O PHE A 5 5.538 13.950 -4.164 1.00 1.01 O ATOM 68 CB PHE A 5 5.414 14.840 -1.028 1.00 1.40 C ATOM 69 CG PHE A 5 4.316 15.635 -1.687 1.00 1.63 C ATOM 70 CD1 PHE A 5 4.506 16.968 -2.020 1.00 1.75 C ATOM 71 CD2 PHE A 5 3.092 15.047 -1.969 1.00 2.34 C ATOM 72 CE1 PHE A 5 3.500 17.695 -2.625 1.00 2.39 C ATOM 73 CE2 PHE A 5 2.082 15.771 -2.573 1.00 3.21 C ATOM 74 CZ PHE A 5 2.285 17.097 -2.901 1.00 3.19 C ATOM 0 H PHE A 5 6.824 15.677 -3.533 1.00 1.17 H new ATOM 0 HA PHE A 5 7.185 13.698 -1.433 1.00 1.11 H new ATOM 0 HB2 PHE A 5 4.969 13.999 -0.497 1.00 1.40 H new ATOM 0 HB3 PHE A 5 5.902 15.466 -0.281 1.00 1.40 H new ATOM 0 HD1 PHE A 5 5.452 17.443 -1.804 1.00 1.75 H new ATOM 0 HD2 PHE A 5 2.926 14.011 -1.713 1.00 2.34 H new ATOM 0 HE1 PHE A 5 3.663 18.731 -2.883 1.00 2.39 H new ATOM 0 HE2 PHE A 5 1.134 15.300 -2.788 1.00 3.21 H new ATOM 0 HZ PHE A 5 1.496 17.665 -3.372 1.00 3.19 H new ATOM 84 N VAL A 6 5.595 12.185 -2.784 1.00 0.85 N ATOM 85 CA VAL A 6 4.766 11.368 -3.650 1.00 0.79 C ATOM 86 C VAL A 6 3.401 11.233 -2.999 1.00 0.69 C ATOM 87 O VAL A 6 3.298 11.167 -1.772 1.00 0.77 O ATOM 88 CB VAL A 6 5.366 9.964 -3.959 1.00 0.92 C ATOM 89 CG1 VAL A 6 6.884 9.995 -3.977 1.00 1.44 C ATOM 90 CG2 VAL A 6 4.860 8.894 -3.008 1.00 1.41 C ATOM 0 H VAL A 6 5.970 11.702 -1.967 1.00 0.85 H new ATOM 0 HA VAL A 6 4.699 11.867 -4.617 1.00 0.79 H new ATOM 0 HB VAL A 6 5.020 9.697 -4.958 1.00 0.92 H new ATOM 0 HG11 VAL A 6 7.266 8.998 -4.196 1.00 1.44 H new ATOM 0 HG12 VAL A 6 7.225 10.690 -4.744 1.00 1.44 H new ATOM 0 HG13 VAL A 6 7.253 10.319 -3.004 1.00 1.44 H new ATOM 0 HG21 VAL A 6 5.309 7.935 -3.267 1.00 1.41 H new ATOM 0 HG22 VAL A 6 5.132 9.158 -1.986 1.00 1.41 H new ATOM 0 HG23 VAL A 6 3.775 8.820 -3.087 1.00 1.41 H new ATOM 100 N ARG A 7 2.356 11.229 -3.797 1.00 0.64 N ATOM 101 CA ARG A 7 1.020 11.165 -3.252 1.00 0.56 C ATOM 102 C ARG A 7 0.193 10.135 -3.988 1.00 0.54 C ATOM 103 O ARG A 7 0.336 9.957 -5.197 1.00 0.64 O ATOM 104 CB ARG A 7 0.339 12.533 -3.338 1.00 0.57 C ATOM 105 CG ARG A 7 -1.026 12.573 -2.655 1.00 0.57 C ATOM 106 CD ARG A 7 -1.607 13.974 -2.645 1.00 0.71 C ATOM 107 NE ARG A 7 -2.148 14.325 -1.331 1.00 1.61 N ATOM 108 CZ ARG A 7 -2.149 15.558 -0.833 1.00 2.25 C ATOM 109 NH1 ARG A 7 -1.685 16.567 -1.561 1.00 2.26 N ATOM 110 NH2 ARG A 7 -2.616 15.777 0.390 1.00 3.37 N ATOM 0 H ARG A 7 2.405 11.269 -4.815 1.00 0.64 H new ATOM 0 HA ARG A 7 1.096 10.873 -2.205 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.987 13.283 -2.884 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.221 12.807 -4.386 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.710 11.899 -3.170 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -0.932 12.211 -1.631 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -0.834 14.691 -2.924 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -2.395 14.047 -3.395 1.00 0.71 H new ATOM 0 HE ARG A 7 -2.549 13.579 -0.763 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -1.328 16.396 -2.501 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -1.685 17.513 -1.180 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -2.973 15.000 0.946 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -2.618 16.722 0.774 1.00 3.37 H new ATOM 124 N HIS A 8 -0.657 9.445 -3.255 1.00 0.47 N ATOM 125 CA HIS A 8 -1.642 8.575 -3.875 1.00 0.46 C ATOM 126 C HIS A 8 -3.004 9.197 -3.694 1.00 0.39 C ATOM 127 O HIS A 8 -3.367 9.585 -2.593 1.00 0.39 O ATOM 128 CB HIS A 8 -1.548 7.147 -3.285 1.00 0.56 C ATOM 129 CG HIS A 8 -2.839 6.425 -2.974 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.987 5.628 -1.854 1.00 0.46 N ATOM 131 CD2 HIS A 8 -4.004 6.313 -3.657 1.00 0.79 C ATOM 132 CE1 HIS A 8 -4.177 5.062 -1.868 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.812 5.460 -2.948 1.00 0.76 N ATOM 0 H HIS A 8 -0.688 9.467 -2.236 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.453 8.473 -4.944 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.981 6.533 -3.984 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.966 7.203 -2.365 1.00 0.56 H new ATOM 0 HD2 HIS A 8 -4.251 6.804 -4.587 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -4.564 4.386 -1.120 1.00 0.41 H new ATOM 0 HE2 HIS A 8 -5.755 5.179 -3.216 1.00 0.76 H new ATOM 142 N SER A 9 -3.760 9.261 -4.769 1.00 0.42 N ATOM 143 CA SER A 9 -5.070 9.866 -4.722 1.00 0.40 C ATOM 144 C SER A 9 -6.085 8.938 -5.354 1.00 0.41 C ATOM 145 O SER A 9 -6.062 8.690 -6.559 1.00 0.53 O ATOM 146 CB SER A 9 -5.045 11.215 -5.441 1.00 0.52 C ATOM 147 OG SER A 9 -4.036 12.057 -4.908 1.00 1.28 O ATOM 0 H SER A 9 -3.489 8.902 -5.684 1.00 0.42 H new ATOM 0 HA SER A 9 -5.356 10.035 -3.684 1.00 0.40 H new ATOM 0 HB2 SER A 9 -4.870 11.060 -6.506 1.00 0.52 H new ATOM 0 HB3 SER A 9 -6.016 11.700 -5.345 1.00 0.52 H new ATOM 0 HG SER A 9 -4.039 12.913 -5.385 1.00 1.28 H new ATOM 153 N VAL A 10 -6.943 8.397 -4.519 1.00 0.35 N ATOM 154 CA VAL A 10 -7.965 7.466 -4.963 1.00 0.36 C ATOM 155 C VAL A 10 -9.323 7.792 -4.354 1.00 0.32 C ATOM 156 O VAL A 10 -9.434 8.012 -3.151 1.00 0.32 O ATOM 157 CB VAL A 10 -7.562 6.019 -4.598 1.00 0.45 C ATOM 158 CG1 VAL A 10 -8.772 5.122 -4.419 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.636 5.450 -5.656 1.00 1.18 C ATOM 0 H VAL A 10 -6.956 8.586 -3.517 1.00 0.35 H new ATOM 0 HA VAL A 10 -8.049 7.559 -6.046 1.00 0.36 H new ATOM 0 HB VAL A 10 -7.038 6.055 -3.643 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.443 4.115 -4.163 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.400 5.513 -3.618 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -9.344 5.093 -5.347 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -6.359 4.430 -5.387 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -7.144 5.446 -6.620 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.738 6.064 -5.722 1.00 1.18 H new ATOM 169 N THR A 11 -10.344 7.846 -5.191 1.00 0.35 N ATOM 170 CA THR A 11 -11.707 7.915 -4.706 1.00 0.34 C ATOM 171 C THR A 11 -12.374 6.570 -4.906 1.00 0.33 C ATOM 172 O THR A 11 -12.543 6.105 -6.035 1.00 0.43 O ATOM 173 CB THR A 11 -12.521 9.008 -5.429 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.804 10.251 -5.421 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.876 9.203 -4.766 1.00 0.51 C ATOM 0 H THR A 11 -10.254 7.843 -6.207 1.00 0.35 H new ATOM 0 HA THR A 11 -11.676 8.172 -3.647 1.00 0.34 H new ATOM 0 HB THR A 11 -12.675 8.685 -6.458 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.331 10.935 -5.884 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.431 9.979 -5.294 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.436 8.268 -4.801 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.733 9.502 -3.728 1.00 0.51 H new ATOM 183 N VAL A 12 -12.739 5.941 -3.809 1.00 0.29 N ATOM 184 CA VAL A 12 -13.325 4.626 -3.866 1.00 0.35 C ATOM 185 C VAL A 12 -14.842 4.727 -3.785 1.00 0.32 C ATOM 186 O VAL A 12 -15.382 5.719 -3.289 1.00 0.36 O ATOM 187 CB VAL A 12 -12.790 3.716 -2.744 1.00 0.43 C ATOM 188 CG1 VAL A 12 -11.311 3.953 -2.503 1.00 0.91 C ATOM 189 CG2 VAL A 12 -13.578 3.878 -1.458 1.00 0.81 C ATOM 0 H VAL A 12 -12.639 6.322 -2.868 1.00 0.29 H new ATOM 0 HA VAL A 12 -13.044 4.176 -4.818 1.00 0.35 H new ATOM 0 HB VAL A 12 -12.920 2.687 -3.079 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -10.962 3.296 -1.706 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -10.755 3.741 -3.416 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -11.151 4.992 -2.213 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -13.167 3.218 -0.694 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -13.512 4.912 -1.119 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -14.622 3.621 -1.636 1.00 0.81 H new ATOM 199 N LYS A 13 -15.518 3.698 -4.262 1.00 0.34 N ATOM 200 CA LYS A 13 -16.968 3.710 -4.353 1.00 0.38 C ATOM 201 C LYS A 13 -17.578 2.582 -3.523 1.00 0.31 C ATOM 202 O LYS A 13 -18.330 1.754 -4.042 1.00 0.37 O ATOM 203 CB LYS A 13 -17.422 3.616 -5.825 1.00 0.58 C ATOM 204 CG LYS A 13 -16.502 2.795 -6.732 1.00 0.68 C ATOM 205 CD LYS A 13 -15.308 3.615 -7.218 1.00 0.97 C ATOM 206 CE LYS A 13 -14.360 2.800 -8.089 1.00 0.88 C ATOM 207 NZ LYS A 13 -14.927 2.516 -9.435 1.00 0.98 N ATOM 0 H LYS A 13 -15.083 2.837 -4.595 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.325 4.656 -3.946 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -18.421 3.180 -5.855 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -17.502 4.625 -6.230 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -16.145 1.919 -6.191 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -17.067 2.432 -7.590 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -15.667 4.475 -7.783 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.763 4.004 -6.358 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -13.420 3.340 -8.201 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -14.130 1.859 -7.589 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -14.225 2.004 -10.006 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -15.783 1.934 -9.335 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -15.169 3.411 -9.906 1.00 0.98 H new ATOM 221 N ALA A 14 -17.239 2.557 -2.232 1.00 0.29 N ATOM 222 CA ALA A 14 -17.795 1.570 -1.310 1.00 0.30 C ATOM 223 C ALA A 14 -17.510 1.930 0.148 1.00 0.28 C ATOM 224 O ALA A 14 -17.460 1.049 1.006 1.00 0.31 O ATOM 225 CB ALA A 14 -17.254 0.184 -1.624 1.00 0.36 C ATOM 0 H ALA A 14 -16.582 3.210 -1.804 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.876 1.570 -1.446 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -17.679 -0.539 -0.927 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.527 -0.091 -2.643 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.168 0.187 -1.527 1.00 0.36 H new ATOM 231 N ASP A 15 -17.337 3.227 0.418 1.00 0.28 N ATOM 232 CA ASP A 15 -17.156 3.734 1.791 1.00 0.31 C ATOM 233 C ASP A 15 -15.757 3.403 2.343 1.00 0.28 C ATOM 234 O ASP A 15 -15.017 2.600 1.765 1.00 0.29 O ATOM 235 CB ASP A 15 -18.265 3.185 2.714 1.00 0.39 C ATOM 236 CG ASP A 15 -18.118 3.609 4.164 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.574 2.816 4.961 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.542 4.729 4.508 1.00 0.76 O ATOM 0 H ASP A 15 -17.318 3.953 -0.298 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.236 4.821 1.761 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.233 3.521 2.343 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.263 2.096 2.661 1.00 0.39 H new ATOM 243 N ARG A 16 -15.406 4.036 3.461 1.00 0.28 N ATOM 244 CA ARG A 16 -14.069 3.945 4.040 1.00 0.27 C ATOM 245 C ARG A 16 -13.822 2.568 4.638 1.00 0.28 C ATOM 246 O ARG A 16 -12.680 2.107 4.708 1.00 0.28 O ATOM 247 CB ARG A 16 -13.900 5.027 5.111 1.00 0.29 C ATOM 248 CG ARG A 16 -12.476 5.206 5.603 1.00 0.28 C ATOM 249 CD ARG A 16 -12.338 6.463 6.451 1.00 0.40 C ATOM 250 NE ARG A 16 -13.222 6.444 7.619 1.00 0.93 N ATOM 251 CZ ARG A 16 -13.283 7.417 8.530 1.00 1.32 C ATOM 252 NH1 ARG A 16 -12.526 8.502 8.398 1.00 1.37 N ATOM 253 NH2 ARG A 16 -14.097 7.301 9.576 1.00 1.88 N ATOM 0 H ARG A 16 -16.044 4.628 3.992 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.337 4.100 3.248 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.255 5.976 4.710 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.537 4.782 5.961 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.179 4.336 6.188 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.799 5.263 4.751 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.304 6.564 6.782 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.564 7.337 5.841 1.00 0.40 H new ATOM 0 HE ARG A 16 -13.830 5.635 7.744 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.898 8.591 7.600 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -12.574 9.245 9.095 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.675 6.468 9.682 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -14.143 8.046 10.272 1.00 1.88 H new ATOM 267 N LYS A 17 -14.899 1.916 5.057 1.00 0.33 N ATOM 268 CA LYS A 17 -14.829 0.579 5.609 1.00 0.39 C ATOM 269 C LYS A 17 -14.206 -0.378 4.598 1.00 0.35 C ATOM 270 O LYS A 17 -13.229 -1.064 4.895 1.00 0.37 O ATOM 271 CB LYS A 17 -16.240 0.127 5.976 1.00 0.53 C ATOM 272 CG LYS A 17 -16.364 -1.338 6.330 1.00 1.34 C ATOM 273 CD LYS A 17 -17.822 -1.730 6.419 1.00 1.70 C ATOM 274 CE LYS A 17 -17.993 -3.228 6.528 1.00 2.46 C ATOM 275 NZ LYS A 17 -19.426 -3.615 6.453 1.00 3.05 N ATOM 0 H LYS A 17 -15.842 2.303 5.022 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.203 0.579 6.501 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.589 0.721 6.821 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.905 0.342 5.139 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -15.861 -1.946 5.578 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -15.868 -1.534 7.281 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -18.276 -1.248 7.285 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -18.351 -1.367 5.538 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -17.439 -3.719 5.727 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -17.569 -3.577 7.469 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -19.511 -4.649 6.531 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -19.948 -3.165 7.232 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -19.823 -3.302 5.544 1.00 3.05 H new ATOM 289 N THR A 18 -14.762 -0.390 3.395 1.00 0.35 N ATOM 290 CA THR A 18 -14.283 -1.246 2.337 1.00 0.36 C ATOM 291 C THR A 18 -12.927 -0.773 1.813 1.00 0.33 C ATOM 292 O THR A 18 -12.074 -1.586 1.468 1.00 0.37 O ATOM 293 CB THR A 18 -15.318 -1.295 1.203 1.00 0.41 C ATOM 294 OG1 THR A 18 -16.531 -1.884 1.690 1.00 1.11 O ATOM 295 CG2 THR A 18 -14.806 -2.082 0.018 1.00 0.80 C ATOM 0 H THR A 18 -15.556 0.195 3.132 1.00 0.35 H new ATOM 0 HA THR A 18 -14.146 -2.250 2.738 1.00 0.36 H new ATOM 0 HB THR A 18 -15.507 -0.275 0.869 1.00 0.41 H new ATOM 0 HG1 THR A 18 -17.254 -1.224 1.649 1.00 1.11 H new ATOM 0 HG21 THR A 18 -15.564 -2.096 -0.765 1.00 0.80 H new ATOM 0 HG22 THR A 18 -13.898 -1.615 -0.364 1.00 0.80 H new ATOM 0 HG23 THR A 18 -14.586 -3.104 0.327 1.00 0.80 H new ATOM 303 N ALA A 19 -12.721 0.544 1.785 1.00 0.29 N ATOM 304 CA ALA A 19 -11.449 1.104 1.337 1.00 0.29 C ATOM 305 C ALA A 19 -10.294 0.556 2.167 1.00 0.28 C ATOM 306 O ALA A 19 -9.276 0.125 1.627 1.00 0.32 O ATOM 307 CB ALA A 19 -11.476 2.626 1.400 1.00 0.31 C ATOM 0 H ALA A 19 -13.414 1.238 2.065 1.00 0.29 H new ATOM 0 HA ALA A 19 -11.297 0.807 0.299 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.518 3.021 1.062 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -12.271 3.003 0.757 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.658 2.944 2.426 1.00 0.31 H new ATOM 313 N PHE A 20 -10.469 0.562 3.483 1.00 0.25 N ATOM 314 CA PHE A 20 -9.471 0.014 4.391 1.00 0.26 C ATOM 315 C PHE A 20 -9.427 -1.506 4.286 1.00 0.31 C ATOM 316 O PHE A 20 -8.349 -2.105 4.255 1.00 0.33 O ATOM 317 CB PHE A 20 -9.782 0.435 5.827 1.00 0.28 C ATOM 318 CG PHE A 20 -8.947 -0.260 6.864 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.664 0.184 7.144 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.441 -1.356 7.551 1.00 0.34 C ATOM 321 CE1 PHE A 20 -6.888 -0.455 8.091 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.669 -1.997 8.500 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.415 -1.545 8.790 1.00 0.38 C ATOM 0 H PHE A 20 -11.295 0.942 3.945 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.494 0.407 4.110 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.635 1.511 5.919 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.834 0.239 6.032 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.267 1.039 6.616 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.439 -1.713 7.343 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -5.882 -0.115 8.290 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.061 -2.861 9.016 1.00 0.38 H new ATOM 0 HZ PHE A 20 -6.830 -2.029 9.558 1.00 0.38 H new ATOM 333 N LYS A 21 -10.606 -2.119 4.237 1.00 0.35 N ATOM 334 CA LYS A 21 -10.720 -3.563 4.092 1.00 0.42 C ATOM 335 C LYS A 21 -9.900 -4.051 2.908 1.00 0.44 C ATOM 336 O LYS A 21 -9.083 -4.952 3.045 1.00 0.49 O ATOM 337 CB LYS A 21 -12.187 -3.962 3.911 1.00 0.49 C ATOM 338 CG LYS A 21 -12.382 -5.365 3.356 1.00 0.64 C ATOM 339 CD LYS A 21 -11.875 -6.426 4.319 1.00 1.24 C ATOM 340 CE LYS A 21 -11.946 -7.815 3.711 1.00 1.79 C ATOM 341 NZ LYS A 21 -10.959 -8.008 2.615 1.00 2.39 N ATOM 0 H LYS A 21 -11.501 -1.632 4.296 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.333 -4.029 4.998 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.694 -3.889 4.873 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.667 -3.248 3.242 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -13.440 -5.533 3.154 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.857 -5.456 2.405 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -10.845 -6.203 4.597 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -12.466 -6.399 5.235 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -11.770 -8.558 4.489 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -12.951 -7.989 3.326 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -11.013 -8.987 2.268 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -11.172 -7.352 1.836 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -10.001 -7.820 2.973 1.00 2.39 H new ATOM 355 N THR A 22 -10.113 -3.449 1.757 1.00 0.43 N ATOM 356 CA THR A 22 -9.398 -3.839 0.566 1.00 0.48 C ATOM 357 C THR A 22 -7.913 -3.490 0.683 1.00 0.49 C ATOM 358 O THR A 22 -7.060 -4.358 0.527 1.00 0.68 O ATOM 359 CB THR A 22 -10.017 -3.174 -0.677 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.415 -3.486 -0.736 1.00 0.48 O ATOM 361 CG2 THR A 22 -9.346 -3.647 -1.955 1.00 0.58 C ATOM 0 H THR A 22 -10.777 -2.687 1.623 1.00 0.43 H new ATOM 0 HA THR A 22 -9.483 -4.920 0.456 1.00 0.48 H new ATOM 0 HB THR A 22 -9.870 -2.097 -0.593 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.896 -2.960 -0.063 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.809 -3.157 -2.812 1.00 0.58 H new ATOM 0 HG22 THR A 22 -8.285 -3.397 -1.923 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.462 -4.727 -2.049 1.00 0.58 H new ATOM 369 N PHE A 