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 135 LYS NZ :NH3+ 164:sc= 1.03 (180deg=0) USER MOD Set 1.2: A 139 THR OG1 : rot 64:sc= 1.77 USER MOD Set 2.1: A 1 ASN : amide:sc= 0.366 K(o=0.37,f=-5.8!) USER MOD Set 2.2: A 133 MET CE :methyl -150:sc= 0 (180deg=-0.0104) USER MOD Set 3.1: A 95 SER OG : rot 95:sc= 0.725 USER MOD Set 3.2: A 115 HIS : no HD1:sc= -3.91! C(o=-3.2!,f=-9.2!) USER MOD Set 4.1: A 33 ASN : amide:sc= -4.74! C(o=-8.4!,f=-9.1!) USER MOD Set 4.2: A 84 ASN : amide:sc= -3.71! C(o=-8.4!,f=-16!) USER MOD Single : A 1 ASN N :NH3+ -159:sc= 0.848 (180deg=0.439) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -3.19 K(o=-3.2,f=-4.7) USER MOD Single : A 9 SER OG : rot 180:sc= 0.397 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -148:sc= 1.17 (180deg=-0.739) USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= -0.145 (180deg=-0.62) USER MOD Single : A 18 THR OG1 : rot -78:sc= 0.737 USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= -0.0469 (180deg=-0.36) USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.645 USER MOD Single : A 34 ASN : amide:sc= 0.62 K(o=0.62,f=-7.7!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 16:sc= 0.823 USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 0.707 (180deg=0.308) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc=-0.00684 (180deg=-0.141) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -6! C(o=-6!,f=-6.2!) USER MOD Single : A 63 HIS : no HD1:sc= -2.37! X(o=-2.4!,f=-2.8) USER MOD Single : A 64 THR OG1 : rot 146:sc= 1.19 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -69:sc= 0.857 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.884 F(o=-1.4!,f=-0.88) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 91:sc= 0.00404 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 107 LYS NZ :NH3+ 162:sc= -0.0422 (180deg=-0.386) USER MOD Single : A 108 LYS NZ :NH3+ -162:sc= 1.22 (180deg=0.886) USER MOD Single : A 109 THR OG1 : rot -5:sc= 0.769 USER MOD Single : A 116 THR OG1 : rot 156:sc= 1.21 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 MET CE :methyl 163:sc= -0.0676 (180deg=-0.528) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-2.4) USER MOD Single : A 127 LYS NZ :NH3+ -158:sc= -0.128 (180deg=-0.698) USER MOD Single : A 131 ASN : amide:sc= -1.79! X(o=-1.8!,f=-1.6) USER MOD Single : A 142 GLN : amide:sc= -0.0052 X(o=-0.0052,f=-0.19) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= 0.787 K(o=0.79,f=-0.57) USER MOD Single : A 147 LYS NZ :NH3+ -153:sc= 1.17 (180deg=0.834) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 155 LYS NZ :NH3+ -146:sc= 1.29 (180deg=0.964) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 5.230 12.312 -7.964 1.00 1.65 N ATOM 2 CA ASN A 1 5.228 12.352 -6.481 1.00 1.32 C ATOM 3 C ASN A 1 6.616 12.048 -5.916 1.00 1.24 C ATOM 4 O ASN A 1 6.968 10.889 -5.705 1.00 1.61 O ATOM 5 CB ASN A 1 4.180 11.374 -5.903 1.00 1.23 C ATOM 6 CG ASN A 1 4.359 9.931 -6.360 1.00 1.26 C ATOM 7 OD1 ASN A 1 4.843 9.666 -7.459 1.00 1.66 O ATOM 8 ND2 ASN A 1 3.957 8.989 -5.521 1.00 1.42 N ATOM 0 H1 ASN A 1 4.417 12.850 -8.327 1.00 1.65 H new ATOM 0 H2 ASN A 1 6.111 12.733 -8.321 1.00 1.65 H new ATOM 0 H3 ASN A 1 5.163 11.325 -8.285 1.00 1.65 H new ATOM 0 HA ASN A 1 4.956 13.363 -6.179 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.228 11.408 -4.815 1.00 1.23 H new ATOM 0 HB3 ASN A 1 3.185 11.714 -6.189 1.00 1.23 H new ATOM 0 HD21 ASN A 1 4.044 8.006 -5.778 1.00 1.42 H new ATOM 0 HD22 ASN A 1 3.560 9.246 -4.617 1.00 1.42 H new ATOM 17 N TYR A 2 7.410 13.102 -5.692 1.00 1.16 N ATOM 18 CA TYR A 2 8.743 12.964 -5.099 1.00 1.12 C ATOM 19 C TYR A 2 9.409 14.332 -4.950 1.00 1.22 C ATOM 20 O TYR A 2 10.214 14.540 -4.043 1.00 1.20 O ATOM 21 CB TYR A 2 9.632 12.028 -5.936 1.00 1.31 C ATOM 22 CG TYR A 2 10.371 12.684 -7.086 1.00 1.67 C ATOM 23 CD1 TYR A 2 11.695 13.077 -6.937 1.00 2.21 C ATOM 24 CD2 TYR A 2 9.757 12.899 -8.314 1.00 1.84 C ATOM 25 CE1 TYR A 2 12.386 13.665 -7.977 1.00 2.90 C ATOM 26 CE2 TYR A 2 10.443 13.489 -9.360 1.00 2.43 C ATOM 27 CZ TYR A 2 11.758 13.868 -9.184 1.00 2.97 C ATOM 28 OH TYR A 2 12.447 14.453 -10.221 1.00 3.73 O ATOM 0 H TYR A 2 7.150 14.063 -5.914 1.00 1.16 H new ATOM 0 HA TYR A 2 8.622 12.522 -4.110 1.00 1.12 H new ATOM 0 HB2 TYR A 2 10.364 11.563 -5.275 1.00 1.31 H new ATOM 0 HB3 TYR A 2 9.010 11.227 -6.336 1.00 1.31 H new ATOM 0 HD1 TYR A 2 12.192 12.920 -5.991 1.00 2.21 H new ATOM 0 HD2 TYR A 2 8.728 12.601 -8.454 1.00 1.84 H new ATOM 0 HE1 TYR A 2 13.415 13.964 -7.844 1.00 2.90 H new ATOM 0 HE2 TYR A 2 9.953 13.652 -10.308 1.00 2.43 H new ATOM 0 HH TYR A 2 11.862 14.524 -11.004 1.00 3.73 H new ATOM 38 N ASP A 3 9.056 15.265 -5.834 1.00 1.44 N ATOM 39 CA ASP A 3 9.666 16.597 -5.830 1.00 1.65 C ATOM 40 C ASP A 3 9.324 17.362 -4.547 1.00 1.53 C ATOM 41 O ASP A 3 10.222 17.695 -3.776 1.00 1.62 O ATOM 42 CB ASP A 3 9.255 17.386 -7.082 1.00 1.99 C ATOM 43 CG ASP A 3 9.751 18.821 -7.073 1.00 2.44 C ATOM 44 OD1 ASP A 3 10.844 19.077 -7.615 1.00 2.78 O ATOM 45 OD2 ASP A 3 9.033 19.706 -6.556 1.00 2.63 O ATOM 0 H ASP A 3 8.353 15.125 -6.560 1.00 1.44 H new ATOM 0 HA ASP A 3 10.749 16.473 -5.853 1.00 1.65 H new ATOM 0 HB2 ASP A 3 9.642 16.880 -7.966 1.00 1.99 H new ATOM 0 HB3 ASP A 3 8.168 17.384 -7.164 1.00 1.99 H new ATOM 50 N PRO A 4 8.035 17.665 -4.279 1.00 1.46 N ATOM 51 CA PRO A 4 7.643 18.296 -3.031 1.00 1.45 C ATOM 52 C PRO A 4 7.306 17.256 -1.968 1.00 1.27 C ATOM 53 O PRO A 4 7.902 17.223 -0.889 1.00 1.34 O ATOM 54 CB PRO A 4 6.401 19.111 -3.419 1.00 1.61 C ATOM 55 CG PRO A 4 5.979 18.628 -4.779 1.00 1.63 C ATOM 56 CD PRO A 4 6.868 17.468 -5.146 1.00 1.52 C ATOM 0 HA PRO A 4 8.435 18.907 -2.598 1.00 1.45 H new ATOM 0 HB2 PRO A 4 5.601 18.969 -2.692 1.00 1.61 H new ATOM 0 HB3 PRO A 4 6.628 20.177 -3.439 1.00 1.61 H new ATOM 0 HG2 PRO A 4 4.933 18.321 -4.769 1.00 1.63 H new ATOM 0 HG3 PRO A 4 6.069 19.427 -5.514 1.00 1.63 H new ATOM 0 HD2 PRO A 4 6.382 16.511 -4.958 1.00 1.52 H new ATOM 0 HD3 PRO A 4 7.141 17.485 -6.201 1.00 1.52 H new ATOM 64 N PHE A 5 6.353 16.402 -2.302 1.00 1.17 N ATOM 65 CA PHE A 5 5.930 15.321 -1.440 