23 -7.613 -2.235 1.016 1.00 0.37 N ATOM 370 CA PHE A 23 -6.233 -1.745 1.017 1.00 0.38 C ATOM 371 C PHE A 23 -5.332 -2.538 1.966 1.00 0.38 C ATOM 372 O PHE A 23 -4.178 -2.812 1.641 1.00 0.43 O ATOM 373 CB PHE A 23 -6.190 -0.256 1.383 1.00 0.37 C ATOM 374 CG PHE A 23 -4.816 0.358 1.277 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.352 0.836 0.060 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.993 0.465 2.393 1.00 0.40 C ATOM 377 CE1 PHE A 23 -3.097 1.403 -0.045 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.737 1.031 2.290 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.278 1.481 1.091 1.00 0.48 C ATOM 0 H PHE A 23 -8.306 -1.538 1.289 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.850 -1.884 0.006 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.872 0.289 0.731 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.556 -0.131 2.402 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.980 0.764 -0.816 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.339 0.102 3.349 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.749 1.783 -0.994 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -2.114 1.117 3.168 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.285 1.898 1.014 1.00 0.48 H new ATOM 389 N LEU A 24 -5.844 -2.901 3.136 1.00 0.35 N ATOM 390 CA LEU A 24 -5.009 -3.572 4.124 1.00 0.37 C ATOM 391 C LEU A 24 -5.458 -5.007 4.379 1.00 0.39 C ATOM 392 O LEU A 24 -4.645 -5.929 4.372 1.00 0.48 O ATOM 393 CB LEU A 24 -4.999 -2.793 5.439 1.00 0.40 C ATOM 394 CG LEU A 24 -3.953 -3.266 6.447 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.556 -3.067 5.883 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.098 -2.532 7.766 1.00 0.44 C ATOM 0 H LEU A 24 -6.811 -2.747 3.420 1.00 0.35 H new ATOM 0 HA LEU A 24 -4.000 -3.606 3.714 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -4.825 -1.739 5.221 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -5.985 -2.865 5.897 1.00 0.40 H new ATOM 0 HG LEU A 24 -4.113 -4.328 6.632 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -1.818 -3.407 6.610 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.450 -3.641 4.962 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.396 -2.010 5.672 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.341 -2.888 8.465 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -3.967 -1.462 7.603 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.090 -2.718 8.179 1.00 0.44 H new ATOM 408 N GLU A 25 -6.753 -5.206 4.582 1.00 0.40 N ATOM 409 CA GLU A 25 -7.262 -6.512 4.988 1.00 0.46 C ATOM 410 C GLU A 25 -7.581 -7.378 3.774 1.00 0.54 C ATOM 411 O GLU A 25 -8.317 -8.362 3.877 1.00 1.01 O ATOM 412 CB GLU A 25 -8.517 -6.354 5.847 1.00 0.51 C ATOM 413 CG GLU A 25 -8.359 -5.371 6.993 1.00 0.66 C ATOM 414 CD GLU A 25 -9.499 -5.458 7.981 1.00 0.91 C ATOM 415 OE1 GLU A 25 -9.231 -5.753 9.163 1.00 1.24 O ATOM 416 OE2 GLU A 25 -10.662 -5.275 7.576 1.00 1.18 O ATOM 0 H GLU A 25 -7.467 -4.486 4.474 1.00 0.40 H new ATOM 0 HA GLU A 25 -6.484 -7.003 5.573 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -9.341 -6.028 5.212 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.793 -7.328 6.252 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -7.418 -5.565 7.508 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -8.302 -4.358 6.595 1.00 0.66 H new ATOM 423 N GLY A 26 -7.041 -7.001 2.626 1.00 0.37 N ATOM 424 CA GLY A 26 -7.293 -7.742 1.411 1.00 0.45 C ATOM 425 C GLY A 26 -6.129 -7.674 0.454 1.00 0.48 C ATOM 426 O GLY A 26 -6.319 -7.584 -0.749 1.00 0.83 O ATOM 0 H GLY A 26 -6.430 -6.192 2.515 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.498 -8.784 1.658 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.185 -7.348 0.925 1.00 0.45 H new ATOM 430 N PHE A 27 -4.924 -7.737 0.992 1.00 0.42 N ATOM 431 CA PHE A 27 -3.711 -7.636 0.187 1.00 0.44 C ATOM 432 C PHE A 27 -3.745 -8.625 -0.991 1.00 0.47 C ATOM 433 O PHE A 27 -3.471 -8.242 -2.128 1.00 0.53 O ATOM 434 CB PHE A 27 -2.476 -7.868 1.069 1.00 0.48 C ATOM 435 CG PHE A 27 -1.199 -7.335 0.491 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.054 -5.982 0.229 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.136 -8.182 0.228 1.00 0.63 C ATOM 438 CE1 PHE A 27 0.126 -5.487 -0.286 1.00 0.65 C ATOM 439 CE2 PHE A 27 1.048 -7.691 -0.287 1.00 0.74 C ATOM 440 CZ PHE A 27 1.179 -6.342 -0.545 1.00 0.71 C ATOM 0 H PHE A 27 -4.755 -7.859 1.991 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.654 -6.632 -0.232 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.644 -7.402 2.040 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.364 -8.938 1.244 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -1.874 -5.308 0.430 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.234 -9.239 0.428 1.00 0.63 H new ATOM 0 HE1 PHE A 27 0.226 -4.431 -0.487 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.870 -8.362 -0.487 1.00 0.74 H new ATOM 0 HZ PHE A 27 2.103 -5.956 -0.949 1.00 0.71 H new ATOM 450 N PRO A 28 -4.079 -9.915 -0.748 1.00 0.49 N ATOM 451 CA PRO A 28 -4.248 -10.895 -1.828 1.00 0.57 C ATOM 452 C PRO A 28 -5.670 -10.973 -2.417 1.00 0.59 C ATOM 453 O PRO A 28 -6.040 -12.006 -2.975 1.00 0.76 O ATOM 454 CB PRO A 28 -3.920 -12.192 -1.106 1.00 0.73 C ATOM 455 CG PRO A 28 -4.504 -11.996 0.244 1.00 0.74 C ATOM 456 CD PRO A 28 -4.222 -10.560 0.584 1.00 0.52 C ATOM 0 HA PRO A 28 -3.631 -10.649 -2.692 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -4.357 -13.054 -1.611 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -2.845 -12.363 -1.057 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -5.575 -12.199 0.244 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -4.052 -12.670 0.971 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -5.034 -10.116 1.161 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.315 -10.458 1.180 1.00 0.52 H new ATOM 464 N GLU A 29 -6.470 -9.912 -2.310 1.00 0.54 N ATOM 465 CA GLU A 29 -7.828 -9.956 -2.865 1.00 0.67 C ATOM 466 C GLU A 29 -7.930 -9.149 -4.155 1.00 0.69 C ATOM 467 O GLU A 29 -8.924 -9.248 -4.876 1.00 0.85 O ATOM 468 CB GLU A 29 -8.877 -9.437 -1.869 1.00 0.85 C ATOM 469 CG GLU A 29 -8.993 -7.918 -1.830 1.00 0.90 C ATOM 470 CD GLU A 29 -10.206 -7.432 -1.050 1.00 1.18 C ATOM 471 OE1 GLU A 29 -10.131 -7.353 0.192 1.00 1.21 O ATOM 472 OE2 GLU A 29 -11.245 -7.127 -1.678 1.00 1.49 O ATOM 0 H GLU A 29 -6.214 -9.034 -1.858 1.00 0.54 H new ATOM 0 HA GLU A 29 -8.034 -11.005 -3.076 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -9.848 -9.859 -2.126 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -8.627 -9.798 -0.872 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -8.090 -7.502 -1.383 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -9.048 -7.537 -2.850 1.00 0.90 H new ATOM 479 N TRP A 30 -6.912 -8.350 -4.446 1.00 0.64 N ATOM 480 CA TRP A 30 -6.965 -7.449 -5.590 1.00 0.81 C ATOM 481 C TRP A 30 -6.570 -8.197 -6.865 1.00 0.66 C ATOM 482 O TRP A 30 -6.551 -9.428 -6.894 1.00 0.74 O ATOM 483 CB TRP A 30 -6.022 -6.251 -5.404 1.00 1.07 C ATOM 484 CG TRP A 30 -5.942 -5.691 -4.018 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.909 -5.698 -3.062 1.00 0.50 C ATOM 486 CD2 TRP A 30 -4.821 -5.010 -3.445 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.444 -5.096 -1.921 1.00 0.80 N ATOM 488 CE2 TRP A 30 -5.171 -4.658 -2.134 1.00 2.05 C ATOM 489 CE3 TRP A 30 -3.552 -4.674 -3.911 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -4.300 -3.985 -1.282 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -2.687 -4.003 -3.068 1.00 4.62 C ATOM 492 CH2 TRP A 30 -3.065 -3.667 -1.765 1.00 4.29 C ATOM 0 H TRP A 30 -6.045 -8.307 -3.910 1.00 0.64 H new ATOM 0 HA TRP A 30 -7.988 -7.081 -5.672 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -5.020 -6.550 -5.712 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -6.339 -5.456 -6.079 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -7.897 -6.116 -3.183 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -6.967 -4.993 -1.052 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -3.249 -4.934 -4.915 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -4.592 -3.724 -0.275 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -1.703 -3.734 -3.422 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -2.366 -3.145 -1.128 1.00 4.29 H new ATOM 503 N TRP A 31 -6.269 -7.453 -7.923 1.00 0.55 N ATOM 504 CA TRP A 31 -5.762 -8.054 -9.150 1.00 0.57 C ATOM 505 C TRP A 31 -4.632 -7.240 -9.848 1.00 0.60 C ATOM 506 O TRP A 31 -4.378 -7.473 -11.029 1.00 0.74 O ATOM 507 CB TRP A 31 -6.926 -8.287 -10.126 1.00 0.74 C ATOM 508 CG TRP A 31 -7.620 -7.036 -10.591 1.00 0.62 C ATOM 509 CD1 TRP A 31 -8.397 -6.189 -9.846 1.00 0.69 C ATOM 510 CD2 TRP A 31 -7.619 -6.504 -11.922 1.00 1.24 C ATOM 511 NE1 TRP A 31 -8.869 -5.168 -10.629 1.00 1.10 N ATOM 512 CE2 TRP A 31 -8.406 -5.337 -11.908 1.00 1.54 C ATOM 513 CE3 TRP A 31 -7.024 -6.900 -13.124 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -8.614 -4.564 -13.048 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -7.232 -6.132 -14.254 1.00 2.53 C ATOM 516 CH2 TRP A 31 -8.020 -4.976 -14.209 1.00 2.78 C ATOM 0 H TRP A 31 -6.367 -6.438 -7.956 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.304 -8.999 -8.859 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.549 -8.822 -10.998 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -7.659 -8.936 -9.647 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -8.607 -6.308 -8.793 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -9.468 -4.406 -10.311 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -6.413 -7.790 -13.168 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -9.222 -3.672 -13.016 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -6.779 -6.429 -15.188 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -8.162 -4.397 -15.110 1.00 2.78 H new ATOM 527 N PRO A 32 -3.910 -6.293 -9.169 1.00 0.71 N ATOM 528 CA PRO A 32 -2.831 -5.548 -9.823 1.00 0.84 C ATOM 529 C PRO A 32 -1.495 -6.306 -9.827 1.00 0.85 C ATOM 530 O PRO A 32 -1.360 -7.332 -10.492 1.00 1.36 O ATOM 531 CB PRO A 32 -2.736 -4.263 -8.998 1.00 1.01 C ATOM 532 CG PRO A 32 -3.261 -4.602 -7.638 1.00 0.92 C ATOM 533 CD PRO A 32 -4.089 -5.852 -7.770 1.00 0.87 C ATOM 0 HA PRO A 32 -3.041 -5.374 -10.878 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.706 -3.912 -8.941 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -3.321 -3.464 -9.453 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.440 -4.758 -6.938 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -3.863 -3.783 -7.245 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -3.757 -6.619 -7.070 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.138 -5.654 -7.551 1.00 0.87 H new ATOM 541 N ASN A 33 -0.509 -5.795 -9.088 1.00 0.53 N ATOM 542 CA ASN A 33 0.806 -6.440 -9.002 1.00 0.57 C ATOM 543 C ASN A 33 0.743 -7.608 -8.026 1.00 0.67 C ATOM 544 O ASN A 33 1.625 -8.466 -7.976 1.00 0.72 O ATOM 545 CB ASN A 33 1.868 -5.442 -8.527 1.00 0.60 C ATOM 546 CG ASN A 33 3.275 -6.015 -8.611 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.619 -6.709 -9.565 1.00 1.51 O ATOM 548 ND2 ASN A 33 4.085 -5.763 -7.595 1.00 0.76 N ATOM 0 H ASN A 33 -0.594 -4.938 -8.541 1.00 0.53 H new ATOM 0 HA ASN A 33 1.078 -6.800 -9.994 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.810 -4.537 -9.132 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.657 -5.152 -7.498 1.00 0.60 H new ATOM 0 HD21 ASN A 33 5.029 -6.149 -7.587 1.00 0.76 H new ATOM 0 HD22 ASN A 33 3.765 -5.182 -6.820 1.00 0.76 H new ATOM 555 N ASN A 34 -0.333 -7.631 -7.266 1.00 0.85 N ATOM 556 CA ASN A 34 -0.527 -8.598 -6.197 1.00 1.03 C ATOM 557 C ASN A 34 -1.233 -9.839 -6.730 1.00 1.40 C ATOM 558 O ASN A 34 -1.966 -10.519 -6.008 1.00 1.74 O ATOM 559 CB ASN A 34 -1.357 -7.939 -5.095 1.00 1.07 C ATOM 560 CG ASN A 34 -0.796 -6.588 -4.696 1.00 1.16 C ATOM 561 OD1 ASN A 34 -1.074 -5.577 -5.341 1.00 1.79 O ATOM 562 ND2 ASN A 34 -0.011 -6.556 -3.636 1.00 1.47 N ATOM 0 H ASN A 34 -1.106 -6.974 -7.371 1.00 0.85 H new ATOM 0 HA ASN A 34 0.437 -8.909 -5.795 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -2.385 -7.819 -5.437 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -1.386 -8.592 -4.223 1.00 1.07 H new ATOM 0 HD21 ASN A 34 0.389 -5.671 -3.324 1.00 1.47 H new ATOM 0 HD22 ASN A 34 0.195 -7.416 -3.128 1.00 1.47 H new ATOM 569 N PHE A 35 -0.983 -10.138 -7.995 1.00 1.51 N ATOM 570 CA PHE A 35 -1.653 -11.234 -8.682 1.00 1.98 C ATOM 571 C PHE A 35 -0.782 -12.495 -8.679 1.00 2.03 C ATOM 572 O PHE A 35 -1.157 -13.529 -9.231 1.00 2.51 O ATOM 573 CB PHE A 35 -1.980 -10.804 -10.120 1.00 2.40 C ATOM 574 CG PHE A 35 -2.819 -11.782 -10.893 1.00 2.92 C ATOM 575 CD1 PHE A 35 -2.281 -12.473 -11.965 1.00 3.19 C ATOM 576 CD2 PHE A 35 -4.143 -12.009 -10.550 1.00 3.49 C ATOM 577 CE1 PHE A 35 -3.046 -13.372 -12.683 1.00 3.91 C ATOM 578 CE2 PHE A 35 -4.912 -12.909 -11.263 1.00 4.27 C ATOM 579 CZ PHE A 35 -4.363 -13.591 -12.332 1.00 4.45 C ATOM 0 H PHE A 35 -0.313 -9.631 -8.573 1.00 1.51 H new ATOM 0 HA PHE A 35 -2.578 -11.472 -8.157 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.499 -9.846 -10.089 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -1.046 -10.643 -10.658 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -1.251 -12.307 -12.244 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -4.578 -11.477 -9.717 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -2.614 -13.903 -13.518 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -5.942 -13.079 -10.985 1.00 4.27 H new ATOM 0 HZ PHE A 35 -4.963 -14.294 -12.892 1.00 4.45 H new ATOM 589 N ARG A 36 0.377 -12.416 -8.041 1.00 1.65 N ATOM 590 CA ARG A 36 1.314 -13.532 -8.045 1.00 1.75 C ATOM 591 C ARG A 36 1.494 -14.138 -6.659 1.00 1.59 C ATOM 592 O ARG A 36 1.349 -13.462 -5.643 1.00 1.48 O ATOM 593 CB ARG A 36 2.671 -13.090 -8.592 1.00 1.73 C ATOM 594 CG ARG A 36 2.663 -12.774 -10.077 1.00 1.84 C ATOM 595 CD ARG A 36 2.136 -13.947 -10.885 1.00 2.25 C ATOM 596 NE ARG A 36 2.430 -13.809 -12.307 1.00 2.72 N ATOM 597 CZ ARG A 36 1.622 -14.220 -13.282 1.00 3.34 C ATOM 598 NH1 ARG A 36 0.436 -14.747 -12.999 1.00 3.59 N ATOM 599 NH2 ARG A 36 2.005 -14.110 -14.543 1.00 4.14 N ATOM 0 H ARG A 36 0.690 -11.598 -7.518 1.00 1.65 H new ATOM 0 HA ARG A 36 0.890 -14.299 -8.693 1.00 1.75 H new ATOM 0 HB2 ARG A 36 3.002 -12.208 -8.045 1.00 1.73 H new ATOM 0 HB3 ARG A 36 3.402 -13.876 -8.402 1.00 1.73 H new ATOM 0 HG2 ARG A 36 2.045 -11.895 -10.261 1.00 1.84 H new ATOM 0 HG3 ARG A 36 3.673 -12.528 -10.405 1.00 1.84 H new ATOM 0 HD2 ARG A 36 2.577 -14.871 -10.512 1.00 2.25 H new ATOM 0 HD3 ARG A 36 1.058 -14.029 -10.744 1.00 2.25 H new ATOM 0 HE ARG A 36 3.312 -13.369 -12.571 1.00 2.72 H new ATOM 0 HH11 ARG A 36 0.138 -14.840 -12.028 1.00 3.59 H new ATOM 0 HH12 ARG A 36 -0.176 -15.059 -13.753 1.00 3.59 H new ATOM 0 HH21 ARG A 36 2.917 -13.711 -14.766 1.00 4.14 H new ATOM 0 HH22 ARG A 36 1.388 -14.424 -15.292 1.00 4.14 H new ATOM 613 N THR A 37 1.822 -15.421 -6.636 1.00 1.75 N ATOM 614 CA THR A 37 2.103 -16.127 -5.400 1.00 1.72 C ATOM 615 C THR A 37 3.537 -15.851 -4.965 1.00 1.37 C ATOM 616 O THR A 37 4.404 -15.636 -5.813 1.00 1.37 O ATOM 617 CB THR A 37 1.892 -17.642 -5.574 1.00 2.19 C ATOM 618 OG1 THR A 37 2.574 -18.090 -6.754 1.00 2.53 O ATOM 619 CG2 THR A 37 0.411 -17.980 -5.673 1.00 2.68 C ATOM 0 H THR A 37 1.900 -15.999 -7.473 1.00 1.75 H new ATOM 0 HA THR A 37 1.415 -15.770 -4.634 1.00 1.72 H new ATOM 0 HB THR A 37 2.299 -18.150 -4.700 1.00 2.19 H new ATOM 0 HG1 THR A 37 2.440 -19.055 -6.863 1.00 2.53 H new ATOM 0 HG21 THR A 37 0.291 -19.056 -5.795 1.00 2.68 H new ATOM 0 HG22 THR A 37 -0.097 -17.659 -4.764 1.00 2.68 H new ATOM 0 HG23 THR A 37 -0.023 -17.467 -6.531 1.00 2.68 H new ATOM 627 N THR A 38 3.774 -15.836 -3.646 1.00 1.24 N ATOM 628 CA THR A 38 5.071 -15.451 -3.060 1.00 1.07 C ATOM 629 C THR A 38 5.545 -14.092 -3.578 1.00 1.09 C ATOM 630 O THR A 38 6.711 -13.721 -3.436 1.00 1.38 O ATOM 631 CB THR A 38 6.176 -16.514 -3.289 1.00 1.16 C ATOM 632 OG1 THR A 38 6.329 -16.825 -4.680 1.00 1.42 O ATOM 633 CG2 THR A 38 5.866 -17.784 -2.515 1.00 1.37 C ATOM 0 H THR A 38 3.072 -16.091 -2.951 1.00 1.24 H new ATOM 0 HA THR A 38 4.897 -15.380 -1.986 1.00 1.07 H new ATOM 0 HB THR A 38 7.112 -16.090 -2.927 1.00 1.16 H new ATOM 0 HG1 THR A 38 5.905 -16.126 -5.220 1.00 1.42 H new ATOM 0 HG21 THR A 38 6.653 -18.517 -2.689 1.00 1.37 H new ATOM 0 HG22 THR A 38 5.811 -17.557 -1.450 1.00 1.37 H new ATOM 0 HG23 THR A 38 4.911 -18.190 -2.850 1.00 1.37 H new ATOM 641 N LYS A 39 4.621 -13.346 -4.154 1.00 0.96 N ATOM 642 CA LYS A 39 4.926 -12.054 -4.733 1.00 1.09 C ATOM 643 C LYS A 39 3.775 -11.102 -4.467 1.00 1.22 C ATOM 644 O LYS A 39 2.892 -10.928 -5.305 1.00 1.97 O ATOM 645 CB LYS A 39 5.187 -12.196 -6.234 1.00 1.15 C ATOM 646 CG LYS A 39 5.915 -11.020 -6.878 1.00 1.49 C ATOM 647 CD LYS A 39 5.009 -9.819 -7.116 1.00 1.66 C ATOM 648 CE LYS A 39 5.676 -8.780 -8.002 1.00 2.28 C ATOM 649 NZ LYS A 39 5.811 -9.246 -9.409 1.00 2.90 N ATOM 0 H LYS A 39 3.641 -13.619 -4.233 1.00 0.96 H new ATOM 0 HA LYS A 39 5.829 -11.650 -4.274 1.00 1.09 H new ATOM 0 HB2 LYS A 39 5.771 -13.101 -6.401 1.00 1.15 H new ATOM 0 HB3 LYS A 39 4.232 -12.334 -6.742 1.00 1.15 H new ATOM 0 HG2 LYS A 39 6.746 -10.721 -6.240 1.00 1.49 H new ATOM 0 HG3 LYS A 39 6.342 -11.340 -7.828 1.00 1.49 H new ATOM 0 HD2 LYS A 39 4.080 -10.150 -7.579 1.00 1.66 H new ATOM 0 HD3 LYS A 39 4.745 -9.367 -6.160 1.00 1.66 H new ATOM 0 HE2 LYS A 39 5.094 -7.859 -7.980 1.00 2.28 H new ATOM 0 HE3 LYS A 39 6.662 -8.544 -7.603 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 6.046 -8.439 -10.021 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 6.568 -9.957 -9.468 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 4.914 -9.668 -9.722 1.00 2.90 H new ATOM 663 N VAL A 40 3.779 -10.571 -3.252 1.00 1.04 N ATOM 664 CA VAL A 40 2.813 -9.574 -2.759 1.00 1.22 C ATOM 665 C VAL A 40 1.348 -9.953 -3.018 1.00 1.42 C ATOM 666 O VAL A 40 0.457 -9.116 -2.902 1.00 1.83 O ATOM 667 CB VAL A 40 3.101 -8.144 -3.300 1.00 1.30 C ATOM 668 CG1 VAL A 40 4.522 -7.723 -2.959 1.00 1.78 C ATOM 669 CG2 VAL A 40 2.858 -8.027 -4.799 1.00 1.40 C ATOM 0 H VAL A 40 4.475 -10.825 -2.551 1.00 1.04 H new ATOM 0 HA VAL A 40 2.957 -9.568 -1.679 1.00 1.22 H new ATOM 0 HB VAL A 40 2.399 -7.470 -2.809 1.00 1.30 H new ATOM 0 HG11 VAL A 40 4.707 -6.720 -3.345 1.00 1.78 H new ATOM 0 HG12 VAL A 40 4.652 -7.725 -1.877 1.00 1.78 H new ATOM 0 HG13 VAL A 40 5.227 -8.421 -3.411 1.00 1.78 H new ATOM 0 HG21 VAL A 40 3.074 -7.009 -5.124 1.00 1.40 H new ATOM 0 HG22 VAL A 40 3.509 -8.723 -5.328 1.00 1.40 H new ATOM 0 HG23 VAL A 40 1.817 -8.265 -5.019 1.00 1.40 H new ATOM 679 N GLY A 41 1.089 -11.218 -3.323 1.00 1.42 N ATOM 680 CA GLY A 41 -0.271 -11.646 -3.580 1.00 1.82 C ATOM 681 C GLY A 41 -0.556 -13.028 -3.044 1.00 1.67 C ATOM 682 O GLY A 41 -1.428 -13.733 -3.547 1.00 2.17 O ATOM 0 H GLY A 41 1.793 -11.952 -3.397 1.00 1.42 H new ATOM 0 HA2 GLY A 41 -0.963 -10.935 -3.128 1.00 1.82 H new ATOM 0 HA3 GLY A 41 -0.456 -11.632 -4.654 1.00 1.82 H new ATOM 686 N ALA A 42 0.194 -13.423 -2.029 1.00 1.12 N ATOM 687 CA ALA A 42 -0.060 -14.680 -1.346 1.00 1.00 C ATOM 688 C ALA A 42 -1.122 -14.465 -0.266 1.00 1.01 C ATOM 689 O ALA A 42 -1.365 -13.326 0.125 1.00 1.09 O ATOM 690 CB ALA A 42 1.233 -15.232 -0.760 1.00 0.80 C ATOM 0 H ALA A 42 0.983 -12.892 -1.660 1.00 1.12 H new ATOM 0 HA ALA A 42 -0.437 -15.416 -2.056 1.00 1.00 H new ATOM 0 HB1 ALA A 42 1.029 -16.174 -0.251 1.00 0.80 H new ATOM 0 HB2 ALA A 42 1.953 -15.401 -1.561 1.00 0.80 H new ATOM 0 HB3 ALA A 42 1.644 -14.517 -0.048 1.00 0.80 H new ATOM 696 N PRO A 43 -1.763 -15.555 0.215 1.00 1.05 N ATOM 697 CA PRO A 43 -2.891 -15.522 1.181 1.00 1.15 C ATOM 698 C PRO A 43 -2.758 -14.561 2.379 1.00 1.08 C ATOM 699 O PRO A 43 -3.740 -14.320 3.081 1.00 1.40 O ATOM 700 CB PRO A 43 -2.923 -16.963 1.683 1.00 1.29 C ATOM 701 CG PRO A 43 -2.524 -17.759 0.498 1.00 1.48 C ATOM 702 CD PRO A 43 -1.460 -16.949 -0.187 1.00 1.11 C ATOM 0 HA PRO A 43 -3.787 -15.149 0.686 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -2.235 -17.112 2.515 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -3.916 -17.242 2.036 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -2.145 -18.738 0.792 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -3.373 -17.932 -0.163 1.00 1.48 H new ATOM 0 HD2 PRO A 43 -0.462 -17.249 0.131 1.00 1.11 H new ATOM 0 HD3 PRO A 43 -1.499 -17.071 -1.269 1.00 1.11 H new ATOM 710 N LEU A 44 -1.579 -14.011 2.624 1.00 0.87 N ATOM 711 CA LEU A 44 -1.403 -13.110 3.754 1.00 0.85 C ATOM 712 C LEU A 44 -1.161 -11.683 3.285 1.00 0.81 C ATOM 713 O LEU A 44 -2.104 -10.936 3.034 1.00 1.24 O ATOM 714 CB LEU A 44 -0.296 -13.557 4.722 1.00 0.95 C ATOM 715 CG LEU A 44 0.874 -14.331 4.143 1.00 1.26 C ATOM 716 CD1 LEU A 44 1.961 -14.437 5.198 1.00 1.75 C ATOM 717 CD2 LEU A 44 0.450 -15.723 3.699 1.00 1.66 C ATOM 0 H LEU A 44 -0.740 -14.169 2.065 1.00 0.87 H new ATOM 0 HA LEU A 44 -2.337 -13.145 4.314 1.00 0.85 H new ATOM 0 HB2 LEU A 44 0.100 -12.668 5.213 1.00 0.95 H new ATOM 0 HB3 LEU A 44 -0.755 -14.172 5.496 1.00 0.95 H new ATOM 0 HG LEU A 44 1.247 -13.801 3.267 1.00 1.26 H new ATOM 0 HD11 LEU A 44 2.808 -14.992 4.794 1.00 1.75 H new ATOM 0 HD12 LEU A 44 2.286 -13.438 5.487 1.00 1.75 H new ATOM 0 HD13 LEU A 44 1.570 -14.958 6.072 1.00 1.75 H new ATOM 0 HD21 LEU A 44 1.310 -16.252 3.289 1.00 1.66 H new ATOM 0 HD22 LEU A 44 0.059 -16.274 4.554 1.00 1.66 H new ATOM 0 HD23 LEU A 44 -0.323 -15.641 2.935 1.00 1.66 H new ATOM 729 N GLY A 45 0.099 -11.304 3.173 1.00 0.61 N ATOM 730 CA GLY A 45 0.434 -9.994 2.670 1.00 0.75 C ATOM 731 C GLY A 45 0.578 -8.961 3.764 1.00 0.61 C ATOM 732 O GLY A 45 1.426 -8.081 3.679 1.00 0.61 O ATOM 0 H GLY A 45 0.900 -11.884 3.423 1.00 0.61 H new ATOM 0 HA2 GLY A 45 1.367 -10.054 2.109 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.338 -9.671 1.972 1.00 0.75 H new ATOM 736 N VAL A 46 -0.254 -9.057 4.789 1.00 0.54 N ATOM 737 CA VAL A 46 -0.219 -8.107 5.891 1.00 0.45 C ATOM 738 C VAL A 46 -0.427 -8.809 7.231 1.00 0.47 C ATOM 739 O VAL A 46 -1.246 -9.725 7.345 1.00 0.60 O ATOM 740 CB VAL A 46 -1.299 -7.008 5.736 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.258 -6.042 6.909 1.00 0.52 C ATOM 742 CG2 VAL A 46 -1.137 -6.252 4.424 1.00 0.49 C ATOM 0 H VAL A 46 -0.963 -9.784 4.881 1.00 0.54 H new ATOM 0 HA VAL A 46 0.767 -7.644 5.868 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.271 -7.502 5.724 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -2.025 -5.279 6.779 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.441 -6.586 7.835 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.278 -5.567 6.955 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.911 -5.488 4.346 1.00 0.49 H new ATOM 0 HG22 VAL A 46 -0.155 -5.779 4.396 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -1.229 -6.947 3.590 1.00 0.49 H new ATOM 752 N ASP A 47 0.312 -8.368 8.239 1.00 0.41 N ATOM 753 CA ASP A 47 0.122 -8.844 9.598 1.00 0.49 C ATOM 754 C ASP A 47 -0.473 -7.717 10.419 1.00 0.52 C ATOM 755 O ASP A 47 0.171 -6.690 10.644 1.00 0.57 O ATOM 756 CB ASP A 47 1.432 -9.314 10.225 1.00 0.58 C ATOM 757 CG ASP A 47 1.214 -9.927 11.594 1.00 0.79 C ATOM 758 OD1 ASP A 47 1.322 -11.156 11.717 1.00 1.11 O ATOM 759 OD2 ASP A 47 0.944 -9.179 12.556 1.00 0.95 O ATOM 0 H ASP A 47 1.054 -7.676 8.138 1.00 0.41 H new ATOM 0 HA ASP A 47 -0.549 -9.703 9.579 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.906 -10.046 9.571 1.00 0.58 H new ATOM 0 HB3 ASP A 47 2.117 -8.471 10.310 1.00 0.58 H new ATOM 764 N LYS A 48 -1.704 -7.907 10.847 1.00 0.63 N ATOM 765 CA LYS A 48 -2.480 -6.838 11.455 1.00 0.79 C ATOM 766 C LYS A 48 -2.103 -6.608 12.917 1.00 0.85 C ATOM 767 O LYS A 48 -2.313 -5.519 13.450 1.00 1.06 O ATOM 768 CB LYS A 48 -3.958 -7.176 11.342 1.00 1.01 C ATOM 769 CG LYS A 48 -4.861 -5.964 11.249 1.00 1.38 C ATOM 770 CD LYS A 48 -6.232 -6.366 10.747 1.00 1.34 C ATOM 771 CE LYS A 48 -6.119 -7.132 9.438 1.00 2.06 C ATOM 772 NZ LYS A 48 -7.416 -7.743 9.047 1.00 2.81 N ATOM 0 H LYS A 48 -2.195 -8.799 10.785 1.00 0.63 H new ATOM 0 HA LYS A 48 -2.260 -5.913 10.922 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.111 -7.799 10.461 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.252 -7.770 12.208 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -4.949 -5.492 12.227 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -4.422 -5.226 10.577 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -6.732 -6.983 11.494 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -6.847 -5.478 10.603 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -5.781 -6.459 8.650 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -5.364 -7.912 9.536 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -7.496 -7.754 8.010 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -7.464 -8.717 9.409 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -8.197 -7.186 9.448 1.00 2.81 H new ATOM 786 N LYS A 49 -1.541 -7.622 13.562 1.00 0.80 N ATOM 787 CA LYS A 49 -1.248 -7.537 14.988 1.00 0.97 C ATOM 788 C LYS A 49 0.152 -6.981 15.234 1.00 1.14 C ATOM 789 O LYS A 49 0.373 -6.231 16.184 1.00 1.32 O ATOM 790 CB LYS A 49 -1.418 -8.909 15.657 1.00 1.08 C ATOM 791 CG LYS A 49 -0.562 -10.011 15.051 1.00 1.35 C ATOM 792 CD LYS A 49 -0.924 -11.377 15.613 1.00 1.66 C ATOM 793 CE LYS A 49 -0.102 -12.489 14.973 1.00 2.40 C ATOM 794 NZ LYS A 49 -0.255 -12.526 13.492 1.00 3.17 N ATOM 0 H LYS A 49 -1.280 -8.506 13.126 1.00 0.80 H new ATOM 0 HA LYS A 49 -1.961 -6.845 15.437 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -1.175 -8.817 16.716 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -2.466 -9.203 15.595 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -0.690 -10.017 13.969 1.00 1.35 H new ATOM 0 HG3 LYS A 49 0.490 -9.804 15.247 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -0.763 -11.381 16.691 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -1.984 -11.568 15.448 1.00 1.66 H new ATOM 0 HE2 LYS A 49 0.950 -12.350 15.224 1.00 2.40 H new ATOM 0 HE3 LYS A 49 -0.406 -13.449 15.391 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 0.010 -13.468 13.139 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -1.244 -12.328 13.240 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 0.362 -11.808 13.061 1.00 3.17 H new ATOM 808 N GLY A 50 1.090 -7.345 14.373 1.00 1.22 N ATOM 809 CA GLY A 50 2.445 -6.856 14.500 1.00 1.53 C ATOM 810 C GLY A 50 2.689 -5.620 13.667 1.00 1.14 C ATOM 811 O GLY A 50 3.632 -4.866 13.918 1.00 1.29 O ATOM 0 H GLY A 50 0.935 -7.974 13.585 1.00 1.22 H new ATOM 0 HA2 GLY A 50 2.652 -6.633 15.547 1.00 1.53 H new ATOM 0 HA3 GLY A 50 3.141 -7.638 14.198 1.00 1.53 H new ATOM 815 N GLY A 51 1.841 -5.413 12.671 1.00 0.77 N ATOM 816 CA GLY A 51 1.973 -4.253 11.816 1.00 0.65 C ATOM 817 C GLY A 51 3.048 -4.445 10.771 1.00 0.56 C ATOM 818 O GLY A 51 3.995 -3.663 10.690 1.00 0.60 O ATOM 0 H GLY A 51 1.062 -6.030 12.440 1.00 0.77 H new ATOM 0 HA2 GLY A 51 1.021 -4.053 11.325 1.00 0.65 H new ATOM 0 HA3 GLY A 51 2.208 -3.379 12.423 1.00 0.65 H new ATOM 822 N ARG A 52 2.915 -5.495 9.977 1.00 0.51 N ATOM 823 CA ARG A 52 3.884 -5.786 8.928 1.00 0.53 C ATOM 824 C ARG A 52 3.191 -6.123 7.616 1.00 0.50 C ATOM 825 O ARG A 52 2.012 -6.456 7.597 1.00 0.60 O ATOM 826 CB ARG A 52 4.794 -6.957 9.318 1.00 0.68 C ATOM 827 CG ARG A 52 6.119 -6.555 9.949 1.00 1.04 C ATOM 828 CD ARG A 52 5.942 -6.029 11.364 1.00 1.42 C ATOM 829 NE ARG A 52 7.222 -5.688 11.977 1.00 2.14 N ATOM 830 CZ ARG A 52 7.400 -4.675 12.822 1.00 2.80 C ATOM 831 NH1 ARG A 52 6.380 -3.900 13.168 1.00 2.98 N ATOM 832 NH2 ARG A 52 8.605 -4.444 13.326 1.00 3.72 N ATOM 0 H ARG A 52 2.145 -6.162 10.037 1.00 0.51 H new ATOM 0 HA ARG A 52 4.487 -4.887 8.800 1.00 0.53 H new ATOM 0 HB2 ARG A 52 4.256 -7.600 10.015 1.00 0.68 H new ATOM 0 HB3 ARG A 52 4.998 -7.552 8.428 1.00 0.68 H new ATOM 0 HG2 ARG A 52 6.789 -7.415 9.963 1.00 1.04 H new ATOM 0 HG3 ARG A 52 6.595 -5.790 9.335 1.00 1.04 H new ATOM 0 HD2 ARG A 52 5.300 -5.148 11.347 1.00 1.42 H new ATOM 0 HD3 ARG A 52 5.436 -6.780 11.971 1.00 1.42 H new ATOM 0 HE ARG A 52 8.032 -6.263 11.743 1.00 2.14 H new ATOM 0 HH11 ARG A 52 5.451 -4.079 12.786 1.00 2.98 H new ATOM 0 HH12 ARG A 52 6.525 -3.126 13.816 1.00 2.98 H new ATOM 0 HH21 ARG A 52 9.390 -5.041 13.066 1.00 3.72 H new ATOM 0 HH22 ARG A 52 8.747 -3.669 13.974 1.00 3.72 H new ATOM 846 N TRP A 53 3.932 -6.020 6.525 1.00 0.52 N ATOM 847 CA TRP A 53 3.463 -6.474 5.224 1.00 0.53 C ATOM 848 C TRP A 53 4.364 -7.596 4.730 1.00 0.57 C ATOM 849 O TRP A 53 5.518 -7.356 4.388 1.00 0.73 O ATOM 850 CB TRP A 53 3.474 -5.339 4.190 1.00 0.65 C ATOM 851 CG TRP A 53 2.436 -4.274 4.401 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.923 -3.843 5.586 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.799 -3.491 3.382 1.00 0.73 C ATOM 854 NE1 TRP A 53 1.000 -2.850 5.370 1.00 0.68 N ATOM 855 CE2 TRP A 53 0.904 -2.617 4.025 1.00 0.82 C ATOM 856 CE3 TRP A 53 1.895 -3.450 1.988 1.00 0.95 C ATOM 857 CZ2 TRP A 53 0.114 -1.707 3.325 1.00 1.11 C ATOM 858 CZ3 TRP A 53 1.111 -2.546 1.293 1.00 1.20 C ATOM 859 CH2 TRP A 53 0.229 -1.689 1.963 1.00 1.28 C ATOM 0 H TRP A 53 4.871 -5.622 6.515 1.00 0.52 H new ATOM 0 HA TRP A 53 2.437 -6.823 5.340 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.459 -4.871 4.197 1.00 0.65 H new ATOM 0 HB3 TRP A 53 3.333 -5.770 3.199 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.202 -4.227 6.556 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.471 -2.364 6.095 1.00 0.68 H new ATOM 0 HE3 TRP A 53 2.568 -4.111 1.463 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.563 -1.041 3.839 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 1.180 -2.501 0.216 1.00 1.20 H new ATOM 0 HH2 TRP A 53 -0.373 -0.999 1.391 1.00 1.28 H new ATOM 870 N TYR A 54 3.854 -8.816 4.720 1.00 0.49 N ATOM 871 CA TYR A 54 4.625 -9.951 4.238 1.00 0.58 C ATOM 872 C TYR A 54 3.715 -11.129 3.921 1.00 0.49 C ATOM 873 O TYR A 54 2.678 -11.326 4.564 1.00 0.52 O ATOM 874 CB TYR A 54 5.697 -10.361 5.258 1.00 0.75 C ATOM 875 CG TYR A 54 5.165 -11.044 6.503 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.386 -12.395 6.739 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.421 -10.330 7.436 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.878 -13.013 7.867 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.915 -10.943 8.566 1.00 0.95 C ATOM 880 CZ TYR A 54 4.234 -12.309 8.799 1.00 1.20 C ATOM 881 OH TYR A 54 3.632 -12.895 9.896 1.00 1.66 O ATOM 0 H TYR A 54 2.913 -9.046 5.039 1.00 0.49 H new ATOM 0 HA TYR A 54 5.127 -9.647 3.319 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.406 -11.029 4.769 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.252 -9.472 5.558 1.00 0.75 H new ATOM 0 HD1 TYR A 54 5.963 -12.971 6.031 1.00 0.73 H new ATOM 0 HD2 TYR A 54 4.236 -9.278 7.274 1.00 0.61 H new ATOM 0 HE1 TYR A 54 5.004 -14.078 7.995 1.00 1.06 H new ATOM 0 HE2 TYR A 54 3.291 -10.397 9.257 1.00 0.95 H new ATOM 0 HH TYR A 54 3.219 -12.202 10.452 1.00 1.66 H new ATOM 891 N GLU A 55 4.090 -11.890 2.909 1.00 0.52 N ATOM 892 CA GLU A 55 3.370 -13.097 2.543 1.00 0.56 C ATOM 893 C GLU A 55 4.263 -14.310 2.781 1.00 0.62 C ATOM 894 O GLU A 55 5.436 -14.168 3.134 1.00 0.81 O ATOM 895 CB GLU A 55 2.935 -13.075 1.066 1.00 0.73 C ATOM 896 CG GLU A 55 3.012 -11.716 0.393 1.00 0.81 C ATOM 897 CD GLU A 55 4.424 -11.372 -0.035 1.00 1.51 C ATOM 898 OE1 GLU A 55 4.824 -11.771 -1.144 1.00 1.94 O ATOM 899 OE2 GLU A 55 5.126 -10.679 0.731 1.00 2.12 O ATOM 0 H GLU A 55 4.898 -11.691 2.320 1.00 0.52 H new ATOM 0 HA GLU A 55 2.474 -13.153 3.161 1.00 0.56 H new ATOM 0 HB2 GLU A 55 3.558 -13.775 0.509 1.00 0.73 H new ATOM 0 HB3 GLU A 55 1.910 -13.439 1.000 1.00 0.73 H new ATOM 0 HG2 GLU A 55 2.357 -11.706 -0.478 1.00 0.81 H new ATOM 0 HG3 GLU A 55 2.645 -10.951 1.078 1.00 0.81 H new ATOM 906 N ILE A 56 3.713 -15.501 2.586 1.00 0.63 N ATOM 907 CA ILE A 56 4.507 -16.717 2.706 1.00 0.68 C ATOM 908 C ILE A 56 5.381 -16.880 1.474 1.00 0.70 C ATOM 909 O ILE A 56 4.885 -17.087 0.369 1.00 0.80 O ATOM 910 CB ILE A 56 3.632 -17.983 2.866 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.784 -17.915 4.139 1.00 0.90 C ATOM 912 CG2 ILE A 56 4.492 -19.239 2.862 1.00 0.92 C ATOM 913 CD1 ILE A 56 3.544 -17.497 5.377 1.00 0.90 C ATOM 0 H ILE A 56 2.733 -15.651 2.347 1.00 0.63 H new ATOM 0 HA ILE A 56 5.116 -16.613 3.604 1.00 0.68 H new ATOM 0 HB ILE A 56 2.954 -18.027 2.013 1.00 0.83 H new ATOM 0 HG12 ILE A 56 1.964 -17.215 3.977 1.00 0.90 H new ATOM 0 HG13 ILE A 56 2.337 -18.893 4.315 1.00 0.90 H new ATOM 0 HG21 ILE A 56 3.855 -20.116 2.976 1.00 0.92 H new ATOM 0 HG22 ILE A 56 5.035 -19.305 1.919 1.00 0.92 H new ATOM 0 HG23 ILE A 56 5.202 -19.196 3.688 1.00 0.92 H new ATOM 0 HD11 ILE A 56 2.866 -17.476 6.230 1.00 0.90 H new ATOM 0 HD12 ILE A 56 4.347 -18.209 5.569 1.00 0.90 H new ATOM 0 HD13 ILE A 56 3.968 -16.504 5.226 1.00 0.90 H new ATOM 925 N ASP A 57 6.682 -16.742 1.670 1.00 0.65 N ATOM 926 CA ASP A 57 7.635 -16.889 0.584 1.00 0.72 C ATOM 927 C ASP A 57 8.188 -18.312 0.566 1.00 0.76 C ATOM 928 O ASP A 57 8.197 -18.998 1.591 1.00 0.96 O ATOM 929 CB ASP A 57 8.761 -15.868 0.734 1.00 0.84 C ATOM 930 CG ASP A 57 9.578 -15.688 -0.532 1.00 1.35 C ATOM 931 OD1 ASP A 57 10.512 -14.863 -0.517 1.00 1.71 O ATOM 932 OD2 ASP A 57 9.293 -16.364 -1.538 1.00 1.97 O ATOM 0 H ASP A 57 7.103 -16.528 2.574 1.00 0.65 H new ATOM 0 HA ASP A 57 7.131 -16.704 -0.365 1.00 0.72 H new ATOM 0 HB2 ASP A 57 8.335 -14.907 1.023 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.421 -16.181 1.543 1.00 0.84 H new ATOM 937 N GLU A 58 8.679 -18.730 -0.590 1.00 0.87 N ATOM 938 CA GLU A 58 9.002 -20.130 -0.843 1.00 1.01 C ATOM 939 C GLU A 58 10.259 -20.606 -0.110 1.00 1.04 C ATOM 940 O GLU A 58 10.371 -21.788 0.208 1.00 1.17 O ATOM 941 CB GLU A 58 9.154 -20.372 -2.346 1.00 1.35 C ATOM 942 CG GLU A 58 10.141 -19.434 -3.022 1.00 1.54 C ATOM 943 CD GLU A 58 10.322 -19.743 -4.491 1.00 2.04 C ATOM 944 OE1 GLU A 58 9.631 -19.124 -5.328 1.00 2.43 O ATOM 945 OE2 GLU A 58 11.152 -20.616 -4.818 1.00 2.21 O ATOM 0 H GLU A 58 8.865 -18.112 -1.379 1.00 0.87 H new ATOM 0 HA GLU A 58 8.170 -20.714 -0.450 1.00 1.01 H new ATOM 0 HB2 GLU A 58 9.475 -21.401 -2.508 1.00 1.35 H new ATOM 0 HB3 GLU A 58 8.180 -20.264 -2.822 1.00 1.35 H new ATOM 0 HG2 GLU A 58 9.795 -18.406 -2.910 1.00 1.54 H new ATOM 0 HG3 GLU A 58 11.105 -19.502 -2.518 1.00 1.54 H new ATOM 952 N GLN A 59 11.207 -19.713 0.172 1.00 1.10 N ATOM 953 CA GLN A 59 12.454 -20.148 0.803 1.00 1.36 C ATOM 954 C GLN A 59 12.318 -20.206 2.326 1.00 1.39 C ATOM 955 O GLN A 59 13.300 -20.390 3.040 1.00 1.70 O ATOM 956 CB GLN A 59 13.646 -19.261 0.398 1.00 1.60 C ATOM 957 CG GLN A 59 13.815 -17.979 1.206 1.00 1.69 C ATOM 958 CD GLN A 59 12.850 -16.891 0.809 1.00 1.62 C ATOM 959 OE1 GLN A 59 13.124 -16.105 -0.091 1.00 2.39 O ATOM 960 NE2 GLN A 59 11.727 -16.820 1.495 1.00 1.40 N ATOM 0 H GLN A 59 11.142 -18.713 -0.019 1.00 1.10 H new ATOM 0 HA GLN A 59 12.655 -21.156 0.440 1.00 1.36 H new ATOM 0 HB2 GLN A 59 14.560 -19.848 0.486 1.00 1.60 H new ATOM 0 HB3 GLN A 59 13.538 -18.995 -0.654 1.00 1.60 H new ATOM 0 HG2 GLN A 59 13.682 -18.205 2.264 1.00 1.69 H new ATOM 0 HG3 GLN A 59 14.834 -17.613 1.084 1.00 1.69 H new ATOM 0 HE21 GLN A 59 11.539 -17.495 2.236 1.00 1.40 H new ATOM 0 HE22 GLN A 59 11.046 -16.090 1.285 1.00 1.40 H new ATOM 969 N GLY A 60 11.096 -20.063 2.823 1.00 1.19 N ATOM 970 CA GLY A 60 10.874 -20.181 4.250 1.00 1.39 C ATOM 971 C GLY A 60 10.149 -18.999 4.847 1.00 1.45 C ATOM 972 O GLY A 60 10.575 -18.461 5.869 1.00 2.29 O ATOM 0 H GLY A 60 10.262 -19.869 2.269 1.00 1.19 H new ATOM 0 HA2 GLY A 60 10.300 -21.086 4.447 1.00 1.39 H new ATOM 0 HA3 GLY A 60 11.835 -20.298 4.751 1.00 1.39 H new ATOM 976 N GLU A 61 9.058 -18.591 4.199 1.00 1.11 N ATOM 977 CA GLU A 61 8.166 -17.560 4.733 1.00 1.15 C ATOM 978 C GLU A 61 8.936 -16.280 5.072 1.00 1.26 C ATOM 979 O GLU A 61 8.621 -15.578 6.031 1.00 1.72 O ATOM 980 CB GLU A 61 7.438 -18.116 5.964 1.00 1.33 C ATOM 981 CG GLU A 61 6.886 -19.518 5.732 1.00 1.38 C ATOM 982 CD GLU A 61 6.109 -20.074 6.907 1.00 1.69 C ATOM 983 OE1 GLU A 61 6.685 -20.217 8.005 1.00 1.77 O ATOM 984 OE2 GLU A 61 4.920 -20.413 6.725 1.00 2.31 O ATOM 0 H GLU A 61 8.768 -18.963 3.294 1.00 1.11 H new ATOM 0 HA GLU A 61 7.431 -17.294 3.973 1.00 1.15 H new ATOM 0 HB2 GLU A 61 8.125 -18.135 6.810 1.00 1.33 H new ATOM 0 HB3 GLU A 61 6.620 -17.447 6.232 1.00 1.33 H new ATOM 0 HG2 GLU A 61 