1.00 1.11 C ATOM 66 C PHE A 5 5.396 14.189 -2.299 1.00 0.94 C ATOM 67 O PHE A 5 5.168 14.373 -3.499 1.00 1.01 O ATOM 68 CB PHE A 5 4.850 15.800 -0.455 1.00 1.40 C ATOM 69 CG PHE A 5 3.625 16.388 -1.111 1.00 1.63 C ATOM 70 CD1 PHE A 5 3.573 17.736 -1.432 1.00 1.75 C ATOM 71 CD2 PHE A 5 2.529 15.592 -1.410 1.00 2.34 C ATOM 72 CE1 PHE A 5 2.455 18.277 -2.037 1.00 2.39 C ATOM 73 CE2 PHE A 5 1.408 16.128 -2.014 1.00 3.21 C ATOM 74 CZ PHE A 5 1.363 17.473 -2.312 1.00 3.19 C ATOM 0 H PHE A 5 5.849 16.443 -3.188 1.00 1.17 H new ATOM 0 HA PHE A 5 6.781 14.971 -0.857 1.00 1.11 H new ATOM 0 HB2 PHE A 5 4.545 14.959 0.168 1.00 1.40 H new ATOM 0 HB3 PHE A 5 5.286 16.547 0.208 1.00 1.40 H new ATOM 0 HD1 PHE A 5 4.417 18.371 -1.206 1.00 1.75 H new ATOM 0 HD2 PHE A 5 2.552 14.540 -1.168 1.00 2.34 H new ATOM 0 HE1 PHE A 5 2.433 19.326 -2.295 1.00 2.39 H new ATOM 0 HE2 PHE A 5 0.567 15.493 -2.253 1.00 3.21 H new ATOM 0 HZ PHE A 5 0.477 17.899 -2.759 1.00 3.19 H new ATOM 84 N VAL A 6 5.205 13.027 -1.704 1.00 0.85 N ATOM 85 CA VAL A 6 4.587 11.921 -2.406 1.00 0.79 C ATOM 86 C VAL A 6 3.160 11.779 -1.908 1.00 0.69 C ATOM 87 O VAL A 6 2.901 11.853 -0.703 1.00 0.77 O ATOM 88 CB VAL A 6 5.361 10.584 -2.240 1.00 0.92 C ATOM 89 CG1 VAL A 6 6.847 10.786 -2.493 1.00 1.44 C ATOM 90 CG2 VAL A 6 5.135 9.961 -0.873 1.00 1.41 C ATOM 0 H VAL A 6 5.468 12.826 -0.739 1.00 0.85 H new ATOM 0 HA VAL A 6 4.605 12.142 -3.473 1.00 0.79 H new ATOM 0 HB VAL A 6 4.969 9.891 -2.984 1.00 0.92 H new ATOM 0 HG11 VAL A 6 7.369 9.837 -2.371 1.00 1.44 H new ATOM 0 HG12 VAL A 6 6.996 11.155 -3.508 1.00 1.44 H new ATOM 0 HG13 VAL A 6 7.242 11.511 -1.782 1.00 1.44 H new ATOM 0 HG21 VAL A 6 5.695 9.028 -0.801 1.00 1.41 H new ATOM 0 HG22 VAL A 6 5.475 10.649 -0.099 1.00 1.41 H new ATOM 0 HG23 VAL A 6 4.073 9.758 -0.737 1.00 1.41 H new ATOM 100 N ARG A 7 2.229 11.630 -2.825 1.00 0.64 N ATOM 101 CA ARG A 7 0.835 11.578 -2.452 1.00 0.56 C ATOM 102 C ARG A 7 0.141 10.396 -3.102 1.00 0.54 C ATOM 103 O ARG A 7 0.522 9.942 -4.181 1.00 0.64 O ATOM 104 CB ARG A 7 0.123 12.872 -2.853 1.00 0.57 C ATOM 105 CG ARG A 7 -1.319 12.936 -2.375 1.00 0.57 C ATOM 106 CD ARG A 7 -2.019 14.191 -2.859 1.00 0.71 C ATOM 107 NE ARG A 7 -2.196 14.207 -4.310 1.00 1.61 N ATOM 108 CZ ARG A 7 -3.351 14.489 -4.903 1.00 2.25 C ATOM 109 NH1 ARG A 7 -4.455 14.631 -4.174 1.00 2.26 N ATOM 110 NH2 ARG A 7 -3.414 14.586 -6.226 1.00 3.37 N ATOM 0 H ARG A 7 2.411 11.544 -3.825 1.00 0.64 H new ATOM 0 HA ARG A 7 0.786 11.461 -1.369 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.672 13.722 -2.447 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.144 12.969 -3.938 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.859 12.059 -2.731 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.342 12.904 -1.286 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -2.993 14.269 -2.376 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -1.442 15.065 -2.557 1.00 0.71 H new ATOM 0 HE ARG A 7 -1.391 13.990 -4.898 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -4.414 14.523 -3.161 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -5.342 14.848 -4.629 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -2.575 14.444 -6.788 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -4.301 14.803 -6.680 1.00 3.37 H new ATOM 124 N HIS A 8 -0.861 9.894 -2.415 1.00 0.47 N ATOM 125 CA HIS A 8 -1.761 8.899 -2.968 1.00 0.46 C ATOM 126 C HIS A 8 -3.157 9.485 -2.962 1.00 0.39 C ATOM 127 O HIS A 8 -3.576 10.031 -1.959 1.00 0.39 O ATOM 128 CB HIS A 8 -1.666 7.628 -2.105 1.00 0.56 C ATOM 129 CG HIS A 8 -2.815 6.648 -2.164 1.00 0.45 C ATOM 130 ND1 HIS A 8 -3.032 5.716 -1.166 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.800 6.446 -3.073 1.00 0.79 C ATOM 132 CE1 HIS A 8 -4.093 4.992 -1.456 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.581 5.413 -2.606 1.00 0.76 N ATOM 0 H HIS A 8 -1.077 10.163 -1.455 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.501 8.632 -3.992 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.758 7.097 -2.390 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -1.542 7.937 -1.067 1.00 0.56 H new ATOM 0 HD2 HIS A 8 -3.945 6.994 -3.993 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -4.495 4.190 -0.854 1.00 0.41 H new ATOM 0 HE2 HIS A 8 -5.404 5.034 -3.074 1.00 0.76 H new ATOM 142 N SER A 9 -3.875 9.371 -4.062 1.00 0.42 N ATOM 143 CA SER A 9 -5.231 9.878 -4.107 1.00 0.40 C ATOM 144 C SER A 9 -6.124 8.914 -4.861 1.00 0.41 C ATOM 145 O SER A 9 -5.935 8.676 -6.053 1.00 0.53 O ATOM 146 CB SER A 9 -5.267 11.267 -4.749 1.00 0.52 C ATOM 147 OG SER A 9 -6.487 11.930 -4.457 1.00 1.28 O ATOM 0 H SER A 9 -3.547 8.938 -4.925 1.00 0.42 H new ATOM 0 HA SER A 9 -5.603 9.969 -3.087 1.00 0.40 H new ATOM 0 HB2 SER A 9 -4.429 11.862 -4.385 1.00 0.52 H new ATOM 0 HB3 SER A 9 -5.148 11.176 -5.829 1.00 0.52 H new ATOM 0 HG SER A 9 -6.486 12.816 -4.876 1.00 1.28 H new ATOM 153 N VAL A 10 -7.071 8.331 -4.145 1.00 0.35 N ATOM 154 CA VAL A 10 -7.997 7.374 -4.728 1.00 0.36 C ATOM 155 C VAL A 10 -9.436 7.702 -4.347 1.00 0.32 C ATOM 156 O VAL A 10 -9.711 8.100 -3.213 1.00 0.32 O ATOM 157 CB VAL A 10 -7.639 5.934 -4.282 1.00 0.45 C ATOM 158 CG1 VAL A 10 -8.863 5.033 -4.233 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.588 5.346 -5.207 1.00 1.18 C ATOM 0 H VAL A 10 -7.219 8.506 -3.151 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.909 7.439 -5.813 1.00 0.36 H new ATOM 0 HB VAL A 10 -7.237 5.993 -3.271 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.566 4.033 -3.916 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.586 5.439 -3.525 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -9.316 4.980 -5.223 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -6.344 4.334 -4.884 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -6.974 5.319 -6.226 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.690 5.963 -5.176 1.00 1.18 H new ATOM 169 N THR A 11 -10.340 7.555 -5.304 1.00 0.35 N ATOM 170 CA THR A 11 -11.754 7.701 -5.036 1.00 0.34 C ATOM 171 C THR A 11 -12.382 6.323 -4.865 1.00 0.33 C ATOM 172 O THR A 11 -12.411 5.515 -5.795 