6.238 -19.502 4.855 1.00 1.38 H new ATOM 0 HG3 GLU A 61 7.713 -20.191 5.505 1.00 1.38 H new ATOM 991 N GLU A 62 9.921 -15.968 4.243 1.00 1.06 N ATOM 992 CA GLU A 62 10.814 -14.853 4.497 1.00 1.20 C ATOM 993 C GLU A 62 10.734 -13.837 3.363 1.00 1.00 C ATOM 994 O GLU A 62 11.496 -13.898 2.399 1.00 1.08 O ATOM 995 CB GLU A 62 12.240 -15.383 4.662 1.00 1.54 C ATOM 996 CG GLU A 62 13.285 -14.317 4.955 1.00 1.98 C ATOM 997 CD GLU A 62 13.015 -13.544 6.227 1.00 2.16 C ATOM 998 OE1 GLU A 62 13.156 -12.304 6.220 1.00 2.61 O ATOM 999 OE2 GLU A 62 12.632 -14.178 7.237 1.00 2.56 O ATOM 0 H GLU A 62 10.121 -16.478 3.382 1.00 1.06 H new ATOM 0 HA GLU A 62 10.515 -14.346 5.414 1.00 1.20 H new ATOM 0 HB2 GLU A 62 12.250 -16.114 5.470 1.00 1.54 H new ATOM 0 HB3 GLU A 62 12.524 -15.911 3.752 1.00 1.54 H new ATOM 0 HG2 GLU A 62 14.265 -14.789 5.027 1.00 1.98 H new ATOM 0 HG3 GLU A 62 13.327 -13.621 4.118 1.00 1.98 H new ATOM 1006 N HIS A 63 9.768 -12.942 3.461 1.00 0.90 N ATOM 1007 CA HIS A 63 9.594 -11.891 2.479 1.00 0.85 C ATOM 1008 C HIS A 63 9.962 -10.545 3.079 1.00 0.92 C ATOM 1009 O HIS A 63 10.084 -10.419 4.296 1.00 1.22 O ATOM 1010 CB HIS A 63 8.149 -11.865 2.003 1.00 0.96 C ATOM 1011 CG HIS A 63 8.020 -11.744 0.524 1.00 1.85 C ATOM 1012 ND1 HIS A 63 7.834 -10.551 -0.139 1.00 2.82 N ATOM 1013 CD2 HIS A 63 8.050 -12.698 -0.423 1.00 2.22 C ATOM 1014 CE1 HIS A 63 7.756 -10.784 -1.435 1.00 3.72 C ATOM 1015 NE2 HIS A 63 7.884 -12.084 -1.637 1.00 3.37 N ATOM 0 H HIS A 63 9.086 -12.924 4.219 1.00 0.90 H new ATOM 0 HA HIS A 63 10.249 -12.089 1.631 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.649 -12.776 2.331 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.633 -11.030 2.476 1.00 0.96 H new ATOM 0 HD2 HIS A 63 8.181 -13.757 -0.257 1.00 2.22 H new ATOM 0 HE1 HIS A 63 7.612 -10.038 -2.202 1.00 3.72 H new ATOM 0 HE2 HIS A 63 7.863 -12.551 -2.543 1.00 3.37 H new ATOM 1024 N THR A 64 10.164 -9.554 2.222 1.00 0.97 N ATOM 1025 CA THR A 64 10.429 -8.192 2.662 1.00 1.01 C ATOM 1026 C THR A 64 9.291 -7.679 3.551 1.00 1.50 C ATOM 1027 O THR A 64 8.171 -7.489 3.084 1.00 2.27 O ATOM 1028 CB THR A 64 10.606 -7.260 1.447 1.00 1.03 C ATOM 1029 OG1 THR A 64 9.561 -7.502 0.492 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.957 -7.471 0.782 1.00 1.44 C ATOM 0 H THR A 64 10.149 -9.670 1.209 1.00 0.97 H new ATOM 0 HA THR A 64 11.351 -8.196 3.243 1.00 1.01 H new ATOM 0 HB THR A 64 10.554 -6.231 1.802 1.00 1.03 H new ATOM 0 HG1 THR A 64 9.152 -6.650 0.231 1.00 1.77 H new ATOM 0 HG21 THR A 64 12.051 -6.799 -0.071 1.00 1.44 H new ATOM 0 HG22 THR A 64 12.752 -7.262 1.498 1.00 1.44 H new ATOM 0 HG23 THR A 64 12.038 -8.503 0.442 1.00 1.44 H new ATOM 1038 N PHE A 65 9.583 -7.474 4.832 1.00 1.66 N ATOM 1039 CA PHE A 65 8.560 -7.097 5.802 1.00 2.32 C ATOM 1040 C PHE A 65 8.224 -5.613 5.722 1.00 1.96 C ATOM 1041 O PHE A 65 8.990 -4.775 6.207 1.00 2.43 O ATOM 1042 CB PHE A 65 9.018 -7.424 7.227 1.00 3.26 C ATOM 1043 CG PHE A 65 9.309 -8.877 7.464 1.00 4.27 C ATOM 1044 CD1 PHE A 65 10.613 -9.340 7.494 1.00 4.99 C ATOM 1045 CD2 PHE A 65 8.277 -9.781 7.645 1.00 4.69 C ATOM 1046 CE1 PHE A 65 10.884 -10.677 7.704 1.00 6.10 C ATOM 1047 CE2 PHE A 65 8.542 -11.120 7.857 1.00 5.77 C ATOM 1048 CZ PHE A 65 9.848 -11.564 7.915 1.00 6.48 C ATOM 0 H PHE A 65 10.521 -7.563 5.223 1.00 1.66 H new ATOM 0 HA PHE A 65 7.667 -7.672 5.558 1.00 2.32 H new ATOM 0 HB2 PHE A 65 9.914 -6.845 7.450 1.00 3.26 H new ATOM 0 HB3 PHE A 65 8.247 -7.101 7.927 1.00 3.26 H new ATOM 0 HD1 PHE A 65 11.429 -8.647 7.351 1.00 4.99 H new ATOM 0 HD2 PHE A 65 7.254 -9.436 7.620 1.00 4.69 H new ATOM 0 HE1 PHE A 65 11.905 -11.028 7.703 1.00 6.10 H new ATOM 0 HE2 PHE A 65 7.728 -11.819 7.977 1.00 5.77 H new ATOM 0 HZ PHE A 65 10.058 -12.602 8.125 1.00 6.48 H new ATOM 1058 N GLY A 66 7.096 -5.292 5.096 1.00 1.23 N ATOM 1059 CA GLY A 66 6.597 -3.929 5.112 1.00 0.93 C ATOM 1060 C GLY A 66 6.429 -3.443 6.534 1.00 0.80 C ATOM 1061 O GLY A 66 5.936 -4.183 7.385 1.00 0.96 O ATOM 0 H GLY A 66 6.518 -5.953 4.577 1.00 1.23 H new ATOM 0 HA2 GLY A 66 7.287 -3.276 4.578 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.642 -3.879 4.589 1.00 0.93 H new ATOM 1065 N LEU A 67 6.824 -2.212 6.806 1.00 0.64 N ATOM 1066 CA LEU A 67 6.937 -1.763 8.185 1.00 0.65 C ATOM 1067 C LEU A 67 5.844 -0.769 8.546 1.00 0.51 C ATOM 1068 O LEU A 67 5.944 0.419 8.254 1.00 0.54 O ATOM 1069 CB LEU A 67 8.330 -1.168 8.462 1.00 0.76 C ATOM 1070 CG LEU A 67 8.827 -0.112 7.463 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.835 0.806 8.125 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.465 -0.767 6.244 1.00 1.14 C ATOM 0 H LEU A 67 7.069 -1.514 6.104 1.00 0.64 H new ATOM 0 HA LEU A 67 6.807 -2.639 8.821 1.00 0.65 H new ATOM 0 HB2 LEU A 67 8.320 -0.721 9.456 1.00 0.76 H new ATOM 0 HB3 LEU A 67 9.052 -1.984 8.486 1.00 0.76 H new ATOM 0 HG LEU A 67 7.964 0.469 7.137 1.00 0.64 H new ATOM 0 HD11 LEU A 67 10.178 1.549 7.405 1.00 1.17 H new ATOM 0 HD12 LEU A 67 9.368 1.310 8.971 1.00 1.17 H new ATOM 0 HD13 LEU A 67 10.685 0.221 8.475 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.808 0.004 5.554 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.313 -1.374 6.560 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.731 -1.400 5.745 1.00 1.14 H new ATOM 1084 N ILE A 68 4.791 -1.259 9.177 1.00 0.43 N ATOM 1085 CA ILE A 68 3.717 -0.390 9.618 1.00 0.38 C ATOM 1086 C ILE A 68 4.068 0.221 10.968 1.00 0.45 C ATOM 1087 O ILE A 68 4.535 -0.472 11.873 1.00 0.61 O ATOM 1088 CB ILE A 68 2.370 -1.132 9.759 1.00 0.38 C ATOM 1089 CG1 ILE A 68 2.024 -1.917 8.493 1.00 0.38 C ATOM 1090 CG2 ILE A 68 1.264 -0.138 10.071 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.739 -2.716 8.613 1.00 0.44 C ATOM 0 H ILE A 68 4.658 -2.247 9.394 1.00 0.43 H new ATOM 0 HA ILE A 68 3.605 0.379 8.854 1.00 0.38 H new ATOM 0 HB ILE A 68 2.464 -1.845 10.578 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.935 -1.223 7.657 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.845 -2.595 8.259 1.00 0.38 H new ATOM 0 HG21 ILE A 68 0.316 -0.667 10.169 1.00 0.46 H new ATOM 0 HG22 ILE A 68 1.490 0.377 11.005 1.00 0.46 H new ATOM 0 HG23 ILE A 68 1.191 0.590 9.263 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.553 -3.249 7.680 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.832 -3.434 9.428 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.092 -2.040 8.817 1.00 0.44 H new ATOM 1103 N ARG A 69 3.863 1.521 11.094 1.00 0.43 N ATOM 1104 CA ARG A 69 4.036 2.188 12.370 1.00 0.55 C ATOM 1105 C ARG A 69 2.697 2.312 13.072 1.00 0.51 C ATOM 1106 O ARG A 69 2.617 2.228 14.298 1.00 0.67 O ATOM 1107 CB ARG A 69 4.666 3.577 12.201 1.00 0.70 C ATOM 1108 CG ARG A 69 6.185 3.563 12.112 1.00 1.19 C ATOM 1109 CD ARG A 69 6.678 3.001 10.792 1.00 0.74 C ATOM 1110 NE ARG A 69 8.114 2.745 10.822 1.00 1.08 N ATOM 1111 CZ ARG A 69 9.026 3.559 10.295 1.00 1.35 C ATOM 1112 NH1 ARG A 69 8.649 4.689 9.711 1.00 2.00 N ATOM 1113 NH2 ARG A 69 10.316 3.255 10.375 1.00 1.83 N ATOM 0 H ARG A 69 3.577 2.133 10.330 1.00 0.43 H new ATOM 0 HA ARG A 69 4.713 1.584 12.974 1.00 0.55 H new ATOM 0 HB2 ARG A 69 4.264 4.039 11.299 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.368 4.204 13.041 1.00 0.70 H new ATOM 0 HG2 ARG A 69 6.564 4.577 12.237 1.00 1.19 H new ATOM 0 HG3 ARG A 69 6.590 2.969 12.931 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.147 2.076 10.569 1.00 0.74 H new ATOM 0 HD3 ARG A 69 6.449 3.702 9.989 1.00 0.74 H new ATOM 0 HE ARG A 69 8.439 1.890 11.274 1.00 1.08 H new ATOM 0 HH11 ARG A 69 7.660 4.934 9.666 1.00 2.00 H new ATOM 0 HH12 ARG A 69 9.348 5.312 9.307 1.00 2.00 H new ATOM 0 HH21 ARG A 69 10.610 2.396 10.841 1.00 1.83 H new ATOM 0 HH22 ARG A 69 11.013 3.880 9.971 1.00 1.83 H new ATOM 1127 N LYS A 70 1.638 2.480 12.292 1.00 0.39 N ATOM 1128 CA LYS A 70 0.320 2.707 12.854 1.00 0.41 C ATOM 1129 C LYS A 70 -0.786 2.274 11.895 1.00 0.35 C ATOM 1130 O LYS A 70 -0.776 2.629 10.715 1.00 0.40 O ATOM 1131 CB LYS A 70 0.176 4.185 13.215 1.00 0.53 C ATOM 1132 CG LYS A 70 -1.202 4.566 13.712 1.00 0.62 C ATOM 1133 CD LYS A 70 -1.145 5.805 14.596 1.00 0.99 C ATOM 1134 CE LYS A 70 -0.732 7.044 13.813 1.00 1.08 C ATOM 1135 NZ LYS A 70 -1.817 7.515 12.915 1.00 1.53 N ATOM 0 H LYS A 70 1.668 2.463 11.273 1.00 0.39 H new ATOM 0 HA LYS A 70 0.216 2.099 13.753 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.909 4.434 13.982 1.00 0.53 H new ATOM 0 HB3 LYS A 70 0.414 4.787 12.338 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -1.859 4.752 12.863 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -1.632 3.736 14.272 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -2.122 5.972 15.050 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -0.439 5.638 15.410 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -0.463 7.840 14.507 1.00 1.08 H new ATOM 0 HE3 LYS A 70 0.157 6.822 13.223 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -1.456 8.273 12.302 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -2.149 6.724 12.328 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -2.607 7.878 13.486 1.00 1.53 H new ATOM 1149 N VAL A 71 -1.722 1.489 12.415 1.00 0.35 N ATOM 1150 CA VAL A 71 -2.894 1.060 11.668 1.00 0.36 C ATOM 1151 C VAL A 71 -4.139 1.666 12.315 1.00 0.37 C ATOM 1152 O VAL A 71 -4.619 1.176 13.341 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.031 -0.485 11.642 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.282 -0.897 10.885 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -1.797 -1.147 11.029 1.00 0.77 C ATOM 0 H VAL A 71 -1.688 1.132 13.370 1.00 0.35 H new ATOM 0 HA VAL A 71 -2.785 1.401 10.638 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.115 -0.826 12.674 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.361 -1.984 10.877 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.159 -0.473 11.374 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.225 -0.530 9.860 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.928 -2.229 11.027 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.666 -0.795 10.006 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -0.916 -0.889 11.617 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.651 2.738 11.731 1.00 0.33 N ATOM 1166 CA ASP A 72 -5.750 3.485 12.340 1.00 0.36 C ATOM 1167 C ASP A 72 -7.082 3.085 11.740 1.00 0.35 C ATOM 1168 O ASP A 72 -7.780 3.939 11.187 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.569 4.988 12.137 1.00 0.41 C ATOM 1170 CG ASP A 72 -4.269 5.524 12.677 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -4.209 5.850 13.884 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -3.302 5.649 11.895 1.00 1.42 O ATOM 0 H ASP A 72 -4.327 3.113 10.839 1.00 0.33 H new ATOM 0 HA ASP A 72 -5.740 3.250 13.404 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -5.628 5.211 11.072 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.395 5.512 12.618 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.421 1.792 11.856 1.00 0.38 N ATOM 1178 CA GLU A 73 -8.714 1.241 11.404 1.00 0.39 C ATOM 1179 C GLU A 73 -9.107 1.780 10.009 1.00 0.38 C ATOM 1180 O GLU A 73 -8.246 2.268 9.273 1.00 0.56 O ATOM 1181 CB GLU A 73 -9.800 1.536 12.461 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.214 2.996 12.562 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.398 3.199 13.477 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.187 3.394 14.695 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.543 3.163 12.987 1.00 0.92 O ATOM 0 H GLU A 73 -6.804 1.092 12.268 1.00 0.38 H new ATOM 0 HA GLU A 73 -8.617 0.160 11.299 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -10.682 0.938 12.231 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -9.437 1.208 13.435 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.372 3.585 12.926 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.459 3.371 11.568 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.377 1.631 9.565 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.867 2.386 8.412 1.00 0.32 C ATOM 1194 C PRO A 74 -10.823 3.891 8.672 1.00 0.31 C ATOM 1195 O PRO A 74 -11.799 4.479 9.138 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.313 1.909 8.236 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.365 0.589 8.919 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.392 0.677 10.059 1.00 0.38 C ATOM 0 HA PRO A 74 -10.257 2.220 7.524 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.018 2.612 8.680 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.574 1.819 7.182 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.371 0.375 9.280 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.094 -0.216 8.235 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -11.871 1.035 10.970 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -10.953 -0.294 10.290 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.664 4.490 8.417 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.460 5.930 8.582 1.00 0.31 C ATOM 1208 C ASP A 75 -8.092 6.340 8.055 1.00 0.30 C ATOM 1209 O ASP A 75 -7.994 7.077 7.074 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.575 6.356 10.047 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.248 7.824 10.240 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.162 8.132 10.769 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.065 8.684 9.852 1.00 0.50 O ATOM 0 H ASP A 75 -8.836 3.992 8.089 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.243 6.429 8.011 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.586 6.160 10.403 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -8.901 5.752 10.654 1.00 0.34 H new ATOM 1218 N THR A 76 -7.036 5.866 8.705 1.00 0.28 N ATOM 1219 CA THR A 76 -5.679 6.209 8.301 1.00 0.29 C ATOM 1220 C THR A 76 -4.712 5.051 8.523 1.00 0.29 C ATOM 1221 O THR A 76 -4.997 4.127 9.281 1.00 0.35 O ATOM 1222 CB THR A 76 -5.163 7.458 9.051 1.00 0.32 C ATOM 1223 OG1 THR A 76 -5.663 7.478 10.394 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.575 8.730 8.338 1.00 0.35 C ATOM 0 H THR A 76 -7.093 5.245 9.512 1.00 0.28 H new ATOM 0 HA THR A 76 -5.722 6.428 7.234 1.00 0.29 H new ATOM 0 HB THR A 76 -4.074 7.406 9.072 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.524 7.946 10.416 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.199 9.593 8.887 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.161 8.733 7.330 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.662 8.781 8.283 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.588 5.081 7.818 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.539 4.084 8.004 1.00 0.31 C ATOM 1234 C LEU A 77 -1.176 4.722 7.796 1.00 0.33 C ATOM 1235 O LEU A 77 -0.953 5.414 6.805 1.00 0.41 O ATOM 1236 CB LEU A 77 -2.679 2.907 7.021 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.027 2.187 7.003 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -4.992 2.874 6.047 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -3.836 0.730 6.614 1.00 0.69 C ATOM 0 H LEU A 77 -3.378 5.786 7.111 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.637 3.702 9.020 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.477 3.277 6.016 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -1.905 2.175 7.253 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.456 2.228 8.004 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -5.945 2.345 6.050 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.148 3.905 6.366 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.575 2.865 5.040 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -4.803 0.226 6.604 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.388 0.674 5.622 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.181 0.243 7.336 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.278 4.495 8.731 1.00 0.32 N ATOM 1252 CA VAL A 78 1.090 4.974 8.615 1.00 0.36 C ATOM 1253 C VAL A 78 2.040 3.793 8.417 1.00 0.34 C ATOM 1254 O VAL A 78 2.397 3.102 9.375 1.00 0.36 O ATOM 1255 CB VAL A 78 1.513 5.775 9.864 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.923 6.313 9.706 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.537 6.912 10.128 1.00 0.67 C ATOM 0 H VAL A 78 -0.470 3.977 9.589 1.00 0.32 H new ATOM 0 HA VAL A 78 1.141 5.637 7.751 1.00 0.36 H new ATOM 0 HB VAL A 78 1.497 5.101 10.720 1.00 0.43 H new ATOM 0 HG11 VAL A 78 3.200 6.874 10.598 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.616 5.483 9.570 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.967 6.969 8.836 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.853 7.465 11.013 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.518 7.582 9.269 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.461 6.505 10.292 1.00 0.67 H new ATOM 1267 N ILE A 79 2.420 3.541 7.172 1.00 0.35 N ATOM 1268 CA ILE A 79 3.238 2.378 6.844 1.00 0.39 C ATOM 1269 C ILE A 79 4.471 2.780 6.020 1.00 0.40 C ATOM 1270 O ILE A 79 4.415 3.716 5.222 1.00 0.43 O ATOM 1271 CB ILE A 79 2.373 1.304 6.121 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.206 0.084 5.675 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.620 1.922 4.949 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.672 0.124 4.231 1.00 0.67 C ATOM 0 H ILE A 79 2.176 4.125 6.372 1.00 0.35 H new ATOM 0 HA ILE A 79 3.612 1.938 7.769 1.00 0.39 H new ATOM 0 HB ILE A 79 1.643 0.934 6.841 1.00 0.48 H new ATOM 0 HG12 ILE A 79 4.080 0.002 6.322 1.00 0.75 H new ATOM 0 HG13 ILE A 79 2.613 -0.818 5.826 1.00 0.75 H new ATOM 0 HG21 ILE A 79 1.021 1.156 4.457 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.966 2.714 5.314 1.00 0.52 H new ATOM 0 HG23 ILE A 79 2.333 2.338 4.237 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.249 -0.774 4.010 1.00 0.67 H new ATOM 0 HD12 ILE A 79 2.806 0.171 3.570 1.00 0.67 H new ATOM 0 HD13 ILE A 79 4.296 1.004 4.074 1.00 0.67 H new ATOM 1286 N GLY A 80 5.589 2.092 6.257 1.00 0.42 N ATOM 1287 CA GLY A 80 6.827 2.382 5.551 1.00 0.46 C ATOM 1288 C GLY A 80 7.155 1.339 4.494 1.00 0.46 C ATOM 1289 O GLY A 80 6.759 0.172 4.612 1.00 0.50 O ATOM 0 H GLY A 80 5.657 1.331 6.933 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.751 3.361 5.079 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.646 2.437 6.268 1.00 0.46 H new ATOM 1293 N TRP A 81 7.932 1.753 3.496 1.00 0.50 N ATOM 1294 CA TRP A 81 8.149 0.958 2.291 1.00 0.51 C ATOM 1295 C TRP A 81 9.157 -0.166 2.507 1.00 0.53 C ATOM 1296 O TRP A 81 10.209 0.027 3.120 1.00 0.81 O ATOM 1297 CB TRP A 81 8.634 1.863 1.160 1.00 0.74 C ATOM 1298 CG TRP A 81 8.778 1.153 -0.143 1.00 0.80 C ATOM 1299 CD1 TRP A 81 9.936 0.782 -0.760 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.714 0.720 -0.980 1.00 1.40 C ATOM 1301 NE1 TRP A 81 9.653 0.136 -1.938 1.00 0.88 N ATOM 1302 CE2 TRP A 81 8.288 0.091 -2.097 1.00 1.44 C ATOM 1303 CE3 TRP A 81 6.327 0.807 -0.886 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 7.516 -0.451 -3.116 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 5.561 0.271 -1.895 1.00 2.78 C ATOM 1306 CH2 TRP A 81 6.156 -0.349 -2.997 1.00 2.79 C ATOM 0 H TRP A 81 8.427 2.645 3.500 1.00 0.50 H new ATOM 0 HA TRP A 81 7.196 0.498 2.031 1.00 0.51 H new ATOM 0 HB2 TRP A 81 7.934 2.690 1.040 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.595 2.297 1.438 1.00 0.74 H new ATOM 0 HD1 TRP A 81 10.929 0.969 -0.378 1.00 0.74 H new ATOM 0 HE1 TRP A 81 10.341 -0.247 -2.587 1.00 0.88 H new ATOM 0 HE3 TRP A 81 5.862 1.286 -0.037 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 7.970 -0.934 -3.969 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 4.484 0.330 -1.835 1.00 2.78 H new ATOM 0 HH2 TRP A 81 5.527 -0.758 -3.774 1.00 2.79 H new ATOM 1317 N ARG A 82 8.834 -1.333 1.968 1.00 0.54 N ATOM 1318 CA ARG A 82 9.714 -2.483 2.014 1.00 0.74 C ATOM 1319 C ARG A 82 9.509 -3.328 0.752 1.00 0.81 C ATOM 1320 O ARG A 82 9.460 -4.554 0.815 1.00 1.47 O ATOM 1321 CB ARG A 82 9.443 -3.314 3.269 1.00 1.06 C ATOM 1322 CG ARG A 82 10.576 -4.260 3.621 1.00 1.64 C ATOM 1323 CD ARG A 82 11.517 -3.645 4.643 1.00 2.68 C ATOM 1324 NE ARG A 82 12.749 -4.412 4.779 1.00 3.63 N ATOM 1325 CZ ARG A 82 13.354 -4.669 5.933 1.00 4.53 C ATOM 1326 NH1 ARG A 82 12.777 -4.351 7.084 1.00 4.80 N ATOM 1327 NH2 ARG A 82 14.529 -5.280 5.933 1.00 5.46 N ATOM 0 H ARG A 82 7.952 -1.505 1.486 1.00 0.54 H new ATOM 0 HA ARG A 82 10.749 -2.144 2.053 1.00 0.74 H new ATOM 0 HB2 ARG A 82 9.266 -2.643 4.109 1.00 1.06 H new ATOM 0 HB3 ARG A 82 8.530 -3.891 3.124 1.00 1.06 H new ATOM 0 HG2 ARG A 82 10.166 -5.190 4.015 1.00 1.64 H new ATOM 0 HG3 ARG A 82 11.133 -4.514 2.719 1.00 1.64 H new ATOM 0 HD2 ARG A 82 11.756 -2.623 4.348 1.00 2.68 H new ATOM 0 HD3 ARG A 82 11.016 -3.588 5.609 1.00 2.68 H new ATOM 0 HE ARG A 82 13.177 -4.777 3.928 1.00 3.63 H new ATOM 0 HH11 ARG A 82 11.860 -3.905 7.089 1.00 4.80 H new ATOM 0 HH12 ARG A 82 13.250 -4.553 7.965 1.00 4.80 H new ATOM 0 HH21 ARG A 82 14.963 -5.550 5.051 1.00 5.46 H new ATOM 0 HH22 ARG A 82 15.000 -5.481 6.815 1.00 5.46 H new ATOM 1341 N LEU A 83 9.358 -2.633 -0.382 1.00 0.79 N ATOM 1342 CA LEU A 83 9.323 -3.249 -1.721 1.00 0.86 C ATOM 1343 C LEU A 83 7.938 -3.741 -2.139 1.00 0.81 C ATOM 1344 O LEU A 83 7.011 -3.824 -1.339 1.00 1.21 O ATOM 1345 CB LEU A 83 10.349 -4.382 -1.846 1.00 1.23 C ATOM 1346 CG LEU A 83 11.486 -4.115 -2.826 1.00 1.13 C ATOM 1347 CD1 LEU A 83 11.004 -4.240 -4.261 1.00 1.55 C ATOM 1348 CD2 LEU A 83 12.048 -2.733 -2.587 1.00 1.28 C ATOM 0 H LEU A 83 9.256 -1.618 -0.400 1.00 0.79 H new ATOM 0 HA LEU A 83 9.589 -2.448 -2.410 1.00 0.86 H new ATOM 0 HB2 LEU A 83 10.775 -4.576 -0.862 1.00 1.23 H new ATOM 0 HB3 LEU A 83 9.830 -5.290 -2.153 1.00 1.23 H new ATOM 0 HG LEU A 83 12.267 -4.858 -2.664 1.00 1.13 H new ATOM 0 HD11 LEU A 83 11.833 -4.045 -4.942 1.00 1.55 H new ATOM 0 HD12 LEU A 83 10.624 -5.248 -4.431 1.00 1.55 H new ATOM 0 HD13 LEU A 83 10.208 -3.517 -4.442 1.00 1.55 H new ATOM 0 HD21 LEU A 83 12.861 -2.544 -3.289 1.00 1.28 H new ATOM 0 HD22 LEU A 83 11.263 -1.991 -2.733 1.00 1.28 H new ATOM 0 HD23 LEU A 83 12.426 -2.665 -1.567 1.00 1.28 H new ATOM 1360 N ASN A 84 7.837 -4.034 -3.435 1.00 0.76 N ATOM 1361 CA ASN A 84 6.612 -4.512 -4.074 1.00 1.00 C ATOM 1362 C ASN A 84 6.990 -5.239 -5.361 1.00 1.25 C ATOM 1363 O ASN A 84 6.402 -6.256 -5.723 1.00 1.93 O ATOM 1364 CB ASN A 84 5.673 -3.342 -4.401 1.00 1.26 C ATOM 1365 CG ASN A 84 4.403 -3.782 -5.111 1.00 1.08 C ATOM 1366 OD1 ASN A 84 3.872 -4.857 -4.857 1.00 1.81 O ATOM 1367 ND2 ASN A 84 3.916 -2.955 -6.026 1.00 0.94 N ATOM 0 H ASN A 84 8.620 -3.944 -4.083 1.00 0.76 H new ATOM 0 HA ASN A 84 6.091 -5.185 -3.393 1.00 1.00 H new ATOM 0 HB2 ASN A 84 5.407 -2.827 -3.478 1.00 1.26 H new ATOM 0 HB3 ASN A 84 6.202 -2.622 -5.026 1.00 1.26 H new ATOM 0 HD21 ASN A 84 3.074 -3.206 -6.544 1.00 0.94 H new ATOM 0 HD22 ASN A 84 4.384 -2.068 -6.212 1.00 0.94 H new ATOM 1374 N GLY A 85 8.005 -4.707 -6.041 1.00 1.69 N ATOM 1375 CA GLY A 85 8.497 -5.318 -7.264 1.00 2.21 C ATOM 1376 C GLY A 85 9.442 -6.477 -6.996 1.00 1.96 C ATOM 1377 O GLY A 85 10.112 -6.954 -7.911 1.00 2.40 O ATOM 0 H GLY A 85 8.497 -3.858 -5.763 1.00 1.69 H new ATOM 0 HA2 GLY A 85 7.652 -5.671 -7.855 1.00 2.21 H new ATOM 0 HA3 GLY A 85 9.011 -4.565 -7.861 1.00 2.21 H new ATOM 1381 N PHE A 86 9.512 -6.894 -5.730 1.00 1.79 N ATOM 1382 CA PHE A 86 10.255 -8.089 -5.313 1.00 2.29 C ATOM 1383 C PHE A 86 11.770 -7.856 -5.323 1.00 2.14 C ATOM 1384 O PHE A 86 12.386 -7.694 -4.267 1.00 2.77 O ATOM 1385 CB PHE A 86 9.877 -9.288 -6.197 1.00 3.16 C ATOM 1386 CG PHE A 86 10.410 -10.606 -5.717 1.00 3.79 C ATOM 1387 CD1 PHE A 86 9.742 -11.315 -4.732 1.00 4.45 C ATOM 1388 CD2 PHE A 86 11.567 -11.145 -6.258 1.00 4.03 C ATOM 1389 CE1 PHE A 86 10.217 -12.535 -4.296 1.00 5.26 C ATOM 1390 CE2 PHE A 86 12.048 -12.363 -5.824 1.00 4.80 C ATOM 1391 CZ PHE A 86 11.372 -13.060 -4.843 1.00 5.38 C ATOM 0 H PHE A 86 9.052 -6.410 -4.959 1.00 1.79 H new ATOM 0 HA PHE A 86 9.974 -8.310 -4.283 1.00 2.29 H new ATOM 0 HB2 PHE A 86 8.790 -9.350 -6.258 1.00 3.16 H new ATOM 0 HB3 PHE A 86 10.244 -9.108 -7.208 1.00 3.16 H new ATOM 0 HD1 PHE A 86 8.839 -10.908 -4.300 1.00 4.45 H new ATOM 0 HD2 PHE A 86 12.098 -10.605 -7.028 1.00 4.03 H new ATOM 0 HE1 PHE A 86 9.687 -13.079 -3.528 1.00 5.26 H new ATOM 0 HE2 PHE A 86 12.952 -12.771 -6.251 1.00 4.80 H new ATOM 0 HZ PHE A 86 11.746 -14.015 -4.503 1.00 5.38 H new ATOM 1401 N GLY A 87 12.361 -7.813 -6.511 1.00 1.90 N ATOM 1402 CA GLY A 87 13.808 -7.751 -6.622 1.00 2.08 C ATOM 1403 C GLY A 87 14.352 -6.337 -6.650 1.00 1.87 C ATOM 1404 O GLY A 87 14.811 -5.865 -7.691 1.00 2.30 O ATOM 0 H GLY A 87 11.864 -7.820 -7.402 1.00 1.90 H new ATOM 0 HA2 GLY A 87 14.252 -8.286 -5.783 1.00 2.08 H new ATOM 0 HA3 GLY A 87 14.117 -8.269 -7.530 1.00 2.08 H new ATOM 1408 N ARG A 88 14.303 -5.660 -5.513 1.00 1.33 N ATOM 1409 CA ARG A 88 14.867 -4.327 -5.392 1.00 1.18 C ATOM 1410 C ARG A 88 15.432 -4.124 -3.989 1.00 1.09 C ATOM 1411 O ARG A 88 15.331 -5.007 -3.138 1.00 1.21 O ATOM 1412 CB ARG A 88 13.800 -3.268 -5.665 1.00 0.98 C ATOM 1413 CG ARG A 88 14.361 -1.879 -5.914 1.00 1.64 C ATOM 1414 CD ARG A 88 13.371 -0.799 -5.518 1.00 2.32 C ATOM 1415 NE ARG A 88 13.484 -0.410 -4.114 1.00 3.00 N ATOM 1416 CZ ARG A 88 12.759 0.551 -3.540 1.00 3.96 C ATOM 1417 NH1 ARG A 88 11.817 1.174 -4.226 1.00 4.44 N ATOM 1418 NH2 ARG A 88 12.969 0.870 -2.269 1.00 4.77 N ATOM 0 H ARG A 88 13.876 -6.015 -4.658 1.00 1.33 H new ATOM 0 HA ARG A 88 15.667 -4.225 -6.126 1.00 1.18 H new ATOM 0 HB2 ARG A 88 13.213 -3.573 -6.531 1.00 0.98 H new ATOM 0 HB3 ARG A 88 13.118 -3.227 -4.816 1.00 0.98 H new ATOM 0 HG2 ARG A 88 15.285 -1.752 -5.349 1.00 1.64 H new ATOM 0 HG3 ARG A 88 14.615 -1.772 -6.969 1.00 1.64 H new ATOM 0 HD2 ARG A 88 13.527 0.078 -6.146 1.00 2.32 H new ATOM 0 HD3 ARG A 88 12.358 -1.153 -5.711 1.00 2.32 H new ATOM 0 HE ARG A 88 14.162 -0.906 -3.535 1.00 3.00 H new ATOM 0 HH11 ARG A 88 11.642 0.920 -5.198 1.00 4.44 H new ATOM 0 HH12 ARG A 88 11.265 1.908 -3.783 1.00 4.44 H new ATOM 0 HH21 ARG A 88 13.685 0.380 -1.732 1.00 4.77 H new ATOM 0 HH22 ARG A 88 12.415 1.605 -1.829 1.00 4.77 H new ATOM 1432 N ILE A 89 15.997 -2.946 -3.757 1.00 1.08 N ATOM 1433 CA ILE A 89 16.546 -2.586 -2.460 1.00 1.08 C ATOM 1434 C ILE A 89 15.411 -2.104 -1.553 1.00 1.04 C ATOM 1435 O ILE A 89 14.632 -1.236 -1.938 1.00 1.15 O ATOM 1436 CB ILE A 89 17.662 -1.490 -2.610 1.00 1.29 C ATOM 1437 CG1 ILE A 89 17.222 -0.099 -2.119 1.00 1.86 C ATOM 1438 CG2 ILE A 89 18.108 -1.377 -4.068 1.00 1.11 C ATOM 1439 CD1 ILE A 89 17.333 0.102 -0.620 1.00 1.70 C ATOM 0 H ILE A 89 16.087 -2.215 -4.463 1.00 1.08 H new ATOM 0 HA ILE A 89 17.014 -3.461 -2.008 1.00 1.08 H new ATOM 0 HB ILE A 89 18.487 -1.818 -1.978 1.00 1.29 H new ATOM 0 HG12 ILE A 89 17.826 0.657 -2.620 1.00 1.86 H new ATOM 0 HG13 ILE A 89 16.188 0.068 -2.420 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.881 -0.613 -4.154 1.00 1.11 H new ATOM 0 HG22 ILE A 89 18.506 -2.335 -4.402 1.00 1.11 H new ATOM 0 HG23 ILE A 89 17.256 -1.102 -4.689 1.00 1.11 H new ATOM 0 HD11 ILE A 89 17.003 1.108 -0.362 1.00 1.70 H new ATOM 0 HD12 ILE A 89 16.706 -0.628 -0.108 1.00 1.70 H new ATOM 0 HD13 ILE A 89 18.370 -0.030 -0.311 1.00 1.70 H new ATOM 1451 N ASP A 90 15.282 -2.675 -0.373 1.00 1.05 N ATOM 1452 CA ASP A 90 14.275 -2.212 0.571 1.00 1.15 C ATOM 1453 C ASP A 90 14.898 -1.245 1.568 1.00 1.01 C ATOM 1454 O ASP A 90 15.937 -1.525 2.163 1.00 1.14 O ATOM 1455 CB ASP A 90 13.574 -3.382 1.276 1.00 1.54 C ATOM 1456 CG ASP A 90 14.526 -4.360 1.954 1.00 2.36 C ATOM 1457 OD1 ASP A 90 14.071 -5.218 2.740 1.00 2.64 O ATOM 1458 OD2 ASP A 90 15.744 -4.253 1.717 1.00 3.18 O ATOM 0 H ASP A 90 15.853 -3.453 -0.043 1.00 1.05 H new ATOM 0 HA ASP A 90 13.504 -1.680 0.014 1.00 1.15 H new ATOM 0 HB2 ASP A 90 12.887 -2.983 2.023 1.00 1.54 H new ATOM 0 HB3 ASP A 90 12.972 -3.924 0.546 1.00 1.54 H new ATOM 1463 N PRO A 91 14.271 -0.072 1.737 1.00 1.32 N ATOM 1464 CA PRO A 91 14.843 1.032 2.510 1.00 1.52 C ATOM 1465 C PRO A 91 15.037 0.693 3.978 1.00 1.24 C ATOM 1466 O PRO A 91 16.034 1.093 4.575 1.00 1.58 O ATOM 1467 CB PRO A 91 13.815 2.158 2.366 1.00 2.16 C ATOM 1468 CG PRO A 91 12.958 1.763 1.211 1.00 2.36 C ATOM 1469 CD PRO A 91 12.951 0.265 1.195 1.00 1.92 C ATOM 0 HA PRO A 91 15.837 1.289 2.144 1.00 1.52 H new ATOM 0 HB2 PRO A 91 13.224 2.269 3.275 1.00 2.16 H new ATOM 0 HB3 PRO A 91 14.303 3.115 2.184 1.00 2.16 H new ATOM 0 HG2 PRO A 91 11.948 2.157 1.322 1.00 2.36 H new ATOM 0 HG3 PRO A 91 13.354 2.161 0.277 1.00 2.36 H new ATOM 0 HD2 PRO A 91 12.146 -0.142 1.807 1.00 1.92 H new ATOM 0 HD3 PRO A 91 12.815 -0.128 0.187 1.00 1.92 H new ATOM 1477 N ASP A 92 14.064 -0.019 4.555 1.00 1.06 N ATOM 1478 CA ASP A 92 14.093 -0.413 5.974 1.00 1.34 C ATOM 1479 C ASP A 92 13.944 0.787 6.929 1.00 1.18 C ATOM 1480 O ASP A 92 13.372 0.653 8.008 1.00 1.61 O ATOM 1481 CB ASP A 92 15.381 -1.186 6.294 1.00 1.93 C ATOM 1482 CG ASP A 92 15.495 -1.553 7.761 1.00 2.60 C ATOM 1483 OD1 ASP A 92 15.022 -2.646 8.143 1.00 2.98 O ATOM 1484 OD2 ASP A 92 16.059 -0.757 8.541 1.00 2.99 O ATOM 0 H ASP A 92 13.234 -0.340 4.056 1.00 1.06 H new ATOM 0 HA ASP A 92 13.231 -1.061 6.135 1.00 1.34 H new ATOM 0 HB2 ASP A 92 15.413 -2.095 5.693 1.00 1.93 H new ATOM 0 HB3 ASP A 92 16.242 -0.583 6.007 1.00 1.93 H new ATOM 1489 N ASN A 93 14.424 1.961 6.522 1.00 1.06 N ATOM 1490 CA ASN A 93 14.469 3.121 7.406 1.00 1.26 C ATOM 1491 C ASN A 93 13.082 3.702 7.584 1.00 1.04 C ATOM 1492 O ASN A 93 12.555 3.775 8.696 1.00 1.49 O ATOM 1493 CB ASN A 93 15.398 4.203 6.844 1.00 1.65 C ATOM 1494 CG ASN A 93 16.874 3.850 6.909 1.00 2.22 C ATOM 1495 OD1 ASN A 93 17.717 4.731 7.073 1.00 3.06 O ATOM 1496 ND2 ASN A 93 17.204 2.579 6.752 1.00 2.21 N ATOM 0 H ASN A 93 14.787 2.133 5.584 1.00 1.06 H new ATOM 0 HA ASN A 93 14.853 2.789 8.370 1.00 1.26 H new ATOM 0 HB2 ASN A 93 15.127 4.396 5.806 1.00 1.65 H new ATOM 0 HB3 ASN A 93 15.233 5.130 7.394 1.00 1.65 H new ATOM 0 HD21 ASN A 93 18.185 2.302 6.765 1.00 2.21 H new ATOM 0 HD22 ASN A 93 16.477 1.876 6.618 1.00 2.21 H new ATOM 1503 N SER A 94 12.492 4.118 6.478 1.00 0.68 N ATOM 1504 CA SER A 94 11.173 4.700 6.513 1.00 0.77 C ATOM 1505 C SER A 94 10.464 4.545 5.173 1.00 0.72 C ATOM 1506 O SER A 94 9.813 3.531 4.927 1.00 1.22 O ATOM 1507 CB SER A 94 11.269 6.171 6.927 1.00 1.19 C ATOM 1508 OG SER A 94 12.157 6.892 6.082 1.00 1.85 O ATOM 0 H SER A 94 12.909 4.062 5.549 1.00 0.68 H new ATOM 0 HA SER A 94 10.575 4.168 7.253 1.00 0.77 H new ATOM 0 HB2 SER A 94 10.279 6.626 6.890 1.00 1.19 H new ATOM 0 HB3 SER A 94 11.612 6.238 7.959 1.00 1.19 H new ATOM 0 HG SER A 94 12.569 7.623 6.588 1.00 1.85 H new ATOM 1514 N SER A 95 10.630 5.536 4.295 1.00 0.60 N ATOM 1515 CA SER A 95 9.843 5.619 3.065 1.00 0.67 C ATOM 1516 C SER A 95 8.368 5.568 3.431 1.00 0.70 C ATOM 1517 O SER A 95 7.540 5.003 2.720 1.00 1.27 O ATOM 1518 CB SER A 95 10.212 4.490 2.107 1.00 0.93 C ATOM 1519 OG SER A 95 11.583 4.542 1.772 1.00 1.44 O ATOM 0 H SER A 95 11.303 6.293 4.414 1.00 0.60 H new ATOM 0 HA SER A 95 10.058 6.557 2.552 1.00 0.67 H new ATOM 0 HB2 SER A 95 9.982 3.528 2.566 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.609 4.564 1.202 1.00 0.93 H new ATOM 0 HG SER A 95 12.089 4.915 2.523 1.00 1.44 H new ATOM 1525 N GLU A 96 8.083 6.203 4.552 1.00 0.48 N ATOM 1526 CA GLU A 96 6.788 6.172 5.194 1.00 0.45 C ATOM 1527 C GLU A 96 5.759 6.976 4.410 1.00 0.45 C ATOM 1528 O GLU A 96 6.073 8.024 3.840 1.00 0.60 O ATOM 1529 CB GLU A 96 6.956 6.739 6.602 1.00 0.56 C ATOM 1530 CG GLU A 96 5.719 6.680 7.472 1.00 1.11 C ATOM 1531 CD GLU A 96 5.990 7.235 8.852 1.00 1.30 C ATOM 1532 OE1 GLU A 96 5.588 8.385 9.128 1.00 1.81 O ATOM 1533 OE2 GLU A 96 6.627 6.530 9.661 1.00 1.33 O ATOM 0 H GLU A 96 8.767 6.770 5.053 1.00 0.48 H new ATOM 0 HA GLU A 96 6.420 5.147 5.235 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.758 6.196 7.102 1.00 0.56 H new ATOM 0 HB3 GLU A 96 7.275 7.778 6.522 1.00 0.56 H new ATOM 0 HG2 GLU A 96 4.914 7.245 7.002 1.00 1.11 H new ATOM 0 HG3 GLU A 96 5.378 5.648 7.553 1.00 1.11 H new ATOM 1540 N PHE A 97 4.543 6.459 4.365 1.00 0.39 N ATOM 1541 CA PHE A 97 3.433 7.163 3.754 1.00 0.40 C ATOM 1542 C PHE A 97 2.181 6.994 4.592 1.00 0.41 C ATOM 1543 O PHE A 97 1.876 5.897 5.070 1.00 0.53 O ATOM 1544 CB PHE A 97 3.192 6.702 2.309 1.00 0.51 C ATOM 1545 CG PHE A 97 3.202 5.213 2.102 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.403 4.528 2.037 1.00 0.46 C ATOM 1547 CD2 PHE A 97 2.020 4.503 1.944 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.435 3.168 1.826 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.043 3.138 1.733 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.253 2.469 1.671 1.00 0.63 C ATOM 0 H PHE A 97 4.300 5.546 4.749 1.00 0.39 H new ATOM 0 HA PHE A 97 3.689 8.222 3.715 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.231 7.093 1.976 1.00 0.51 H new ATOM 0 HB3 PHE A 97 3.955 7.147 1.671 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.330 5.069 2.154 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.074 5.022 1.986 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.381 2.649 1.782 1.00 0.53 H new ATOM 0 HE2 PHE A 97 1.118 2.593 1.617 1.00 0.64 H new ATOM 0 HZ PHE A 97 3.273 1.403 1.502 1.00 0.63 H new ATOM 1560 N THR A 98 1.485 8.092 4.799 1.00 0.35 N ATOM 1561 CA THR A 98 0.265 8.083 5.569 1.00 0.36 C ATOM 1562 C THR A 98 -0.943 8.049 4.643 1.00 0.33 C ATOM 1563 O THR A 98 -1.150 8.957 3.836 1.00 0.36 O ATOM 1564 CB THR A 98 0.191 9.311 6.491 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.404 9.408 7.251 1.00 0.43 O ATOM 1566 CG2 THR A 98 -0.997 9.216 7.438 1.00 0.40 C ATOM 0 H THR A 98 1.749 9.009 4.440 1.00 0.35 H new ATOM 0 HA THR A 98 0.260 7.187 6.190 1.00 0.36 H new ATOM 0 HB THR A 98 0.064 10.200 5.873 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.360 10.191 7.838 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.024 10.098 8.078 1.00 0.40 H new ATOM 0 HG22 THR A 98 -1.919 9.159 6.860 1.00 0.40 H new ATOM 0 HG23 THR A 98 -0.900 8.323 8.055 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.711 6.976 4.742 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.919 6.816 3.953 1.00 0.35 C ATOM 1576 C VAL A 99 -4.074 7.550 4.621 1.00 0.31 C ATOM 1577 O VAL A 99 -4.522 7.149 5.693 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.282 5.322 3.793 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.580 5.155 3.022 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -2.156 4.567 3.106 1.00 0.87 C ATOM 0 H VAL A 99 -1.515 6.196 5.369 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.738 7.237 2.964 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.423 4.903 4.789 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.811 4.094 2.924 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.388 5.655 3.557 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.474 5.596 2.031 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.431 3.517 3.003 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.980 4.995 2.119 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -1.247 4.647 3.703 1.00 0.87 H new ATOM 1590 N THR A 100 -4.527 8.631 4.002 1.00 0.31 N ATOM 1591 CA THR A 100 -5.612 9.429 4.552 1.00 0.30 C ATOM 1592 C THR A 100 -6.943 9.096 3.884 1.00 0.26 C ATOM 1593 O THR A 100 -7.183 9.485 2.748 1.00 0.28 O ATOM 1594 CB THR A 100 -5.329 10.935 4.370 1.00 0.36 C ATOM 1595 OG1 THR A 100 -3.977 11.225 4.752 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.286 11.777 5.204 1.00 0.36 C ATOM 0 H THR A 100 -4.158 8.976 3.116 1.00 0.31 H new ATOM 0 HA THR A 100 -5.677 9.191 5.614 1.00 0.30 H new ATOM 0 HB THR A 100 -5.477 11.184 3.319 1.00 0.36 H new ATOM 0 HG1 THR A 100 -3.385 11.097 3.982 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.064 12.834 5.057 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.312 11.575 4.895 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.168 11.525 6.258 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.807 8.375 4.593 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.130 8.045 4.074 1.00 0.24 C ATOM 1606 C PHE A 101 -10.179 9.028 4.587 1.00 0.25 C ATOM 1607 O PHE A 101 -10.470 9.079 5.785 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.547 6.624 4.464 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.864 5.523 3.699 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.970 5.454 2.320 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.097 4.574 4.357 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.323 4.459 1.611 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.453 3.573 