1.00 0.43 O ATOM 173 CB THR A 11 -12.467 8.449 -6.181 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.769 9.666 -6.477 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.907 8.769 -5.805 1.00 0.51 C ATOM 0 H THR A 11 -10.114 7.334 -6.274 1.00 0.35 H new ATOM 0 HA THR A 11 -11.870 8.284 -4.122 1.00 0.34 H new ATOM 0 HB THR A 11 -12.471 7.805 -7.060 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.225 10.136 -7.206 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.389 9.296 -6.628 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.445 7.843 -5.603 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.919 9.397 -4.914 1.00 0.51 H new ATOM 183 N VAL A 12 -12.870 6.056 -3.673 1.00 0.29 N ATOM 184 CA VAL A 12 -13.512 4.791 -3.378 1.00 0.35 C ATOM 185 C VAL A 12 -15.027 4.939 -3.497 1.00 0.32 C ATOM 186 O VAL A 12 -15.613 5.867 -2.936 1.00 0.36 O ATOM 187 CB VAL A 12 -13.125 4.305 -1.965 1.00 0.43 C ATOM 188 CG1 VAL A 12 -14.003 3.153 -1.526 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.658 3.898 -1.934 1.00 0.81 C ATOM 0 H VAL A 12 -12.834 6.703 -2.886 1.00 0.29 H new ATOM 0 HA VAL A 12 -13.173 4.047 -4.098 1.00 0.35 H new ATOM 0 HB VAL A 12 -13.278 5.128 -1.267 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.708 2.831 -0.527 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -15.044 3.474 -1.511 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.890 2.323 -2.223 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.396 3.557 -0.932 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.489 3.092 -2.648 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -11.037 4.754 -2.200 1.00 0.81 H new ATOM 199 N LYS A 13 -15.649 4.023 -4.229 1.00 0.34 N ATOM 200 CA LYS A 13 -17.075 4.102 -4.521 1.00 0.38 C ATOM 201 C LYS A 13 -17.876 3.120 -3.670 1.00 0.31 C ATOM 202 O LYS A 13 -18.984 2.732 -4.041 1.00 0.37 O ATOM 203 CB LYS A 13 -17.334 3.816 -6.010 1.00 0.58 C ATOM 204 CG LYS A 13 -16.842 2.449 -6.486 1.00 0.68 C ATOM 205 CD LYS A 13 -15.365 2.467 -6.867 1.00 0.97 C ATOM 206 CE LYS A 13 -15.098 3.389 -8.050 1.00 0.88 C ATOM 207 NZ LYS A 13 -15.989 3.089 -9.203 1.00 0.98 N ATOM 0 H LYS A 13 -15.184 3.211 -4.634 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.402 5.114 -4.280 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -18.405 3.890 -6.201 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -16.850 4.590 -6.606 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -17.003 1.713 -5.699 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -17.433 2.131 -7.345 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -14.773 2.792 -6.012 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -15.041 1.456 -7.113 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -15.240 4.425 -7.742 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -14.058 3.289 -8.360 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -15.488 3.293 -10.091 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -16.260 2.085 -9.181 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -16.843 3.679 -9.144 1.00 0.98 H new ATOM 221 N ALA A 14 -17.328 2.730 -2.525 1.00 0.29 N ATOM 222 CA ALA A 14 -18.001 1.761 -1.665 1.00 0.30 C ATOM 223 C ALA A 14 -17.721 2.025 -0.189 1.00 0.28 C ATOM 224 O ALA A 14 -17.739 1.098 0.630 1.00 0.31 O ATOM 225 CB ALA A 14 -17.587 0.349 -2.055 1.00 0.36 C ATOM 0 H ALA A 14 -16.431 3.064 -2.173 1.00 0.29 H new ATOM 0 HA ALA A 14 -19.076 1.868 -1.809 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -18.092 -0.370 -1.410 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.864 0.162 -3.093 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.508 0.242 -1.942 1.00 0.36 H new ATOM 231 N ASP A 15 -17.485 3.296 0.144 1.00 0.28 N ATOM 232 CA ASP A 15 -17.291 3.731 1.536 1.00 0.31 C ATOM 233 C ASP A 15 -15.933 3.287 2.110 1.00 0.28 C ATOM 234 O ASP A 15 -15.247 2.416 1.561 1.00 0.29 O ATOM 235 CB ASP A 15 -18.455 3.231 2.411 1.00 0.39 C ATOM 236 CG ASP A 15 -18.268 3.502 3.890 1.00 0.61 C ATOM 237 OD1 ASP A 15 -18.061 2.540 4.658 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.342 4.684 4.289 1.00 0.76 O ATOM 0 H ASP A 15 -17.423 4.052 -0.538 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.284 4.821 1.542 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.378 3.706 2.078 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.576 2.158 2.260 1.00 0.39 H new ATOM 243 N ARG A 16 -15.571 3.899 3.235 1.00 0.28 N ATOM 244 CA ARG A 16 -14.260 3.743 3.850 1.00 0.27 C ATOM 245 C ARG A 16 -14.046 2.319 4.353 1.00 0.28 C ATOM 246 O ARG A 16 -12.908 1.856 4.458 1.00 0.28 O ATOM 247 CB ARG A 16 -14.124 4.740 5.005 1.00 0.29 C ATOM 248 CG ARG A 16 -12.693 5.076 5.369 1.00 0.28 C ATOM 249 CD ARG A 16 -12.609 6.401 6.114 1.00 0.40 C ATOM 250 NE ARG A 16 -13.418 6.417 7.331 1.00 0.93 N ATOM 251 CZ ARG A 16 -13.202 7.244 8.352 1.00 1.32 C ATOM 252 NH1 ARG A 16 -12.275 8.187 8.257 1.00 1.37 N ATOM 253 NH2 ARG A 16 -13.930 7.145 9.459 1.00 1.88 N ATOM 0 H ARG A 16 -16.190 4.525 3.750 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.497 3.943 3.098 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.645 5.660 4.740 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.624 4.332 5.883 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.277 4.281 5.988 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -12.087 5.126 4.464 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.569 6.603 6.371 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.936 7.205 5.455 1.00 0.40 H new ATOM 0 HE ARG A 16 -14.192 5.757 7.402 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.727 8.279 7.402 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -12.110 8.820 9.039 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.658 6.434 9.529 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -13.761 7.780 10.239 1.00 1.88 H new ATOM 267 N LYS A 17 -15.142 1.633 4.657 1.00 0.33 N ATOM 268 CA LYS A 17 -15.085 0.266 5.138 1.00 0.39 C ATOM 269 C LYS A 17 -14.412 -0.646 4.115 1.00 0.35 C ATOM 270 O LYS A 17 -13.473 -1.372 4.447 1.00 0.37 O ATOM 271 CB LYS A 