3.653 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.641 3.459 2.293 1.00 0.29 C ATOM 0 H PHE A 101 -7.615 8.009 5.526 1.00 0.25 H new ATOM 0 HA PHE A 101 -9.069 8.111 2.988 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.349 6.483 5.527 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.624 6.527 4.325 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.565 6.185 1.793 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -8.001 4.617 5.432 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.348 4.459 0.531 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.803 2.881 4.169 1.00 0.31 H new ATOM 0 HZ PHE A 101 -7.261 2.599 1.761 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.744 9.800 3.680 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.823 10.714 4.017 1.00 0.31 C ATOM 1626 C VAL A 102 -13.159 10.053 3.706 1.00 0.30 C ATOM 1627 O VAL A 102 -13.489 9.830 2.538 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.711 12.042 3.239 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.785 13.025 3.689 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -10.321 12.645 3.405 1.00 0.54 C ATOM 0 H VAL A 102 -10.473 9.814 2.697 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.752 10.943 5.080 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.868 11.832 2.181 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.687 13.954 3.127 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.770 12.595 3.509 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.667 13.230 4.753 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -10.262 13.581 2.849 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -10.132 12.838 4.461 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.574 11.948 3.024 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.909 9.722 4.749 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.157 8.990 4.590 1.00 0.35 C ATOM 1642 C ALA A 103 -16.261 9.882 4.057 1.00 0.39 C ATOM 1643 O ALA A 103 -16.444 11.013 4.510 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.579 8.360 5.906 1.00 0.44 C ATOM 0 H ALA A 103 -13.674 9.950 5.715 1.00 0.31 H new ATOM 0 HA ALA A 103 -14.983 8.199 3.860 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.514 7.817 5.766 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.806 7.670 6.243 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.721 9.140 6.654 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.981 9.360 3.085 1.00 0.48 N ATOM 1651 CA ASP A 104 -18.128 10.039 2.524 1.00 0.57 C ATOM 1652 C ASP A 104 -19.355 9.163 2.702 1.00 0.64 C ATOM 1653 O ASP A 104 -19.374 8.013 2.252 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.904 10.337 1.044 1.00 0.58 C ATOM 1655 CG ASP A 104 -19.034 11.144 0.432 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -19.240 12.303 0.850 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -19.719 10.631 -0.472 1.00 2.03 O ATOM 0 H ASP A 104 -16.786 8.452 2.662 1.00 0.48 H new ATOM 0 HA ASP A 104 -18.275 10.987 3.041 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -16.968 10.882 0.925 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.798 9.398 0.501 1.00 0.58 H new ATOM 1662 N GLY A 105 -20.365 9.709 3.358 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.557 8.945 3.692 1.00 0.83 C ATOM 1664 C GLY A 105 -22.310 8.431 2.479 1.00 1.06 C ATOM 1665 O GLY A 105 -23.204 7.595 2.611 1.00 1.97 O ATOM 0 H GLY A 105 -20.384 10.680 3.671 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -21.272 8.099 4.318 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -22.224 9.570 4.285 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.944 8.907 1.300 1.00 1.24 N ATOM 1670 CA GLN A 106 -22.607 8.488 0.081 1.00 2.07 C ATOM 1671 C GLN A 106 -21.795 7.395 -0.622 1.00 1.73 C ATOM 1672 O GLN A 106 -21.514 7.485 -1.818 1.00 2.51 O ATOM 1673 CB GLN A 106 -22.821 9.695 -0.839 1.00 2.98 C ATOM 1674 CG GLN A 106 -23.834 9.445 -1.945 1.00 3.83 C ATOM 1675 CD GLN A 106 -25.156 8.931 -1.413 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -25.366 7.721 -1.298 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -26.053 9.841 -1.077 1.00 4.93 N ATOM 0 H GLN A 106 -21.192 9.583 1.164 1.00 1.24 H new ATOM 0 HA GLN A 106 -23.582 8.070 0.332 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -23.151 10.544 -0.240 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -21.867 9.973 -1.287 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -24.002 10.371 -2.496 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -23.425 8.723 -2.652 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -25.840 10.832 -1.188 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -26.959 9.552 -0.707 1.00 4.93 H new ATOM 1686 N LYS A 107 -21.412 6.368 0.149 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.737 5.179 -0.391 1.00 0.48 C ATOM 1688 C LYS A 107 -19.419 5.547 -1.061 1.00 0.38 C ATOM 1689 O LYS A 107 -18.973 4.881 -1.992 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.653 4.472 -1.394 1.00 0.72 C ATOM 1691 CG LYS A 107 -23.021 4.130 -0.828 1.00 1.55 C ATOM 1692 CD LYS A 107 -22.932 3.088 0.274 1.00 2.23 C ATOM 1693 CE LYS A 107 -24.299 2.813 0.876 1.00 2.95 C ATOM 1694 NZ LYS A 107 -24.264 1.711 1.872 1.00 3.53 N ATOM 0 H LYS A 107 -21.560 6.337 1.158 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.518 4.507 0.439 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.780 5.108 -2.270 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -21.169 3.556 -1.733 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -23.489 5.034 -0.437 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -23.663 3.760 -1.627 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -22.515 2.164 -0.127 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -22.251 3.434 1.052 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -24.673 3.719 1.353 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -25.000 2.559 0.081 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -25.219 1.559 2.256 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -23.933 0.839 1.413 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -23.616 1.963 2.646 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.772 6.577 -0.552 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.584 7.117 -1.190 1.00 0.29 C ATOM 1710 C LYS A 108 -16.479 7.325 -0.166 1.00 0.27 C ATOM 1711 O LYS A 108 -16.749 7.450 1.026 1.00 0.28 O ATOM 1712 CB LYS A 108 -17.950 8.443 -1.853 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.830 9.111 -2.630 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.099 10.602 -2.842 1.00 1.09 C ATOM 1715 CE LYS A 108 -18.290 10.875 -3.763 1.00 1.62 C ATOM 1716 NZ LYS A 108 -19.583 10.389 -3.205 1.00 2.44 N ATOM 0 H LYS A 108 -19.049 7.059 0.303 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.218 6.416 -1.940 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.788 8.273 -2.529 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.297 9.132 -1.083 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -15.889 8.984 -2.094 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.715 8.621 -3.597 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -17.280 11.073 -1.876 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -16.208 11.069 -3.262 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -18.361 11.947 -3.948 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -18.114 10.396 -4.726 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -20.343 11.050 -3.464 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -19.796 9.447 -3.592 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -19.514 10.330 -2.169 1.00 2.44 H new ATOM 1730 N THR A 109 -15.238 7.327 -0.626 1.00 0.26 N ATOM 1731 CA THR A 109 -14.106 7.663 0.222 1.00 0.25 C ATOM 1732 C THR A 109 -12.919 8.106 -0.615 1.00 0.26 C ATOM 1733 O THR A 109 -12.490 7.406 -1.532 1.00 0.35 O ATOM 1734 CB THR A 109 -13.699 6.491 1.140 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.716 6.291 2.119 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.373 6.760 1.836 1.00 0.42 C ATOM 0 H THR A 109 -14.989 7.098 -1.588 1.00 0.26 H new ATOM 0 HA THR A 109 -14.421 8.489 0.860 1.00 0.25 H new ATOM 0 HB THR A 109 -13.581 5.599 0.525 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.404 6.982 2.022 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.119 5.914 2.474 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.592 6.899 1.089 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.458 7.660 2.445 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.415 9.284 -0.304 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.261 9.832 -0.989 1.00 0.27 C ATOM 1746 C ARG A 110 -10.023 9.637 -0.134 1.00 0.26 C ATOM 1747 O ARG A 110 -10.016 10.001 1.041 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.488 11.317 -1.264 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.290 12.040 -1.863 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.941 11.509 -3.244 1.00 0.62 C ATOM 1751 NE ARG A 110 -8.925 12.325 -3.899 1.00 1.27 N ATOM 1752 CZ ARG A 110 -8.656 12.276 -5.199 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -9.297 11.420 -5.987 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -7.741 13.089 -5.711 1.00 2.59 N ATOM 0 H ARG A 110 -12.792 9.886 0.428 1.00 0.25 H new ATOM 0 HA ARG A 110 -11.118 9.316 -1.938 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.335 11.422 -1.941 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.763 11.808 -0.331 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.505 13.107 -1.928 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.430 11.927 -1.203 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -9.583 10.483 -3.159 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -10.839 11.483 -3.861 1.00 0.62 H new ATOM 0 HE ARG A 110 -8.388 12.973 -3.323 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -10.001 10.795 -5.595 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -9.085 11.388 -6.984 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -7.248 13.747 -5.107 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -7.530 13.056 -6.708 1.00 2.59 H new ATOM 1768 N VAL A 111 -8.996 9.038 -0.706 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.749 8.854 0.006 1.00 0.27 C ATOM 1770 C VAL A 111 -6.632 9.653 -0.636 1.00 0.29 C ATOM 1771 O VAL A 111 -6.493 9.680 -1.863 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.321 7.373 0.068 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -7.116 6.811 -1.320 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.047 7.213 0.876 1.00 0.33 C ATOM 0 H VAL A 111 -9.002 8.672 -1.658 1.00 0.27 H new ATOM 0 HA VAL A 111 -7.926 9.209 1.021 1.00 0.27 H new ATOM 0 HB VAL A 111 -8.122 6.819 0.557 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.815 5.766 -1.249 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -8.047 6.883 -1.883 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.338 7.379 -1.831 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.765 6.161 0.906 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.247 7.790 0.412 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.212 7.573 1.891 1.00 0.33 H new ATOM 1784 N ASP A 112 -5.847 10.306 0.195 1.00 0.31 N ATOM 1785 CA ASP A 112 -4.629 10.924 -0.264 1.00 0.37 C ATOM 1786 C ASP A 112 -3.467 10.445 0.591 1.00 0.37 C ATOM 1787 O ASP A 112 -3.474 10.557 1.817 1.00 0.40 O ATOM 1788 CB ASP A 112 -4.738 12.456 -0.299 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.698 13.130 1.059 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.597 13.544 1.483 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -5.771 13.306 1.674 1.00 1.38 O ATOM 0 H ASP A 112 -6.034 10.420 1.191 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.447 10.620 -1.295 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -3.924 12.850 -0.908 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.669 12.728 -0.796 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.510 9.823 -0.069 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.324 9.317 0.593 1.00 0.41 C ATOM 1798 C VAL A 113 -0.238 10.368 0.587 1.00 0.43 C ATOM 1799 O VAL A 113 0.187 10.820 -0.476 1.00 0.47 O ATOM 1800 CB VAL A 113 -0.814 8.016 -0.084 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.709 7.900 -0.054 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -1.437 6.810 0.591 1.00 0.77 C ATOM 0 H VAL A 113 -2.532 9.655 -1.075 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.587 9.079 1.624 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.113 8.055 -1.131 1.00 0.50 H new ATOM 0 HG11 VAL A 113 1.013 6.973 -0.540 1.00 0.91 H new ATOM 0 HG12 VAL A 113 1.149 8.747 -0.581 1.00 0.91 H new ATOM 0 HG13 VAL A 113 1.053 7.897 0.980 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.077 5.899 0.113 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -1.161 6.800 1.645 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -2.522 6.862 0.500 1.00 0.77 H new ATOM 1812 N GLU A 114 0.192 10.754 1.773 1.00 0.47 N ATOM 1813 CA GLU A 114 1.300 11.669 1.909 1.00 0.55 C ATOM 1814 C GLU A 114 2.574 10.879 2.144 1.00 0.60 C ATOM 1815 O GLU A 114 2.743 10.230 3.178 1.00 0.62 O ATOM 1816 CB GLU A 114 1.057 12.653 3.054 1.00 0.67 C ATOM 1817 CG GLU A 114 2.236 13.575 3.320 1.00 1.31 C ATOM 1818 CD GLU A 114 2.003 14.500 4.495 1.00 1.75 C ATOM 1819 OE1 GLU A 114 1.394 14.060 5.493 1.00 2.31 O ATOM 1820 OE2 GLU A 114 2.449 15.669 4.435 1.00 2.05 O ATOM 0 H GLU A 114 -0.213 10.445 2.657 1.00 0.47 H new ATOM 0 HA GLU A 114 1.399 12.249 0.991 1.00 0.55 H new ATOM 0 HB2 GLU A 114 0.179 13.256 2.824 1.00 0.67 H new ATOM 0 HB3 GLU A 114 0.831 12.094 3.962 1.00 0.67 H new ATOM 0 HG2 GLU A 114 3.126 12.974 3.507 1.00 1.31 H new ATOM 0 HG3 GLU A 114 2.434 14.170 2.429 1.00 1.31 H new ATOM 1827 N HIS A 115 3.445 10.907 1.158 1.00 0.70 N ATOM 1828 CA HIS A 115 4.718 10.226 1.242 1.00 0.80 C ATOM 1829 C HIS A 115 5.824 11.224 0.965 1.00 0.89 C ATOM 1830 O HIS A 115 6.099 11.550 -0.186 1.00 1.17 O ATOM 1831 CB HIS A 115 4.753 9.081 0.229 1.00 0.92 C ATOM 1832 CG HIS A 115 6.011 8.266 0.223 1.00 0.87 C ATOM 1833 ND1 HIS A 115 7.182 8.681 -0.374 1.00 1.59 N ATOM 1834 CD2 HIS A 115 6.256 7.025 0.695 1.00 1.36 C ATOM 1835 CE1 HIS A 115 8.087 7.726 -0.272 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.551 6.710 0.373 1.00 1.47 N ATOM 0 H HIS A 115 3.291 11.401 0.279 1.00 0.70 H new ATOM 0 HA HIS A 115 4.859 9.806 2.238 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.911 8.417 0.427 1.00 0.92 H new ATOM 0 HB3 HIS A 115 4.604 9.496 -0.768 1.00 0.92 H new ATOM 0 HD1 HIS A 115 7.326 9.585 -0.824 1.00 1.59 H new ATOM 0 HD2 HIS A 115 5.559 6.396 1.229 1.00 1.36 H new ATOM 0 HE1 HIS A 115 9.097 7.770 -0.653 1.00 1.64 H new ATOM 1845 N THR A 116 6.431 11.724 2.019 1.00 0.90 N ATOM 1846 CA THR A 116 7.487 12.704 1.890 1.00 1.08 C ATOM 1847 C THR A 116 8.446 12.583 3.072 1.00 0.83 C ATOM 1848 O THR A 116 8.274 13.213 4.117 1.00 1.67 O ATOM 1849 CB THR A 116 6.902 14.137 1.768 1.00 1.92 C ATOM 1850 OG1 THR A 116 7.945 15.111 1.719 1.00 2.67 O ATOM 1851 CG2 THR A 116 5.943 14.459 2.909 1.00 2.51 C ATOM 0 H THR A 116 6.209 11.466 2.981 1.00 0.90 H new ATOM 0 HA THR A 116 8.046 12.510 0.974 1.00 1.08 H new ATOM 0 HB THR A 116 6.339 14.172 0.835 1.00 1.92 H new ATOM 0 HG1 THR A 116 8.158 15.315 0.785 1.00 2.67 H new ATOM 0 HG21 THR A 116 5.557 15.471 2.785 1.00 2.51 H new ATOM 0 HG22 THR A 116 5.115 13.751 2.899 1.00 2.51 H new ATOM 0 HG23 THR A 116 6.471 14.386 3.860 1.00 2.51 H new ATOM 1859 N HIS A 117 9.439 11.721 2.917 1.00 0.72 N ATOM 1860 CA HIS A 117 10.348 11.415 4.011 1.00 1.13 C ATOM 1861 C HIS A 117 11.663 10.876 3.468 1.00 0.90 C ATOM 1862 O HIS A 117 12.666 11.584 3.408 1.00 0.97 O ATOM 1863 CB HIS A 117 9.703 10.381 4.942 1.00 1.98 C ATOM 1864 CG HIS A 117 10.211 10.413 6.350 1.00 2.07 C ATOM 1865 ND1 HIS A 117 9.412 10.737 7.421 1.00 2.40 N ATOM 1866 CD2 HIS A 117 11.433 10.141 6.865 1.00 2.33 C ATOM 1867 CE1 HIS A 117 10.115 10.666 8.533 1.00 2.60 C ATOM 1868 NE2 HIS A 117 11.344 10.304 8.223 1.00 2.63 N ATOM 0 H HIS A 117 9.636 11.223 2.049 1.00 0.72 H new ATOM 0 HA HIS A 117 10.550 12.328 4.571 1.00 1.13 H new ATOM 0 HB2 HIS A 117 8.625 10.543 4.954 1.00 1.98 H new ATOM 0 HB3 HIS A 117 9.871 9.386 4.531 1.00 1.98 H new ATOM 0 HD2 HIS A 117 12.313 9.850 6.310 1.00 2.33 H new ATOM 0 HE1 HIS A 117 9.747 10.869 9.528 1.00 2.60 H new ATOM 0 HE2 HIS A 117 12.106 10.167 8.887 1.00 2.63 H new ATOM 1877 N PHE A 118 11.643 9.618 3.055 1.00 0.76 N ATOM 1878 CA PHE A 118 12.824 8.982 2.500 1.00 0.76 C ATOM 1879 C PHE A 118 13.072 9.540 1.104 1.00 0.65 C ATOM 1880 O PHE A 118 14.201 9.804 0.721 1.00 0.74 O ATOM 1881 CB PHE A 118 12.622 7.462 2.446 1.00 0.97 C ATOM 1882 CG PHE A 118 13.884 6.658 2.293 1.00 1.74 C ATOM 1883 CD1 PHE A 118 14.343 5.884 3.344 1.00 2.35 C ATOM 1884 CD2 PHE A 118 14.601 6.668 1.110 1.00 2.32 C ATOM 1885 CE1 PHE A 118 15.497 5.136 3.220 1.00 3.18 C ATOM 1886 CE2 PHE A 118 15.758 5.923 0.978 1.00 3.21 C ATOM 1887 CZ PHE A 118 16.206 5.155 2.035 1.00 3.54 C ATOM 0 H PHE A 118 10.819 9.018 3.095 1.00 0.76 H new ATOM 0 HA PHE A 118 13.690 9.188 3.130 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.116 7.145 3.358 1.00 0.97 H new ATOM 0 HB3 PHE A 118 11.957 7.228 1.615 1.00 0.97 H new ATOM 0 HD1 PHE A 118 13.792 5.865 4.273 1.00 2.35 H new ATOM 0 HD2 PHE A 118 14.253 7.265 0.280 1.00 2.32 H new ATOM 0 HE1 PHE A 118 15.845 4.537 4.049 1.00 3.18 H new ATOM 0 HE2 PHE A 118 16.311 5.941 0.050 1.00 3.21 H new ATOM 0 HZ PHE A 118 17.109 4.571 1.935 1.00 3.54 H new ATOM 1897 N ASP A 119 11.987 9.759 0.379 1.00 0.66 N ATOM 1898 CA ASP A 119 12.039 10.227 -1.000 1.00 0.75 C ATOM 1899 C ASP A 119 12.423 11.701 -1.072 1.00 0.74 C ATOM 1900 O ASP A 119 13.304 12.078 -1.846 1.00 0.83 O ATOM 1901 CB ASP A 119 10.686 9.992 -1.685 1.00 0.94 C ATOM 1902 CG ASP A 119 9.502 10.563 -0.910 1.00 1.34 C ATOM 1903 OD1 ASP A 119 8.476 10.923 -1.540 1.00 1.75 O ATOM 1904 OD2 ASP A 119 9.618 10.718 0.320 1.00 1.81 O ATOM 0 H ASP A 119 11.040 9.617 0.731 1.00 0.66 H new ATOM 0 HA ASP A 119 12.808 9.658 -1.523 1.00 0.75 H new ATOM 0 HB2 ASP A 119 10.709 