17 -16.496 -0.230 5.439 1.00 0.53 C ATOM 272 CG LYS A 17 -16.531 -1.437 6.351 1.00 1.34 C ATOM 273 CD LYS A 17 -15.841 -1.133 7.668 1.00 1.70 C ATOM 274 CE LYS A 17 -16.109 -2.210 8.696 1.00 2.46 C ATOM 275 NZ LYS A 17 -17.558 -2.317 9.010 1.00 3.05 N ATOM 0 H LYS A 17 -16.087 2.009 4.576 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.491 0.243 6.051 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -17.066 0.578 5.897 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.993 -0.479 4.501 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -17.565 -1.730 6.535 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -16.042 -2.281 5.865 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -14.767 -1.043 7.505 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -16.187 -0.172 8.048 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -15.745 -3.168 8.324 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -15.554 -1.990 9.608 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -17.679 -2.750 9.948 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -17.984 -1.368 9.009 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -18.026 -2.908 8.293 1.00 3.05 H new ATOM 289 N THR A 18 -14.878 -0.590 2.870 1.00 0.35 N ATOM 290 CA THR A 18 -14.315 -1.422 1.814 1.00 0.36 C ATOM 291 C THR A 18 -12.935 -0.926 1.421 1.00 0.33 C ATOM 292 O THR A 18 -12.065 -1.716 1.051 1.00 0.37 O ATOM 293 CB THR A 18 -15.203 -1.438 0.559 1.00 0.41 C ATOM 294 OG1 THR A 18 -15.441 -0.099 0.126 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.526 -2.140 0.826 1.00 0.80 C ATOM 0 H THR A 18 -15.639 0.019 2.570 1.00 0.35 H new ATOM 0 HA THR A 18 -14.252 -2.434 2.214 1.00 0.36 H new ATOM 0 HB THR A 18 -14.682 -1.991 -0.223 1.00 0.41 H new ATOM 0 HG1 THR A 18 -16.129 0.310 0.691 1.00 1.11 H new ATOM 0 HG21 THR A 18 -17.131 -2.134 -0.081 1.00 0.80 H new ATOM 0 HG22 THR A 18 -16.337 -3.170 1.129 1.00 0.80 H new ATOM 0 HG23 THR A 18 -17.060 -1.620 1.621 1.00 0.80 H new ATOM 303 N ALA A 19 -12.741 0.386 1.501 1.00 0.29 N ATOM 304 CA ALA A 19 -11.449 0.984 1.201 1.00 0.29 C ATOM 305 C ALA A 19 -10.359 0.373 2.073 1.00 0.28 C ATOM 306 O ALA A 19 -9.334 -0.087 1.570 1.00 0.32 O ATOM 307 CB ALA A 19 -11.508 2.490 1.396 1.00 0.31 C ATOM 0 H ALA A 19 -13.463 1.054 1.771 1.00 0.29 H new ATOM 0 HA ALA A 19 -11.206 0.778 0.159 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.535 2.925 1.168 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -12.260 2.914 0.730 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.772 2.713 2.430 1.00 0.31 H new ATOM 313 N PHE A 20 -10.602 0.347 3.376 1.00 0.25 N ATOM 314 CA PHE A 20 -9.663 -0.243 4.321 1.00 0.26 C ATOM 315 C PHE A 20 -9.621 -1.760 4.160 1.00 0.31 C ATOM 316 O PHE A 20 -8.548 -2.366 4.194 1.00 0.33 O ATOM 317 CB PHE A 20 -10.056 0.134 5.752 1.00 0.28 C ATOM 318 CG PHE A 20 -9.304 -0.610 6.821 1.00 0.30 C ATOM 319 CD1 PHE A 20 -8.061 -0.167 7.244 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.834 -1.753 7.393 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.360 -0.851 8.218 1.00 0.37 C ATOM 322 CE2 PHE A 20 -9.138 -2.441 8.370 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.930 -1.982 8.811 1.00 0.38 C ATOM 0 H PHE A 20 -11.445 0.729 3.805 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.667 0.148 4.115 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.896 1.203 5.890 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -11.123 -0.048 5.882 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.635 0.724 6.807 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.801 -2.112 7.073 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.379 -0.515 8.519 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.552 -3.347 8.787 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.417 -2.490 9.614 1.00 0.38 H new ATOM 333 N LYS A 21 -10.796 -2.360 3.975 1.00 0.35 N ATOM 334 CA LYS A 21 -10.903 -3.805 3.787 1.00 0.42 C ATOM 335 C LYS A 21 -10.002 -4.270 2.652 1.00 0.44 C ATOM 336 O LYS A 21 -9.177 -5.160 2.827 1.00 0.49 O ATOM 337 CB LYS A 21 -12.358 -4.192 3.487 1.00 0.49 C ATOM 338 CG LYS A 21 -12.523 -5.586 2.889 1.00 0.64 C ATOM 339 CD LYS A 21 -12.190 -6.682 3.887 1.00 1.24 C ATOM 340 CE LYS A 21 -13.262 -6.803 4.953 1.00 1.79 C ATOM 341 NZ LYS A 21 -14.559 -7.255 4.384 1.00 2.39 N ATOM 0 H LYS A 21 -11.688 -1.866 3.951 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.583 -4.294 4.707 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.935 -4.134 4.410 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.782 -3.461 2.799 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -13.549 -5.712 2.543 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.878 -5.684 2.016 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -12.085 -7.633 3.364 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -11.230 -6.469 4.357 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -12.936 -7.507 5.718 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -13.397 -5.839 5.444 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -15.160 -7.631 5.145 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -15.038 -6.451 3.930 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -14.388 -7.999 3.678 1.00 2.39 H new ATOM 355 N THR A 22 -10.148 -3.639 1.501 1.00 0.43 N ATOM 356 CA THR A 22 -9.395 -4.028 0.330 1.00 0.48 C ATOM 357 C THR A 22 -7.920 -3.681 0.499 1.00 0.49 C ATOM 358 O THR A 22 -7.059 -4.532 0.303 1.00 0.68 O ATOM 359 CB THR A 22 -9.954 -3.341 -0.932 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.385 -3.416 -0.926 1.00 0.48 O ATOM 361 CG2 THR A 22 -9.420 -3.995 -2.198 1.00 0.58 C ATOM 0 H THR A 22 -10.783 -2.854 1.355 1.00 0.43 H new ATOM 0 HA THR A 22 -9.491 -5.107 0.213 1.00 0.48 H new ATOM 0 HB THR A 22 -9.634 -2.299 -0.922 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.745 -2.756 -0.297 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.832 -3.489 -3.071 1.00 0.58 H new ATOM 0 HG22 THR A 22 -8.333 -3.921 -2.215 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.712 -5.045 -2.216 1.00 0.58 H new ATOM 369 N PHE A 23 -7.648 -2.445 0.918 1.00 0.37 N ATOM 370 CA PHE A 23 -6.281 -1.929 0.974 1.00 0.38 C ATOM 371 C PHE A 23 -5.402 -2.724 1.940 1.00 0.38 C ATOM 372 O PHE A 23 -4.202 -2.871 1.709 1.00 0.43 O ATOM 373 CB PHE A 23 -6.287 -0.443 1.360 1.00 0.37 C ATOM 374 CG PHE A 23 -4.940 0.229 1.272 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.465 0.719 0.061 1.00 0.44 C ATOM 376 CD2 PHE A 23 -4.153 0.377 2.403 1.00 0.40 C ATOM 377 CE1 PHE A 23 -3.235 1.342 -0.015 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.921 0.999 2.331 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.462 1.481 1.121 1.00 0.48 C ATOM 0 H PHE A 23 -8.359 -1.781 1.224 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.852 -2.041 -0.022 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.986 0.085 0.712 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.662 -0.346 2.379 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -5.065 0.611 -0.831 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.507 0.002 3.352 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.878 1.720 -0.962 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -2.318 1.108 3.220 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.499 1.966 1.063 1.00 0.48 H new ATOM 389 N LEU A 24 -5.985 -3.241 3.016 1.00 0.35 N ATOM 390 CA LEU A 24 -5.186 -3.907 4.035 1.00 0.37 C ATOM 391 C LEU A 24 -5.548 -5.383 4.199 1.00 0.39 C ATOM 392 O LEU A 24 -4.673 -6.250 4.168 1.00 0.48 O ATOM 393 CB LEU A 24 -5.333 -3.189 5.376 1.00 0.40 C ATOM 394 CG LEU A 24 -4.217 -3.481 6.377 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.892 -2.995 5.825 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.502 -2.829 7.718 1.00 0.44 C ATOM 0 H LEU A 24 -6.987 -3.213 3.203 1.00 0.35 H new ATOM 0 HA LEU A 24 -4.150 -3.862 3.700 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.370 -2.115 5.196 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -6.287 -3.471 5.822 1.00 0.40 H new ATOM 0 HG LEU A 24 -4.167 -4.559 6.533 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -2.099 -3.206 6.543 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.678 -3.508 4.887 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.944 -1.921 5.647 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.691 -3.053 8.411 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.580 -1.750 7.588 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.439 -3.215 8.119 1.00 0.44 H new ATOM 408 N GLU A 25 -6.831 -5.674 4.374 1.00 0.40 N ATOM 409 CA GLU A 25 -7.264 -7.035 4.687 1.00 0.46 C ATOM 410 C GLU A 25 -7.243 -7.923 3.448 1.00 0.54 C ATOM 411 O GLU A 25 -7.190 -9.149 3.549 1.00 1.01 O ATOM 412 CB GLU A 25 -8.667 -7.026 5.290 1.00 0.51 C ATOM 413 CG GLU A 25 -8.795 -6.191 6.552 1.00 0.66 C ATOM 414 CD GLU A 25 -10.179 -6.279 7.159 1.00 0.91 C ATOM 415 OE1 GLU A 25 -10.455 -7.266 7.876 1.00 1.24 O ATOM 416 OE2 GLU A 25 -10.999 -5.374 6.914 1.00 1.18 O ATOM 0 H GLU A 25 -7.587 -4.993 4.306 1.00 0.40 H new ATOM 0 HA GLU A 25 -6.563 -7.443 5.415 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -9.368 -6.649 4.545 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.961 -8.051 5.514 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -8.058 -6.525 7.282 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -8.567 -5.150 6.322 1.00 0.66 H new ATOM 423 N GLY A 26 -7.278 -7.296 2.285 1.00 0.37 N ATOM 424 CA GLY A 26 -7.297 -8.038 1.042 1.00 0.45 C ATOM 425 C GLY A 26 -6.096 -7.730 0.182 1.00 0.48 C ATOM 426 O GLY A 26 -6.195 -7.710 -1.035 1.00 0.83 O ATOM 0 H GLY A 26 -7.294 -6.282 2.178 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.324 -9.106 1.258 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.207 -7.801 0.492 1.00 0.45 H new ATOM 430 N PHE A 27 -4.955 -7.525 0.819 1.00 0.42 N ATOM 431 CA PHE A 27 -3.746 -7.085 0.130 1.00 0.44 C ATOM 432 C PHE A 27 -3.387 -7.983 -1.069 1.00 0.47 C ATOM 433 O PHE A 27 -3.182 -7.479 -2.170 1.00 0.53 O ATOM 434 CB PHE A 27 -2.578 -7.012 1.124 1.00 0.48 C ATOM 435 CG PHE A 27 -1.296 -6.505 0.526 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.215 -5.216 0.027 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.174 -7.317 0.466 1.00 0.63 C ATOM 438 CE1 PHE A 27 -0.039 -4.746 -0.525 1.00 0.65 C ATOM 439 CE2 PHE A 27 1.005 -6.851 -0.083 1.00 0.74 C ATOM 440 CZ PHE A 27 1.073 -5.564 -0.580 1.00 0.71 C ATOM 0 H PHE A 27 -4.837 -7.657 1.824 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.942 -6.092 -0.275 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.861 -6.364 1.954 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.405 -8.005 1.539 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -2.080 -4.571 0.070 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.222 -8.324 0.852 1.00 0.63 H new ATOM 0 HE1 PHE A 27 0.011 -3.739 -0.913 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.873 -7.493 -0.124 1.00 0.74 H new ATOM 0 HZ PHE A 27 1.993 -5.198 -1.011 1.00 0.71 H new ATOM 450 N PRO A 28 -3.305 -9.320 -0.896 1.00 0.49 N ATOM 451 CA PRO A 28 -2.874 -10.212 -1.975 1.00 0.57 C ATOM 452 C PRO A 28 -3.998 -10.691 -2.902 1.00 0.59 C ATOM 453 O PRO A 28 -3.789 -11.610 -3.695 1.00 0.76 O ATOM 454 CB PRO A 28 -2.308 -11.387 -1.190 1.00 0.73 C ATOM 455 CG PRO A 28 -3.206 -11.494 -0.010 1.00 0.74 C ATOM 456 CD PRO A 28 -3.572 -10.078 0.352 1.00 0.52 C ATOM 0 HA PRO A 28 -2.185 -9.712 -2.656 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -2.314 -12.303 -1.781 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -1.275 -11.208 -0.891 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -4.094 -12.080 -0.246 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -2.705 -11.993 0.819 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.616 -9.998 0.654 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -2.971 -9.708 1.183 1.00 0.52 H new ATOM 464 N GLU A 29 -5.179 -10.086 -2.822 1.00 0.54 N ATOM 465 CA GLU A 29 -6.302 -10.544 -3.646 1.00 0.67 C ATOM 466 C GLU A 29 -6.536 -9.622 -4.837 1.00 0.69 C ATOM 467 O GLU A 29 -7.393 -9.895 -5.682 1.00 0.85 O ATOM 468 CB GLU A 29 -7.594 -10.637 -2.829 1.00 