10.439 -2.679 1.00 0.94 H new ATOM 0 HB3 ASP A 119 10.538 8.921 -1.821 1.00 0.94 H new ATOM 1909 N ARG A 120 11.769 12.523 -0.253 1.00 0.76 N ATOM 1910 CA ARG A 120 12.063 13.961 -0.183 1.00 0.89 C ATOM 1911 C ARG A 120 13.533 14.220 0.138 1.00 0.83 C ATOM 1912 O ARG A 120 14.059 15.299 -0.142 1.00 1.00 O ATOM 1913 CB ARG A 120 11.182 14.654 0.862 1.00 1.07 C ATOM 1914 CG ARG A 120 11.319 16.172 0.845 1.00 1.50 C ATOM 1915 CD ARG A 120 10.373 16.848 1.824 1.00 1.71 C ATOM 1916 NE ARG A 120 10.770 16.666 3.221 1.00 2.15 N ATOM 1917 CZ ARG A 120 9.906 16.636 4.238 1.00 2.66 C ATOM 1918 NH1 ARG A 120 8.600 16.614 4.000 1.00 2.90 N ATOM 1919 NH2 ARG A 120 10.348 16.591 5.489 1.00 3.38 N ATOM 0 H ARG A 120 11.027 12.219 0.377 1.00 0.76 H new ATOM 0 HA ARG A 120 11.844 14.377 -1.167 1.00 0.89 H new ATOM 0 HB2 ARG A 120 10.140 14.387 0.685 1.00 1.07 H new ATOM 0 HB3 ARG A 120 11.443 14.282 1.853 1.00 1.07 H new ATOM 0 HG2 ARG A 120 12.346 16.445 1.089 1.00 1.50 H new ATOM 0 HG3 ARG A 120 11.121 16.541 -0.161 1.00 1.50 H new ATOM 0 HD2 ARG A 120 10.329 17.914 1.601 1.00 1.71 H new ATOM 0 HD3 ARG A 120 9.368 16.451 1.683 1.00 1.71 H new ATOM 0 HE ARG A 120 11.762 16.556 3.429 1.00 2.15 H new ATOM 0 HH11 ARG A 120 8.256 16.620 3.040 1.00 2.90 H new ATOM 0 HH12 ARG A 120 7.940 16.591 4.778 1.00 2.90 H new ATOM 0 HH21 ARG A 120 11.351 16.579 5.675 1.00 3.38 H new ATOM 0 HH22 ARG A 120 9.685 16.568 6.264 1.00 3.38 H new ATOM 1933 N MET A 121 14.203 13.231 0.724 1.00 0.73 N ATOM 1934 CA MET A 121 15.610 13.373 1.072 1.00 0.91 C ATOM 1935 C MET A 121 16.478 13.340 -0.191 1.00 1.12 C ATOM 1936 O MET A 121 17.701 13.473 -0.123 1.00 1.41 O ATOM 1937 CB MET A 121 16.036 12.283 2.057 1.00 1.05 C ATOM 1938 CG MET A 121 17.287 12.639 2.845 1.00 1.28 C ATOM 1939 SD MET A 121 17.086 14.143 3.824 1.00 2.15 S ATOM 1940 CE MET A 121 15.733 13.669 4.904 1.00 2.43 C ATOM 0 H MET A 121 13.795 12.328 0.966 1.00 0.73 H new ATOM 0 HA MET A 121 15.751 14.338 1.558 1.00 0.91 H new ATOM 0 HB2 MET A 121 15.219 12.092 2.753 1.00 1.05 H new ATOM 0 HB3 MET A 121 16.211 11.357 1.510 1.00 1.05 H new ATOM 0 HG2 MET A 121 17.543 11.811 3.506 1.00 1.28 H new ATOM 0 HG3 MET A 121 18.122 12.767 2.156 1.00 1.28 H new ATOM 0 HE1 MET A 121 15.699 14.341 5.761 1.00 2.43 H new ATOM 0 HE2 MET A 121 14.792 13.730 4.357 1.00 2.43 H new ATOM 0 HE3 MET A 121 15.885 12.647 5.251 1.00 2.43 H new ATOM 1950 N GLY A 122 15.826 13.121 -1.331 1.00 1.18 N ATOM 1951 CA GLY A 122 16.444 13.329 -2.627 1.00 1.61 C ATOM 1952 C GLY A 122 17.644 12.451 -2.913 1.00 1.21 C ATOM 1953 O GLY A 122 17.871 11.442 -2.242 1.00 1.30 O ATOM 0 H GLY A 122 14.860 12.796 -1.377 1.00 1.18 H new ATOM 0 HA2 GLY A 122 15.696 13.159 -3.401 1.00 1.61 H new ATOM 0 HA3 GLY A 122 16.750 14.372 -2.703 1.00 1.61 H new ATOM 1957 N THR A 123 18.390 12.861 -3.938 1.00 1.27 N ATOM 1958 CA THR A 123 19.583 12.165 -4.423 1.00 1.42 C ATOM 1959 C THR A 123 19.428 10.641 -4.425 1.00 1.27 C ATOM 1960 O THR A 123 18.566 10.094 -5.120 1.00 1.24 O ATOM 1961 CB THR A 123 20.856 12.572 -3.642 1.00 1.94 C ATOM 1962 OG1 THR A 123 20.692 12.353 -2.232 1.00 2.44 O ATOM 1963 CG2 THR A 123 21.197 14.033 -3.892 1.00 2.58 C ATOM 0 H THR A 123 18.177 13.706 -4.467 1.00 1.27 H new ATOM 0 HA THR A 123 19.699 12.483 -5.459 1.00 1.42 H new ATOM 0 HB THR A 123 21.673 11.946 -4.001 1.00 1.94 H new ATOM 0 HG1 THR A 123 21.511 12.617 -1.763 1.00 2.44 H new ATOM 0 HG21 THR A 123 22.095 14.298 -3.334 1.00 2.58 H new ATOM 0 HG22 THR A 123 21.373 14.189 -4.956 1.00 2.58 H new ATOM 0 HG23 THR A 123 20.368 14.661 -3.565 1.00 2.58 H new ATOM 1971 N LYS A 124 20.241 9.968 -3.616 1.00 1.28 N ATOM 1972 CA LYS A 124 20.295 8.514 -3.604 1.00 1.24 C ATOM 1973 C LYS A 124 19.018 7.922 -3.033 1.00 1.05 C ATOM 1974 O LYS A 124 18.649 6.795 -3.359 1.00 1.04 O ATOM 1975 CB LYS A 124 21.491 8.039 -2.778 1.00 1.43 C ATOM 1976 CG LYS A 124 22.830 8.506 -3.317 1.00 2.04 C ATOM 1977 CD LYS A 124 23.956 8.155 -2.360 1.00 2.45 C ATOM 1978 CE LYS A 124 25.306 8.604 -2.894 1.00 3.14 C ATOM 1979 NZ LYS A 124 26.392 8.407 -1.897 1.00 3.80 N ATOM 0 H LYS A 124 20.877 10.414 -2.955 1.00 1.28 H new ATOM 0 HA LYS A 124 20.404 8.175 -4.634 1.00 1.24 H new ATOM 0 HB2 LYS A 124 21.378 8.395 -1.754 1.00 1.43 H new ATOM 0 HB3 LYS A 124 21.485 6.950 -2.740 1.00 1.43 H new ATOM 0 HG2 LYS A 124 23.016 8.045 -4.287 1.00 2.04 H new ATOM 0 HG3 LYS A 124 22.806 9.584 -3.476 1.00 2.04 H new ATOM 0 HD2 LYS A 124 23.772 8.624 -1.394 1.00 2.45 H new ATOM 0 HD3 LYS A 124 23.970 7.078 -2.194 1.00 2.45 H new ATOM 0 HE2 LYS A 124 25.541 8.047 -3.801 1.00 3.14 H new ATOM 0 HE3 LYS A 124 25.255 9.657 -3.171 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 27.296 8.726 -2.301 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 26.182 8.959 -1.041 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 26.459 7.399 -1.651 1.00 3.80 H new ATOM 1993 N HIS A 125 18.332 8.695 -2.202 1.00 0.96 N ATOM 1994 CA HIS A 125 17.151 8.201 -1.517 1.00 0.85 C ATOM 1995 C HIS A 125 16.014 7.967 -2.507 1.00 0.76 C ATOM 1996 O HIS A 125 15.474 6.864 -2.605 1.00 0.76 O ATOM 1997 CB HIS A 125 16.715 9.190 -0.437 1.00 0.85 C ATOM 1998 CG HIS A 125 17.669 9.311 0.714 1.00 1.23 C ATOM 1999 ND1 HIS A 125 17.378 8.849 1.981 1.00 1.80 N ATOM 2000 CD2 HIS A 125 18.903 9.863 0.792 1.00 1.80 C ATOM 2001 CE1 HIS A 125 18.390 9.113 2.786 1.00 2.14 C ATOM 2002 NE2 HIS A 125 19.327 9.727 2.091 1.00 2.12 N ATOM 0 H HIS A 125 18.574 9.663 -1.988 1.00 0.96 H new ATOM 0 HA HIS A 125 17.399 7.250 -1.045 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.587 10.172 -0.892 1.00 0.85 H new ATOM 0 HB3 HIS A 125 15.741 8.886 -0.055 1.00 0.85 H new ATOM 0 HD2 HIS A 125 19.451 10.324 -0.016 1.00 1.80 H new ATOM 0 HE1 HIS A 125 18.442 8.868 3.836 1.00 2.14 H new ATOM 0 HE2 HIS A 125 20.222 10.049 2.459 1.00 2.12 H new ATOM 2011 N ALA A 126 15.690 8.996 -3.278 1.00 0.77 N ATOM 2012 CA ALA A 126 14.638 8.896 -4.280 1.00 0.80 C ATOM 2013 C ALA A 126 15.100 8.014 -5.435 1.00 0.86 C ATOM 2014 O ALA A 126 14.292 7.391 -6.129 1.00 0.92 O ATOM 2015 CB ALA A 126 14.253 10.282 -4.778 1.00 0.92 C ATOM 0 H ALA A 126 16.141 9.910 -3.229 1.00 0.77 H new ATOM 0 HA ALA A 126 13.758 8.439 -3.828 1.00 0.80 H new ATOM 0 HB1 ALA A 126 13.466 10.194 -5.527 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.893 10.882 -3.942 1.00 0.92 H new ATOM 0 HB3 ALA A 126 15.124 10.764 -5.222 1.00 0.92 H new ATOM 2021 N LYS A 127 16.413 7.966 -5.616 1.00 0.92 N ATOM 2022 CA LYS A 127 17.038 7.153 -6.651 1.00 1.05 C ATOM 2023 C LYS A 127 16.762 5.666 -6.434 1.00 0.97 C ATOM 2024 O LYS A 127 16.409 4.951 -7.365 1.00 1.04 O ATOM 2025 CB LYS A 127 18.544 7.414 -6.653 1.00 1.26 C ATOM 2026 CG LYS A 127 19.322 6.646 -7.706 1.00 1.55 C ATOM 2027 CD LYS A 127 20.807 6.936 -7.587 1.00 1.93 C ATOM 2028 CE LYS A 127 21.620 6.206 -8.639 1.00 2.38 C ATOM 2029 NZ LYS A 127 23.063 6.534 -8.524 1.00 2.83 N ATOM 0 H LYS A 127 17.077 8.492 -5.047 1.00 0.92 H new ATOM 0 HA LYS A 127 16.612 7.430 -7.615 1.00 1.05 H new ATOM 0 HB2 LYS A 127 18.713 8.480 -6.802 1.00 1.26 H new ATOM 0 HB3 LYS A 127 18.943 7.162 -5.671 1.00 1.26 H new ATOM 0 HG2 LYS A 127 19.144 5.577 -7.590 1.00 1.55 H new ATOM 0 HG3 LYS A 127 18.970 6.922 -8.700 1.00 1.55 H new ATOM 0 HD2 LYS A 127 20.974 8.009 -7.681 1.00 1.93 H new ATOM 0 HD3 LYS A 127 21.154 6.645 -6.596 1.00 1.93 H new ATOM 0 HE2 LYS A 127 21.479 5.131 -8.530 1.00 2.38 H new ATOM 0 HE3 LYS A 127 21.261 6.476 -9.632 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 23.595 6.021 -9.256 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 23.198 7.557 -8.652 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 23.409 6.254 -7.584 1.00 2.83 H new ATOM 2043 N ARG A 128 16.929 5.197 -5.207 1.00 0.94 N ATOM 2044 CA ARG A 128 16.719 3.785 -4.912 1.00 1.00 C ATOM 2045 C ARG A 128 15.229 3.450 -4.791 1.00 0.97 C ATOM 2046 O ARG A 128 14.816 2.325 -5.078 1.00 1.09 O ATOM 2047 CB ARG A 128 17.494 3.373 -3.651 1.00 1.14 C ATOM 2048 CG ARG A 128 17.063 4.083 -2.380 1.00 1.11 C ATOM 2049 CD ARG A 128 18.243 4.324 -1.448 1.00 1.34 C ATOM 2050 NE ARG A 128 18.907 3.089 -1.023 1.00 1.59 N ATOM 2051 CZ ARG A 128 19.461 2.921 0.180 1.00 1.95 C ATOM 2052 NH1 ARG A 128 19.433 3.906 1.067 1.00 2.14 N ATOM 2053 NH2 ARG A 128 20.064 1.780 0.488 1.00 2.59 N ATOM 0 H ARG A 128 17.206 5.765 -4.406 1.00 0.94 H new ATOM 0 HA ARG A 128 17.108 3.206 -5.750 1.00 1.00 H new ATOM 0 HB2 ARG A 128 17.381 2.299 -3.507 1.00 1.14 H new ATOM 0 HB3 ARG A 128 18.555 3.563 -3.815 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.598 5.036 -2.634 1.00 1.11 H new ATOM 0 HG3 ARG A 128 16.308 3.487 -1.867 1.00 1.11 H new ATOM 0 HD2 ARG A 128 18.969 4.964 -1.950 1.00 1.34 H new ATOM 0 HD3 ARG A 128 17.897 4.864 -0.567 1.00 1.34 H new ATOM 0 HE ARG A 128 18.948 2.313 -1.684 1.00 1.59 H new ATOM 0 HH11 ARG A 128 18.988 4.793 0.830 1.00 2.14 H new ATOM 0 HH12 ARG A 128 19.856 3.777 1.986 1.00 2.14 H new ATOM 0 HH21 ARG A 128 20.106 1.025 -0.196 1.00 2.59 H new ATOM 0 HH22 ARG A 128 20.485 1.658 1.409 1.00 2.59 H new ATOM 2067 N VAL A 129 14.418 4.425 -4.381 1.00 0.91 N ATOM 2068 CA VAL A 129 12.976 4.206 -4.231 1.00 1.04 C ATOM 2069 C VAL A 129 12.259 4.103 -5.588 1.00 1.04 C ATOM 2070 O VAL A 129 11.270 3.374 -5.718 1.00 1.19 O ATOM 2071 CB VAL A 129 12.315 5.314 -3.372 1.00 1.16 C ATOM 2072 CG1 VAL A 129 10.807 5.114 -3.281 1.00 1.43 C ATOM 2073 CG2 VAL A 129 12.920 5.339 -1.976 1.00 1.48 C ATOM 0 H VAL A 129 14.730 5.368 -4.148 1.00 0.91 H new ATOM 0 HA VAL A 129 12.867 3.252 -3.716 1.00 1.04 H new ATOM 0 HB VAL A 129 12.506 6.270 -3.859 1.00 1.16 H new ATOM 0 HG11 VAL A 129 10.371 5.906 -2.672 1.00 1.43 H new ATOM 0 HG12 VAL A 129 10.375 5.145 -4.281 1.00 1.43 H new ATOM 0 HG13 VAL A 129 10.595 4.147 -2.824 1.00 1.43 H new ATOM 0 HG21 VAL A 129 12.444 6.123 -1.387 1.00 1.48 H new ATOM 0 HG22 VAL A 129 12.761 4.375 -1.493 1.00 1.48 H new ATOM 0 HG23 VAL A 129 13.990 5.537 -2.046 1.00 1.48 H new ATOM 2083 N ARG A 130 12.772 4.801 -6.600 1.00 0.99 N ATOM 2084 CA ARG A 130 12.126 4.833 -7.920 1.00 1.14 C ATOM 2085 C ARG A 130 12.011 3.428 -8.528 1.00 1.05 C ATOM 2086 O ARG A 130 11.080 3.140 -9.272 1.00 1.24 O ATOM 2087 CB ARG A 130 12.909 5.745 -8.874 1.00 1.30 C ATOM 2088 CG ARG A 130 14.236 5.155 -9.321 1.00 1.75 C ATOM 2089 CD ARG A 130 15.069 6.140 -10.123 1.00 1.86 C ATOM 2090 NE ARG A 130 16.326 5.536 -10.565 1.00 2.36 N ATOM 2091 CZ ARG A 130 17.405 6.228 -10.931 1.00 2.92 C ATOM 2092 NH1 ARG A 130 17.407 7.553 -10.858 1.00 3.04 N ATOM 2093 NH2 ARG A 130 18.494 5.591 -11.338 1.00 3.83 N ATOM 0 H ARG A 130 13.629 5.351 -6.536 1.00 0.99 H new ATOM 0 HA ARG A 130 11.119 5.227 -7.782 1.00 1.14 H new ATOM 0 HB2 ARG A 130 12.297 5.950 -9.752 1.00 1.30 H new ATOM 0 HB3 ARG A 130 13.092 6.701 -8.383 1.00 1.30 H new ATOM 0 HG2 ARG A 130 14.801 4.835 -8.446 1.00 1.75 H new ATOM 0 HG3 ARG A 130 14.050 4.266 -9.924 1.00 1.75 H new ATOM 0 HD2 ARG A 130 14.501 6.479 -10.990 1.00 1.86 H new ATOM 0 HD3 ARG A 130 15.280 7.020 -9.516 1.00 1.86 H new ATOM 0 HE ARG A 130 16.380 4.518 -10.595 1.00 2.36 H new ATOM 0 HH11 ARG A 130 16.580 8.046 -10.521 1.00 3.04 H new ATOM 0 HH12 ARG A 130 18.235 8.078 -11.139 1.00 3.04 H new ATOM 0 HH21 ARG A 130 18.506 4.572 -11.371 1.00 3.83 H new ATOM 0 HH22 ARG A 130 19.320 6.120 -11.618 1.00 3.83 H new ATOM 2107 N ASN A 131 12.956 2.558 -8.186 1.00 0.85 N ATOM 2108 CA ASN A 131 13.013 1.198 -8.735 1.00 0.88 C ATOM 2109 C ASN A 131 11.815 0.348 -8.313 1.00 1.08 C ATOM 2110 O ASN A 131 11.500 -0.657 -8.949 1.00 1.24 O ATOM 2111 CB ASN A 131 14.293 0.490 -8.270 1.00 0.88 C ATOM 2112 CG ASN A 131 15.531 0.877 -9.044 1.00 1.70 C ATOM 2113 OD1 ASN A 131 15.616 1.959 -9.621 1.00 2.48 O ATOM 2114 ND2 ASN A 131 16.516 -0.010 -9.025 1.00 2.04 N ATOM 0 H ASN A 131 13.703 2.770 -7.524 1.00 0.85 H new ATOM 0 HA ASN A 131 13.000 1.301 -9.820 1.00 0.88 H new ATOM 0 HB2 ASN A 131 14.454 0.711 -7.215 1.00 0.88 H new ATOM 0 HB3 ASN A 131 14.149 -0.587 -8.352 1.00 0.88 H new ATOM 0 HD21 ASN A 131 17.394 0.192 -9.504 1.00 2.04 H new ATOM 0 HD22 ASN A 131 16.396 -0.895 -8.532 1.00 2.04 H new ATOM 2121 N GLY A 132 11.156 0.736 -7.230 1.00 1.23 N ATOM 2122 CA GLY A 132 10.237 -0.176 -6.575 1.00 1.61 C ATOM 2123 C GLY A 132 8.787 0.003 -6.957 1.00 1.21 C ATOM 2124 O GLY A 132 8.215 -0.839 -7.641 1.00 1.24 O ATOM 0 H GLY A 132 11.239 1.655 -6.796 1.00 1.23 H new ATOM 0 HA2 GLY A 132 10.535 -1.199 -6.806 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.332 -0.052 -5.496 1.00 1.61 H new ATOM 2128 N MET A 133 8.181 1.079 -6.490 1.00 1.24 N ATOM 2129 CA MET A 133 6.741 1.243 -6.614 1.00 1.38 C ATOM 2130 C MET A 133 6.328 1.746 -7.997 1.00 1.35 C ATOM 2131 O MET A 133 5.142 1.751 -8.320 1.00 1.56 O ATOM 2132 CB MET A 133 6.200 2.165 -5.517 1.00 2.06 C ATOM 2133 CG MET A 133 6.729 3.590 -5.562 1.00 2.92 C ATOM 2134 SD MET A 133 6.171 4.563 -4.149 1.00 3.99 S ATOM 2135 CE MET A 133 6.888 6.157 -4.529 1.00 4.83 C ATOM 0 H MET A 133 8.659 1.850 -6.023 1.00 1.24 H new ATOM 0 HA MET A 133 6.298 0.255 -6.489 1.00 1.38 H new ATOM 0 HB2 MET A 133 5.113 2.194 -5.590 1.00 2.06 H new ATOM 0 HB3 MET A 133 6.443 1.733 -4.546 1.00 2.06 H new ATOM 0 HG2 MET A 133 7.819 3.572 -5.582 1.00 2.92 H new ATOM 0 HG3 MET A 133 6.401 4.069 -6.484 1.00 2.92 H new ATOM 0 HE1 MET A 133 6.753 6.828 -3.681 1.00 4.83 H new ATOM 0 HE2 MET A 133 7.952 6.038 -4.732 1.00 4.83 H new ATOM 0 HE3 MET A 133 6.396 6.577 -5.406 1.00 4.83 H new ATOM 2145 N ASP A 134 7.303 2.147 -8.808 1.00 1.38 N ATOM 2146 CA ASP A 134 7.030 2.787 -10.098 1.00 1.84 C ATOM 2147 C ASP A 134 6.115 1.942 -10.986 1.00 1.95 C ATOM 2148 O ASP A 134 5.113 2.439 -11.509 1.00 2.41 O ATOM 2149 CB ASP A 134 8.336 3.062 -10.844 1.00 2.05 C ATOM 2150 CG ASP A 134 8.108 3.759 -12.168 1.00 2.29 C ATOM 2151 OD1 ASP A 134 8.081 5.006 -12.194 1.00 2.83 O ATOM 2152 OD2 ASP A 134 7.958 3.059 -13.195 1.00 2.28 O ATOM 0 H ASP A 134 8.295 2.041 -8.596 1.00 1.38 H new ATOM 0 HA ASP A 134 6.518 3.724 -9.880 1.00 1.84 H new ATOM 0 HB2 ASP A 134 8.985 3.676 -10.220 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.858 2.121 -11.017 1.00 2.05 H new ATOM 2157 N LYS A 135 6.449 0.670 -11.143 1.00 1.70 N ATOM 2158 CA LYS A 135 5.696 -0.216 -12.026 1.00 2.03 C ATOM 2159 C LYS A 135 4.670 -1.042 -11.263 1.00 1.70 C ATOM 2160 O LYS A 135 4.235 -2.093 -11.732 1.00 2.17 O ATOM 2161 CB LYS A 135 6.647 -1.143 -12.783 1.00 2.40 C ATOM 2162 CG LYS A 135 7.463 -0.436 -13.853 1.00 3.08 C ATOM 2163 CD LYS A 135 6.569 0.189 -14.914 1.00 3.44 C ATOM 2164 CE LYS A 135 5.727 -0.855 -15.636 1.00 3.61 C ATOM 2165 NZ LYS A 135 6.569 -1.839 -16.371 1.00 4.15 N ATOM 0 H LYS A 135 7.237 0.225 -10.671 1.00 1.70 H new ATOM 0 HA LYS A 135 5.158 0.413 -12.735 1.00 2.03 H new ATOM 0 HB2 LYS A 135 7.326 -1.613 -12.071 1.00 2.40 H new ATOM 0 HB3 LYS A 135 6.069 -1.942 -13.247 1.00 2.40 H new ATOM 0 HG2 LYS A 135 8.077 0.337 -13.392 1.00 3.08 H new ATOM 0 HG3 LYS A 135 8.144 -1.147 -14.322 1.00 3.08 H new ATOM 0 HD2 LYS A 135 5.914 0.925 -14.448 1.00 3.44 H new ATOM 0 HD3 LYS A 135 7.184 0.723 -15.638 1.00 3.44 H new ATOM 0 HE2 LYS A 135 5.103 -1.380 -14.913 1.00 3.61 H new ATOM 0 HE3 LYS A 135 5.055 -0.358 -16.336 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 5.963 -2.436 -16.969 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 7.253 -1.333 -16.968 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 7.080 -2.436 -15.690 1.00 4.15 H new ATOM 2179 N GLY A 136 4.265 -0.563 -10.100 1.00 1.04 N ATOM 2180 CA GLY A 136 3.299 -1.300 -9.319 1.00 0.79 C ATOM 2181 C GLY A 136 2.266 -0.413 -8.663 1.00 0.65 C ATOM 2182 O GLY A 136 1.078 -0.576 -8.902 1.00 0.57 O ATOM 0 H GLY A 136 4.584 0.313 -9.686 1.00 1.04 H new ATOM 0 HA2 GLY A 136 2.794 -2.021 -9.962 1.00 0.79 H new ATOM 0 HA3 GLY A 136 3.821 -1.870 -8.550 1.00 0.79 H new ATOM 2186 N TRP A 137 2.727 0.549 -7.877 1.00 0.68 N ATOM 2187 CA TRP A 137 1.854 1.355 -7.022 1.00 0.67 C ATOM 2188 C TRP A 137 0.723 2.039 -7.811 1.00 0.57 C ATOM 2189 O TRP A 137 -0.446 1.882 -7.457 1.00 0.56 O ATOM 2190 CB TRP A 137 2.688 2.387 -6.257 1.00 0.81 C ATOM 2191 CG TRP A 137 1.930 3.129 -5.198 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.633 4.460 -5.186 1.00 1.62 C ATOM 2193 CD2 TRP A 137 1.377 2.582 -3.994 1.00 0.93 C ATOM 2194 NE1 TRP A 137 0.937 4.778 -4.043 1.00 1.62 N ATOM 2195 CE2 TRP A 137 0.766 3.639 -3.297 1.00 0.98 C ATOM 2196 CE3 TRP A 137 1.343 1.299 -3.439 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 0.126 3.454 -2.074 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 0.706 1.117 -2.226 1.00 2.78 C ATOM 2199 CH2 TRP A 137 0.107 2.189 -1.554 1.00 2.32 C ATOM 0 H TRP A 137 3.714 0.796 -7.811 1.00 0.68 H new ATOM 0 HA TRP A 137 1.372 0.682 -6.313 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.535 1.881 -5.794 1.00 0.81 H new ATOM 0 HB3 TRP A 137 3.095 3.106 -6.967 1.00 0.81 H new ATOM 0 HD1 TRP A 137 1.905 5.162 -5.961 1.00 1.62 H new ATOM 0 HE1 TRP A 137 0.603 5.708 -3.791 1.00 1.62 H new ATOM 0 HE3 TRP A 137 1.806 0.466 -3.948 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 -0.338 4.279 -1.555 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 0.670 0.130 -1.789 1.00 2.78 H new ATOM 0 HH2 TRP A 137 -0.380 2.014 -0.606 1.00 2.32 H new ATOM 2210 N PRO A 138 1.028 2.799 -8.893 1.00 0.58 N ATOM 2211 CA PRO A 138 -0.013 3.448 -9.702 1.00 0.61 C ATOM 2212 C PRO A 138 -0.994 2.441 -10.303 1.00 0.58 C ATOM 2213 O PRO A 138 -2.205 2.672 -10.316 1.00 0.64 O ATOM 2214 CB PRO A 138 0.768 4.165 -10.812 1.00 0.68 C ATOM 2215 CG PRO A 138 2.118 3.532 -10.818 1.00 0.66 C ATOM 2216 CD PRO A 138 2.377 3.106 -9.403 1.00 0.63 C ATOM 0 HA PRO A 138 -0.625 4.121 -9.101 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.275 4.049 -11.777 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.837 5.235 -10.616 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.146 2.678 -11.495 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.878 4.235 -11.160 1.00 0.66 H new ATOM 0 HD2 PRO A 138 3.033 2.236 -9.358 1.00 0.63 H new ATOM 0 HD3 PRO A 138 2.856 3.897 -8.825 1.00 0.63 H new ATOM 2224 N THR A 139 -0.467 1.315 -10.771 1.00 0.57 N ATOM 2225 CA THR A 139 -1.282 0.277 -11.380 1.00 0.62 C ATOM 2226 C THR A 139 -2.161 -0.396 -10.322 1.00 0.54 C ATOM 2227 O THR A 139 -3.337 -0.709 -10.560 1.00 0.55 O ATOM 2228 CB THR A 139 -0.377 -0.767 -12.070 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.501 -0.108 -12.994 1.00 0.81 O ATOM 2230 CG2 THR A 139 -1.195 -1.818 -12.803 1.00 0.87 C ATOM 0 H THR A 139 0.529 1.099 -10.738 1.00 0.57 H new ATOM 0 HA THR A 139 -1.930 0.731 -12.130 1.00 0.62 H new ATOM 0 HB THR A 139 0.205 -1.271 -11.298 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.076 -0.772 -13.429 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.525 -2.536 -13.276 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.840 -2.337 -12.094 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.807 -1.336 -13.565 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.584 -0.578 -9.139 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.295 -1.156 -8.017 1.00 0.47 C ATOM 2240 C ILE A 140 -3.509 -0.318 -7.658 1.00 0.42 C ATOM 2241 O ILE A 140 -4.579 -0.860 -7.420 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.379 -1.314 -6.777 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.322 -2.395 -7.034 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.199 -1.643 -5.535 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.540 -2.720 -5.834 1.00 0.72 C ATOM 0 H ILE A 140 -0.616 -0.329 -8.937 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.625 -2.149 -8.323 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.870 -0.366 -6.600 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.823 -3.305 -7.364 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.321 -2.070 -7.852 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.534 -1.749 -4.678 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.910 -0.839 -5.345 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.740 -2.576 -5.693 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.260 -3.493 -6.102 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.072 -1.824 -5.515 1.00 0.72 H new ATOM 0 HD13 ILE A 140 -0.090 -3.078 -5.020 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.351 0.999 -7.666 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.426 1.902 -7.268 1.00 0.36 C ATOM 2259 C LEU A 141 -5.638 1.787 -8.191 1.00 0.38 C ATOM 2260 O LEU A 141 -6.768 2.051 -7.776 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.920 3.344 -7.234 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.765 3.593 -6.265 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.387 5.067 -6.257 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.132 3.114 -4.864 1.00 0.56 C ATOM 0 H LEU A 141 -2.489 1.467 -7.944 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.747 1.610 -6.268 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.602 3.627 -8.237 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.749 3.999 -6.966 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.898 3.023 -6.600 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.563 5.228 -5.562 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.081 5.370 -7.258 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.246 5.661 -5.945 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.298 3.299 -4.186 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -4.011 3.654 -4.513 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.349 2.046 -4.890 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.409 1.389 -9.435 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.506 1.167 -10.371 1.00 0.48 C ATOM 2278 C GLN A 142 -7.240 -0.123 -10.031 1.00 0.47 C ATOM 2279 O GLN A 142 -8.453 -0.116 -9.819 1.00 0.48 O ATOM 2280 CB GLN A 142 -6.002 1.131 -11.817 1.00 0.58 C ATOM 2281 CG GLN A 142 -6.214 2.431 -12.579 1.00 0.88 C ATOM 2282 CD GLN A 142 -5.519 3.616 -11.938 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -4.368 3.913 -12.249 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -6.220 4.304 -11.048 1.00 0.77 N ATOM 0 H GLN A 142 -4.480 1.214 -9.819 1.00 0.43 H new ATOM 0 HA GLN A 142 -7.201 2.001 -10.279 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.938 0.893 -11.814 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.508 0.324 -12.347 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -5.849 2.311 -13.599 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -7.282 2.636 -12.645 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -7.173 4.021 -10.820 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -5.806 5.117 -10.591 1.00 0.77 H new ATOM 2293 N SER A 143 -6.499 -1.223 -9.954 1.00 0.49 N ATOM 2294 CA SER A 143 -7.079 -2.506 -9.570 1.00 0.53 C ATOM 2295 C SER A 143 -7.655 -2.434 -8.156 1.00 0.45 C ATOM 2296 O SER A 143 -8.591 -3.154 -7.814 1.00 0.46 O ATOM 2297 CB SER A 143 -6.013 -3.589 -9.656 1.00 0.64 C ATOM 2298 OG SER A 143 -5.377 -3.567 -10.922 1.00 1.15 O ATOM 0 H SER A 143 -5.499 -1.253 -10.152 1.00 0.49 H new ATOM 0 HA SER A 143 -7.893 -2.748 -10.253 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.273 -3.441 -8.869 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.466 -4.566 -9.488 1.00 0.64 H new ATOM 0 HG SER A 143 -5.947 -4.014 -11.582 1.00 1.15 H new ATOM 2304 N PHE A 144 -7.082 -1.550 -7.352 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.543 -1.306 -5.997 1.00 0.36 C ATOM 2306 C PHE A 144 -8.981 -0.775 -6.007 1.00 0.32 C ATOM 2307 O PHE A 144 -9.872 -1.357 -5.390 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.602 -0.301 -5.321 1.00 0.35 C ATOM 2309 CG PHE A 144 -7.051 0.184 -3.974 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -7.178 -0.693 -2.913 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.326 1.527 -3.768 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.573 -0.240 -1.670 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.724 1.985 -2.529 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.846 1.100 -1.477 1.00 0.78 C ATOM 0 H PHE A 144 -6.281 -0.980 -7.624 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.535 -2.241 -5.437 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.619 -0.761 -5.215 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.482 0.560 -5.979 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.966 -1.742 -3.058 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.227 2.223 -4.588 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.669 -0.934 -0.848 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -7.939 3.033 -2.383 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.154 1.455 -0.505 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.199 0.315 -6.747 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.526 0.922 -6.874 1.00 0.31 C ATOM 2326 C GLN A 145 -11.497 -0.038 -7.536 1.00 0.35 C ATOM 2327 O GLN A 145 -12.685 -0.072 -7.212 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.443 2.204 -7.699 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.790 3.348 -6.960 1.00 0.41 C ATOM 2330 CD GLN A 145 -9.403 4.491 -7.875 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -10.176 5.422 -8.092 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -8.201 4.424 -8.423 1.00 0.66 N ATOM 0 H GLN A 145 -8.468 0.798 -7.270 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.887 1.155 -5.872 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.884 2.004 -8.613 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.448 2.501 -7.999 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.472 3.717 -6.194 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.901 2.983 -6.446 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.590 3.634 -8.217 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.885 5.162 -9.052 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.966 -0.815 -8.459 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.753 -1.766 -9.225 1.00 0.43 C ATOM 2343 C ASP A 146 -12.287 -2.865 -8.318 1.00 0.40 C ATOM 2344 O ASP A 146 -13.465 -3.221 -8.379 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.894 -2.369 -10.338 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.679 -3.276 -11.258 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -12.073 -2.824 -12.354 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -11.901 -4.444 -10.894 1.00 1.46 O ATOM 0 H ASP A 146 -9.975 -0.806 -8.701 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.601 -1.246 -9.671 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.448 -1.564 -10.923 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -10.074 -2.932 -9.893 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.416 -3.375 -7.458 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.787 -4.425 -6.523 1.00 0.51 C ATOM 2355 C LYS A 147 -12.744 -3.889 -5.462 1.00 0.48 C ATOM 2356 O LYS A 147 -13.608 -4.611 -4.971 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.534 -5.017 -5.866 1.00 0.64 C ATOM 2358 CG LYS A 147 -10.828 -6.172 -4.922 1.00 0.92 C ATOM 2359 CD LYS A 147 -11.573 -7.290 -5.635 1.00 1.03 C ATOM 2360 CE LYS A 147 -11.991 -8.393 -4.677 1.00 1.25 C ATOM 2361 NZ LYS A 147 -12.871 -7.888 -3.591 1.00 1.74 N ATOM 0 H LYS A 147 -10.443 -3.076 -7.390 1.00 0.42 H new ATOM 0 HA LYS A 147 -12.298 -5.214 -7.075 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.853 -5.360 -6.645 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -10.017 -4.231 -5.315 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -9.894 -6.557 -4.513 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -11.422 -5.815 -4.080 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -12.456 -6.882 -6.126 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -10.938 -7.709 -6.416 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -12.511 -9.175 -5.230 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -11.102 -8.849 -4.240 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -13.254 -8.691 -3.053 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -12.321 -7.276 -2.955 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -13.654 -7.343 -4.004 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.594 -2.614 -5.121 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.472 -1.980 -4.150 1.00 0.40 C ATOM 2377 C ILE A 148 -14.860 -1.773 -4.743 1.00 0.42 C ATOM 2378 O ILE A 148 -15.872 -1.920 -4.061 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.900 -0.627 -3.669 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.626 -0.854 -2.858 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -13.927 0.134 -2.840 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.024 0.417 -2.310 1.00 0.37 C ATOM 0 H ILE A 148 -11.873 -2.002 -5.503 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.544 -2.644 -3.289 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.659 -0.025 -4.545 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -11.847 -1.528 -2.030 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -10.889 -1.353 -3.487 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.500 1.082 -2.513 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.814 0.324 -3.444 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.203 -0.459 -1.968 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.123 0.179 -1.745 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.770 1.084 -3.134 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.744 0.907 -1.654 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.903 -1.456 -6.029 1.00 0.41 N ATOM 2395 CA ASP A 149 -16.171 -1.257 -6.714 1.00 0.49 C ATOM 2396 C ASP A 149 -16.933 -2.574 -6.775 1.00 0.55 C ATOM 2397 O ASP A 149 -18.161 -2.593 -6.767 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.950 -0.721 -8.125 1.00 0.54 C ATOM 2399 CG ASP A 149 -17.176 -0.016 -8.685 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -18.300 -0.355 -8.258 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -17.031 0.853 -9.569 1.00 0.77 O ATOM 0 H ASP A 149 -14.078 -1.332 -6.616 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.753 -0.523 -6.156 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -15.109 -0.028 -8.118 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -15.678 -1.546 -8.784 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.187 -3.677 -6.796 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.780 -5.008 -6.819 1.00 0.68 C ATOM 2408 C GLU A 150 -17.628 -5.229 -5.580 1.00 0.75 C ATOM 2409 O GLU A 150 -18.599 -5.986 -5.590 1.00 0.89 O ATOM 2410 CB GLU A 150 -15.703 -6.087 -6.867 1.00 0.76 C ATOM 2411 CG GLU A 150 -14.991 -6.207 -8.196 1.00 0.78 C ATOM 2412 CD GLU A 150 -14.036 -7.382 -8.211 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -12.985 -7.297 -8.878 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -14.331 -8.397 -7.535 1.00 1.50 O ATOM 0 H GLU A 150 -15.167 -3.672 -6.798 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.399 -5.075 -7.714 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -14.965 -5.880 -6.092 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.158 -7.047 -6.626 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -15.725 -6.323 -8.994 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.442 -5.288 -8.400 1.00 0.78 H new ATOM 2421 N GLU A 151 -17.251 -4.557 -4.516 1.00 0.72 N ATOM 2422 CA GLU A 151 -17.905 -4.730 -3.238 1.00 0.84 C ATOM 2423 C GLU A 151 -19.122 -3.811 -3.134 1.00 0.88 C ATOM 2424 O GLU A 151 -19.874 -3.864 -2.157 1.00 1.06 O ATOM 2425 CB GLU A 151 -16.910 -4.435 -2.115 1.00 0.86 C ATOM 2426 CG GLU A 151 -15.543 -5.072 -2.329 1.00 0.95 C ATOM 2427 CD GLU A 151 -15.599 -6.585 -2.448 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -15.589 -7.099 -3.586 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -15.669 -7.268 -1.405 1.00 1.63 O ATOM 0 H GLU A 151 -16.488 -3.880 -4.511 1.00 0.72 H new ATOM 0 HA GLU A 151 -18.251 -5.760 -3.146 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -16.788 -3.356 -2.023 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -17.324 -4.791 -1.171 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -15.095 -4.659 -3.233 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -14.890 -4.803 -1.498 1.00 0.95 H new ATOM 2436 N GLY A 152 -19.328 -2.992 -4.160 1.00 0.84 N ATOM 2437 CA GLY A 152 -20.388 -2.009 -4.114 1.00 0.96 C ATOM 2438 C GLY A 152 -21.370 -2.118 -5.265 1.00 1.04 C ATOM 2439 O GLY A 152 -22.518 -2.513 -5.067 1.00 1.32 O ATOM 0 H GLY A 152 -18.780 -2.993 -5.020 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -20.930 -2.115 -3.174 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.947 -1.012 -4.117 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.932 -1.767 -6.468 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.828 -1.730 -7.618 1.00 1.47 C ATOM 2445 C ALA A 153 -21.336 -2.637 -8.734 1.00 1.29 C ATOM 2446 O ALA A 153 -22.112 -3.402 -9.310 1.00 1.70 O ATOM 2447 CB ALA A 153 -21.984 -0.305 -8.126 1.00 1.92 C ATOM 0 H ALA A 153 -19.968 -1.505 -6.672 1.00 1.14 H new ATOM 0 HA ALA A 153 -22.801 -2.097 -7.292 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -22.656 -0.296 -8.984 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -22.398 0.320 -7.335 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -21.010 0.084 -8.424 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.053 -2.546 -9.042 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.455 -3.371 -10.080 1.00 1.02 C ATOM 2455 C LYS A 154 -19.121 -4.752 -9.522 1.00 1.38 C ATOM 2456 O LYS A 154 -19.244 -4.989 -8.324 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.178 -2.699 -10.606 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.568 -3.375 -11.826 1.00 1.02 C ATOM 2459 CD LYS A 154 -16.208 -2.795 -12.171 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.175 -3.088 -11.093 1.00 0.73 C ATOM 2461 NZ LYS A 154 -14.759 -4.520 -11.078 1.00 1.32 N ATOM 0 H LYS A 154 -19.402 -1.906 -8.586 1.00 1.09 H new ATOM 0 HA LYS A 154 -20.166 -3.482 -10.899 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -18.404 -1.662 -10.855 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -17.436 -2.680 -9.807 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -17.470 -4.444 -11.638 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -18.238 -3.261 -12.678 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -15.868 -3.207 -13.121 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -16.297 -1.717 -12.305 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -14.299 -2.460 -11.253 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -15.585 -2.821 -10.119 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -13.983 -4.649 -10.398 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -15.566 -5.113 -10.799 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -14.437 -4.798 -12.027 1.00 1.32 H new ATOM 2475 N LYS A 155 -18.740 -5.661 -10.399 1.00 1.82 N ATOM 2476 CA LYS A 155 -18.146 -6.917 -9.996 1.00 2.44 C ATOM 2477 C LYS A 155 -17.221 -7.388 -11.108 1.00 3.14 C ATOM 2478 O LYS A 155 -17.662 -8.179 -11.966 1.00 3.71 O ATOM 2479 CB LYS A 155 -19.222 -7.967 -9.676 1.00 2.82 C ATOM 2480 CG LYS A 155 -18.661 -9.323 -9.262 1.00 2.95 C ATOM 2481 CD LYS A 155 -17.666 -9.211 -8.113 1.00 3.46 C ATOM 2482 CE LYS A 155 -18.324 -8.761 -6.814 1.00 3.45 C ATOM 2483 NZ LYS A 155 -17.355 -8.764 -5.682 1.00 4.22 N ATOM 2484 OXT LYS A 155 -16.073 -6.909 -11.154 1.00 3.60 O ATOM 0 H LYS A 155 -18.834 -5.548 -11.408 1.00 1.82 H new ATOM 0 HA LYS A 155 -17.572 -6.775 -9.080 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -19.858 -7.589 -8.876 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -19.857 -8.100 -10.552 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -19.481 -9.978 -8.967 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -18.173 -9.789 -10.118 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -17.185 -10.177 -7.958 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -16.882 -8.504 -8.383 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -18.734 -7.759 -6.941 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -19.160 -9.421 -6.581 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -17.604 -9.521 -5.014 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -16.395 -8.927 -6.047 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -17.388 -7.846 -5.194 1.00 4.22 H new TER 2498 LYS A 155