0.85 C ATOM 469 CG GLU A 29 -8.197 -9.284 -2.481 1.00 0.90 C ATOM 470 CD GLU A 29 -9.612 -9.388 -1.960 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.791 -9.870 -0.823 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.549 -8.974 -2.676 1.00 1.49 O ATOM 0 H GLU A 29 -5.385 -9.295 -2.211 1.00 0.54 H new ATOM 0 HA GLU A 29 -6.034 -11.536 -4.010 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -8.327 -11.218 -3.389 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -7.392 -11.183 -1.907 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.574 -8.796 -1.731 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.187 -8.649 -3.367 1.00 0.90 H new ATOM 479 N TRP A 30 -5.791 -8.529 -4.896 1.00 0.64 N ATOM 480 CA TRP A 30 -6.002 -7.527 -5.933 1.00 0.81 C ATOM 481 C TRP A 30 -5.593 -8.040 -7.311 1.00 0.66 C ATOM 482 O TRP A 30 -4.961 -9.088 -7.445 1.00 0.74 O ATOM 483 CB TRP A 30 -5.224 -6.245 -5.625 1.00 1.07 C ATOM 484 CG TRP A 30 -5.537 -5.635 -4.297 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.492 -6.031 -3.414 1.00 0.50 C ATOM 486 CD2 TRP A 30 -4.888 -4.507 -3.706 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.456 -5.238 -2.299 1.00 0.80 N ATOM 488 CE2 TRP A 30 -5.484 -4.292 -2.457 1.00 2.05 C ATOM 489 CE3 TRP A 30 -3.855 -3.661 -4.107 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -5.081 -3.270 -1.607 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -3.458 -2.645 -3.261 1.00 4.62 C ATOM 492 CH2 TRP A 30 -4.069 -2.457 -2.022 1.00 4.29 C ATOM 0 H TRP A 30 -5.038 -8.312 -4.242 1.00 0.64 H new ATOM 0 HA TRP A 30 -7.070 -7.311 -5.944 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -4.157 -6.463 -5.668 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -5.431 -5.513 -6.405 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -7.178 -6.851 -3.569 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -7.058 -5.338 -1.482 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -3.373 -3.798 -5.064 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -5.555 -3.124 -0.647 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -2.660 -1.984 -3.564 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -3.735 -1.654 -1.381 1.00 4.29 H new ATOM 503 N TRP A 31 -5.969 -7.277 -8.326 1.00 0.55 N ATOM 504 CA TRP A 31 -5.623 -7.577 -9.709 1.00 0.57 C ATOM 505 C TRP A 31 -4.240 -7.023 -10.132 1.00 0.60 C ATOM 506 O TRP A 31 -3.537 -7.689 -10.891 1.00 0.74 O ATOM 507 CB TRP A 31 -6.681 -7.001 -10.658 1.00 0.74 C ATOM 508 CG TRP A 31 -8.087 -7.423 -10.352 1.00 0.62 C ATOM 509 CD1 TRP A 31 -9.128 -6.606 -10.015 1.00 0.69 C ATOM 510 CD2 TRP A 31 -8.609 -8.757 -10.356 1.00 1.24 C ATOM 511 NE1 TRP A 31 -10.267 -7.349 -9.819 1.00 1.10 N ATOM 512 CE2 TRP A 31 -9.972 -8.672 -10.017 1.00 1.54 C ATOM 513 CE3 TRP A 31 -8.054 -10.016 -10.613 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -10.790 -9.796 -9.931 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -8.868 -11.129 -10.528 1.00 2.53 C ATOM 516 CH2 TRP A 31 -10.221 -11.013 -10.189 1.00 2.78 C ATOM 0 H TRP A 31 -6.525 -6.429 -8.214 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.583 -8.664 -9.775 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.626 -5.913 -10.625 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.439 -7.302 -11.677 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -9.065 -5.532 -9.917 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -11.183 -6.976 -9.567 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -7.010 -10.115 -10.873 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -11.835 -9.710 -9.670 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -8.453 -12.106 -10.727 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -10.829 -11.904 -10.130 1.00 2.78 H new ATOM 527 N PRO A 32 -3.826 -5.800 -9.676 1.00 0.71 N ATOM 528 CA PRO A 32 -2.678 -5.081 -10.269 1.00 0.84 C ATOM 529 C PRO A 32 -1.306 -5.727 -10.020 1.00 0.85 C ATOM 530 O PRO A 32 -0.961 -6.734 -10.640 1.00 1.36 O ATOM 531 CB PRO A 32 -2.754 -3.696 -9.615 1.00 1.01 C ATOM 532 CG PRO A 32 -3.440 -3.925 -8.313 1.00 0.92 C ATOM 533 CD PRO A 32 -4.415 -5.032 -8.558 1.00 0.87 C ATOM 0 HA PRO A 32 -2.751 -5.077 -11.357 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.760 -3.273 -9.469 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -3.311 -2.995 -10.237 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.725 -4.198 -7.537 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -3.949 -3.023 -7.975 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.541 -5.654 -7.672 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.400 -4.644 -8.818 1.00 0.87 H new ATOM 541 N ASN A 33 -0.516 -5.128 -9.132 1.00 0.53 N ATOM 542 CA ASN A 33 0.848 -5.588 -8.875 1.00 0.57 C ATOM 543 C ASN A 33 0.852 -6.797 -7.954 1.00 0.67 C ATOM 544 O ASN A 33 1.577 -7.768 -8.183 1.00 0.72 O ATOM 545 CB ASN A 33 1.691 -4.443 -8.282 1.00 0.60 C ATOM 546 CG ASN A 33 2.610 -4.887 -7.156 1.00 0.82 C ATOM 547 OD1 ASN A 33 2.237 -4.842 -5.987 1.00 1.51 O ATOM 548 ND2 ASN A 33 3.811 -5.310 -7.495 1.00 0.76 N ATOM 0 H ASN A 33 -0.798 -4.320 -8.576 1.00 0.53 H new ATOM 0 HA ASN A 33 1.293 -5.893 -9.822 1.00 0.57 H new ATOM 0 HB2 ASN A 33 2.291 -3.996 -9.075 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.023 -3.666 -7.910 1.00 0.60 H new ATOM 0 HD21 ASN A 33 4.467 -5.614 -6.775 1.00 0.76 H new ATOM 0 HD22 ASN A 33 4.085 -5.333 -8.477 1.00 0.76 H new ATOM 555 N ASN A 34 0.026 -6.741 -6.928 1.00 0.85 N ATOM 556 CA ASN A 34 -0.066 -7.825 -5.960 1.00 1.03 C ATOM 557 C ASN A 34 -0.964 -8.941 -6.472 1.00 1.40 C ATOM 558 O ASN A 34 -2.058 -9.175 -5.957 1.00 1.74 O ATOM 559 CB ASN A 34 -0.551 -7.327 -4.594 1.00 1.07 C ATOM 560 CG ASN A 34 -1.416 -6.083 -4.658 1.00 1.16 C ATOM 561 OD1 ASN A 34 -2.097 -5.818 -5.652 1.00 1.79 O ATOM 562 ND2 ASN A 34 -1.384 -5.305 -3.590 1.00 1.47 N ATOM 0 H ASN A 34 -0.595 -5.954 -6.740 1.00 0.85 H new ATOM 0 HA ASN A 34 0.939 -8.225 -5.829 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -1.115 -8.124 -4.109 1.00 1.07 H new ATOM 0 HB3 ASN A 34 0.316 -7.121 -3.966 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -1.936 -4.448 -3.567 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -0.807 -5.562 -2.789 1.00 1.47 H new ATOM 569 N PHE A 35 -0.488 -9.614 -7.506 1.00 1.51 N ATOM 570 CA PHE A 35 -1.210 -10.722 -8.114 1.00 1.98 C ATOM 571 C PHE A 35 -0.264 -11.913 -8.299 1.00 2.03 C ATOM 572 O PHE A 35 -0.588 -12.897 -8.965 1.00 2.51 O ATOM 573 CB PHE A 35 -1.792 -10.259 -9.458 1.00 2.40 C ATOM 574 CG PHE A 35 -2.787 -11.200 -10.078 1.00 2.92 C ATOM 575 CD1 PHE A 35 -2.499 -11.847 -11.269 1.00 3.19 C ATOM 576 CD2 PHE A 35 -4.013 -11.431 -9.476 1.00 3.49 C ATOM 577 CE1 PHE A 35 -3.414 -12.708 -11.844 1.00 3.91 C ATOM 578 CE2 PHE A 35 -4.931 -12.291 -10.045 1.00 4.27 C ATOM 579 CZ PHE A 35 -4.631 -12.931 -11.231 1.00 4.45 C ATOM 0 H PHE A 35 0.408 -9.409 -7.948 1.00 1.51 H new ATOM 0 HA PHE A 35 -2.029 -11.040 -7.469 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.271 -9.290 -9.315 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -0.971 -10.108 -10.159 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -1.549 -11.676 -11.753 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -4.254 -10.932 -8.549 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -3.177 -13.206 -12.772 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -5.882 -12.463 -9.563 1.00 4.27 H new ATOM 0 HZ PHE A 35 -5.347 -13.605 -11.678 1.00 4.45 H new ATOM 589 N ARG A 36 0.905 -11.827 -7.674 1.00 1.65 N ATOM 590 CA ARG A 36 1.936 -12.848 -7.826 1.00 1.75 C ATOM 591 C ARG A 36 2.397 -13.374 -6.471 1.00 1.59 C ATOM 592 O ARG A 36 2.624 -12.601 -5.540 1.00 1.48 O ATOM 593 CB ARG A 36 3.120 -12.279 -8.609 1.00 1.73 C ATOM 594 CG ARG A 36 2.838 -12.089 -10.095 1.00 1.84 C ATOM 595 CD ARG A 36 3.044 -13.378 -10.880 1.00 2.25 C ATOM 596 NE ARG A 36 2.301 -14.508 -10.320 1.00 2.72 N ATOM 597 CZ ARG A 36 2.821 -15.723 -10.143 1.00 3.34 C ATOM 598 NH1 ARG A 36 4.066 -15.977 -10.525 1.00 3.59 N ATOM 599 NH2 ARG A 36 2.091 -16.681 -9.589 1.00 4.14 N ATOM 0 H ARG A 36 1.163 -11.058 -7.055 1.00 1.65 H new ATOM 0 HA ARG A 36 1.510 -13.685 -8.380 1.00 1.75 H new ATOM 0 HB2 ARG A 36 3.403 -11.319 -8.176 1.00 1.73 H new ATOM 0 HB3 ARG A 36 3.975 -12.945 -8.493 1.00 1.73 H new ATOM 0 HG2 ARG A 36 1.813 -11.742 -10.229 1.00 1.84 H new ATOM 0 HG3 ARG A 36 3.492 -11.313 -10.493 1.00 1.84 H new ATOM 0 HD2 ARG A 36 2.735 -13.222 -11.913 1.00 2.25 H new ATOM 0 HD3 ARG A 36 4.106 -13.621 -10.898 1.00 2.25 H new ATOM 0 HE ARG A 36 1.329 -14.357 -10.049 1.00 2.72 H new ATOM 0 HH11 ARG A 36 4.627 -15.242 -10.955 1.00 3.59 H new ATOM 0 HH12 ARG A 36 4.462 -16.907 -10.389 1.00 3.59 H new ATOM 0 HH21 ARG A 36 1.132 -16.488 -9.299 1.00 4.14 H new ATOM 0 HH22 ARG A 36 2.488 -17.611 -9.453 1.00 4.14 H new ATOM 613 N THR A 37 2.563 -14.689 -6.378 1.00 1.75 N ATOM 614 CA THR A 37 2.886 -15.339 -5.118 1.00 1.72 C ATOM 615 C THR A 37 4.354 -15.148 -4.770 1.00 1.37 C ATOM 616 O THR A 37 5.215 -15.166 -5.653 1.00 1.37 O ATOM 617 CB THR A 37 2.567 -16.850 -5.167 1.00 2.19 C ATOM 618 OG1 THR A 37 3.300 -17.481 -6.228 1.00 2.53 O ATOM 619 CG2 THR A 37 1.076 -17.083 -5.367 1.00 2.68 C ATOM 0 H THR A 37 2.478 -15.328 -7.168 1.00 1.75 H new ATOM 0 HA THR A 37 2.269 -14.873 -4.349 1.00 1.72 H new ATOM 0 HB THR A 37 2.865 -17.288 -4.214 1.00 2.19 H new ATOM 0 HG1 THR A 37 3.090 -18.438 -6.247 1.00 2.53 H new ATOM 0 HG21 THR A 37 0.876 -18.154 -5.398 1.00 2.68 H new ATOM 0 HG22 THR A 37 0.524 -16.635 -4.541 1.00 2.68 H new ATOM 0 HG23 THR A 37 0.759 -16.627 -6.305 1.00 2.68 H new ATOM 627 N THR A 38 4.616 -14.935 -3.479 1.00 1.24 N ATOM 628 CA THR A 38 5.967 -14.738 -2.941 1.00 1.07 C ATOM 629 C THR A 38 6.706 -13.594 -3.634 1.00 1.09 C ATOM 630 O THR A 38 7.931 -13.490 -3.557 1.00 1.38 O ATOM 631 CB THR A 38 6.821 -16.025 -2.987 1.00 1.16 C ATOM 632 OG1 THR A 38 6.902 -16.550 -4.319 1.00 1.42 O ATOM 633 CG2 THR A 38 6.246 -17.082 -2.060 1.00 1.37 C ATOM 0 H THR A 38 3.887 -14.894 -2.767 1.00 1.24 H new ATOM 0 HA THR A 38 5.825 -14.469 -1.894 1.00 1.07 H new ATOM 0 HB THR A 38 7.825 -15.762 -2.655 1.00 1.16 H new ATOM 0 HG1 THR A 38 6.616 -15.865 -4.959 1.00 1.42 H new ATOM 0 HG21 THR A 38 6.861 -17.980 -2.107 1.00 1.37 H new ATOM 0 HG22 THR A 38 6.235 -16.703 -1.038 1.00 1.37 H new ATOM 0 HG23 THR A 38 5.229 -17.323 -2.369 1.00 1.37 H new ATOM 641 N LYS A 39 5.950 -12.739 -4.298 1.00 0.96 N ATOM 642 CA LYS A 39 6.488 -11.507 -4.849 1.00 1.09 C ATOM 643 C LYS A 39 5.923 -10.333 -4.067 1.00 1.22 C ATOM 644 O LYS A 39 6.660 -9.580 -3.427 1.00 1.97 O ATOM 645 CB LYS A 39 6.129 -11.357 -6.334 1.00 1.15 C ATOM 646 CG LYS A 39 6.736 -10.114 -6.974 1.00 1.49 C ATOM 647 CD LYS A 39 6.056 -9.759 -8.287 1.00 1.66 C ATOM 648 CE LYS A 39 6.694 -8.542 -8.942 1.00 2.28 C ATOM 649 NZ LYS A 39 8.110 -8.780 -9.331 1.00 2.90 N ATOM 0 H LYS A 39 4.954 -12.876 -4.470 1.00 0.96 H new ATOM 0 HA LYS A 39 7.575 -11.532 -4.767 1.00 1.09 H new ATOM 0 HB2 LYS A 39 6.470 -12.240 -6.875 1.00 1.15 H new ATOM 0 HB3 LYS A 39 5.045 -11.319 -6.437 1.00 1.15 H new ATOM 0 HG2 LYS A 39 6.653 -9.274 -6.284 1.00 1.49 H new ATOM 0 HG3 LYS A 39 7.799 -10.279 -7.149 1.00 1.49 H new ATOM 0 HD2 LYS A 39 6.112 -10.609 -8.967 1.00 1.66 H new ATOM 0 HD3 LYS A 39 4.999 -9.563 -8.108 1.00 1.66 H new ATOM 0 HE2 LYS A 39 6.119 -8.266 -9.826 1.00 2.28 H new ATOM 0 HE3 LYS A 39 6.647 -7.697 -8.255 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 8.393 -8.086 -10.052 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 8.721 -8.681 -8.495 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 8.207 -9.740 -9.718 1.00 2.90 H new ATOM 663 N VAL A 40 4.600 -10.205 -4.127 1.00 1.04 N ATOM 664 CA VAL A 40 3.870 -9.147 -3.438 1.00 1.22 C ATOM 665 C VAL A 40 2.421 -9.564 -3.229 1.00 1.42 C ATOM 666 O VAL A 40 1.541 -8.724 -3.075 1.00 1.83 O ATOM 667 CB VAL A 40 3.906 -7.817 -4.226 1.00 1.30 C ATOM 668 CG1 VAL A 40 5.112 -6.997 -3.815 1.00 1.78 C ATOM 669 CG2 VAL A 40 3.919 -8.075 -5.725 1.00 1.40 C ATOM 0 H VAL A 40 4.001 -10.837 -4.659 1.00 1.04 H new ATOM 0 HA VAL A 40 4.357 -8.988 -2.476 1.00 1.22 H new ATOM 0 HB VAL A 40 3.004 -7.253 -3.990 1.00 1.30 H new ATOM 0 HG11 VAL A 40 5.126 -6.063 -4.377 1.00 1.78 H new ATOM 0 HG12 VAL A 40 5.057 -6.778 -2.749 1.00 1.78 H new ATOM 0 HG13 VAL A 40 6.022 -7.559 -4.023 1.00 1.78 H new ATOM 0 HG21 VAL A 40 3.944 -7.124 -6.258 1.00 1.40 H new ATOM 0 HG22 VAL A 40 4.801 -8.661 -5.986 1.00 1.40 H new ATOM 0 HG23 VAL A 40 3.021 -8.625 -6.007 1.00 1.40 H new ATOM 679 N GLY A 41 2.189 -10.869 -3.174 1.00 1.42 N ATOM 680 CA GLY A 41 0.829 -11.370 -3.157 1.00 1.82 C ATOM 681 C GLY A 41 0.734 -12.832 -2.766 1.00 1.67 C ATOM 682 O GLY A 41 -0.092 -13.571 -3.304 1.00 2.17 O ATOM 0 H GLY A 41 2.914 -11.586 -3.141 1.00 1.42 H new ATOM 0 HA2 GLY A 41 0.239 -10.775 -2.460 1.00 1.82 H new ATOM 0 HA3 GLY A 41 0.387 -11.235 -4.144 1.00 1.82 H new ATOM 686 N ALA A 42 1.586 -13.259 -1.844 1.00 1.12 N ATOM 687 CA ALA A 42 1.474 -14.593 -1.261 1.00 1.00 C ATOM 688 C ALA A 42 0.278 -14.640 -0.308 1.00 1.01 C ATOM 689 O ALA A 42 -0.310 -13.598 -0.021 1.00 1.09 O ATOM 690 CB ALA A 42 2.756 -14.956 -0.529 1.00 0.80 C ATOM 0 H ALA A 42 2.362 -12.704 -1.483 1.00 1.12 H new ATOM 0 HA ALA A 42 1.318 -15.321 -2.057 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.660 -15.953 -0.099 1.00 0.80 H new ATOM 0 HB2 ALA A 42 3.591 -14.942 -1.229 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.938 -14.234 0.267 1.00 0.80 H new ATOM 696 N PRO A 43 -0.115 -15.838 0.183 1.00 1.05 N ATOM 697 CA PRO A 43 -1.225 -15.980 1.141 1.00 1.15 C ATOM 698 C PRO A 43 -0.946 -15.303 2.489 1.00 1.08 C ATOM 699 O PRO A 43 -0.766 -15.970 3.510 1.00 1.40 O ATOM 700 CB PRO A 43 -1.364 -17.500 1.324 1.00 1.29 C ATOM 701 CG PRO A 43 -0.658 -18.097 0.155 1.00 1.48 C ATOM 702 CD PRO A 43 0.452 -17.147 -0.179 1.00 1.11 C ATOM 0 HA PRO A 43 -2.129 -15.497 0.769 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -0.918 -17.827 2.263 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -2.412 -17.800 1.348 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -0.267 -19.085 0.397 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -1.335 -18.220 -0.690 1.00 1.48 H new ATOM 0 HD2 PRO A 43 1.356 -17.367 0.389 1.00 1.11 H new ATOM 0 HD3 PRO A 43 0.719 -17.193 -1.235 1.00 1.11 H new ATOM 710 N LEU A 44 -0.884 -13.978 2.462 1.00 0.87 N ATOM 711 CA LEU A 44 -0.744 -13.162 3.659 1.00 0.85 C ATOM 712 C LEU A 44 -0.819 -11.682 3.298 1.00 0.81 C ATOM 713 O LEU A 44 -1.880 -11.062 3.386 1.00 1.24 O ATOM 714 CB LEU A 44 0.572 -13.456 4.386 1.00 0.95 C ATOM 715 CG LEU A 44 0.838 -12.584 5.615 1.00 1.26 C ATOM 716 CD1 LEU A 44 -0.270 -12.752 6.645 1.00 1.75 C ATOM 717 CD2 LEU A 44 2.183 -12.931 6.227 1.00 1.66 C ATOM 0 H LEU A 44 -0.930 -13.435 1.600 1.00 0.87 H new ATOM 0 HA LEU A 44 -1.565 -13.412 4.331 1.00 0.85 H new ATOM 0 HB2 LEU A 44 0.575 -14.502 4.693 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.395 -13.328 3.683 1.00 0.95 H new ATOM 0 HG LEU A 44 0.856 -11.541 5.298 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.061 -12.123 7.510 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.223 -12.459 6.205 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -0.321 -13.795 6.958 1.00 1.75 H new ATOM 0 HD21 LEU A 44 2.358 -12.303 7.100 1.00 1.66 H new ATOM 0 HD22 LEU A 44 2.187 -13.979 6.527 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.971 -12.761 5.494 1.00 1.66 H new ATOM 729 N GLY A 45 0.316 -11.118 2.899 1.00 0.61 N ATOM 730 CA GLY A 45 0.349 -9.741 2.465 1.00 0.75 C ATOM 731 C GLY A 45 0.550 -8.777 3.614 1.00 0.61 C ATOM 732 O GLY A 45 1.517 -8.019 3.642 1.00 0.61 O ATOM 0 H GLY A 45 1.216 -11.596 2.870 1.00 0.61 H new ATOM 0 HA2 GLY A 45 1.153 -9.611 1.741 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.583 -9.502 1.953 1.00 0.75 H new ATOM 736 N VAL A 46 -0.357 -8.818 4.571 1.00 0.54 N ATOM 737 CA VAL A 46 -0.333 -7.899 5.695 1.00 0.45 C ATOM 738 C VAL A 46 -0.594 -8.634 7.004 1.00 0.47 C ATOM 739 O VAL A 46 -1.465 -9.502 7.080 1.00 0.60 O ATOM 740 CB VAL A 46 -1.389 -6.779 5.533 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.430 -5.889 6.766 1.00 0.52 C ATOM 742 CG2 VAL A 46 -1.110 -5.947 4.292 1.00 0.49 C ATOM 0 H VAL A 46 -1.128 -9.485 4.593 1.00 0.54 H new ATOM 0 HA VAL A 46 0.661 -7.452 5.717 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.363 -7.254 5.418 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -2.180 -5.110 6.628 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.687 -6.489 7.639 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.453 -5.430 6.916 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.865 -5.167 4.200 1.00 0.49 H new ATOM 0 HG22 VAL A 46 -0.124 -5.490 4.375 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -1.140 -6.587 3.410 1.00 0.49 H new ATOM 752 N ASP A 47 0.163 -8.277 8.027 1.00 0.41 N ATOM 753 CA ASP A 47 -0.054 -8.791 9.363 1.00 0.49 C ATOM 754 C ASP A 47 -0.726 -7.717 10.195 1.00 0.52 C ATOM 755 O ASP A 47 -0.083 -6.771 10.649 1.00 0.57 O ATOM 756 CB ASP A 47 1.262 -9.217 10.014 1.00 0.58 C ATOM 757 CG ASP A 47 1.084 -9.634 11.462 1.00 0.79 C ATOM 758 OD1 ASP A 47 0.601 -10.760 11.703 1.00 1.11 O ATOM 759 OD2 ASP A 47 1.427 -8.841 12.361 1.00 0.95 O ATOM 0 H ASP A 47 0.943 -7.624 7.953 1.00 0.41 H new ATOM 0 HA ASP A 47 -0.692 -9.673 9.305 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.691 -10.045 9.451 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.974 -8.393 9.961 1.00 0.58 H new ATOM 764 N LYS A 48 -2.033 -7.843 10.330 1.00 0.63 N ATOM 765 CA LYS A 48 -2.834 -6.876 11.069 1.00 0.79 C ATOM 766 C LYS A 48 -2.756 -7.129 12.572 1.00 0.85 C ATOM 767 O LYS A 48 -3.240 -6.330 13.375 1.00 1.06 O ATOM 768 CB LYS A 48 -4.282 -6.906 10.573 1.00 1.01 C ATOM 769 CG LYS A 48 -4.914 -8.288 10.592 1.00 1.38 C ATOM 770 CD LYS A 48 -6.115 -8.358 9.661 1.00 1.34 C ATOM 771 CE LYS A 48 -5.695 -8.282 8.199 1.00 2.06 C ATOM 772 NZ LYS A 48 -4.968 -9.506 7.764 1.00 2.81 N ATOM 0 H LYS A 48 -2.571 -8.614 9.934 1.00 0.63 H new ATOM 0 HA LYS A 48 -2.429 -5.880 10.889 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.880 -6.236 11.190 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.315 -6.517 9.555 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -4.176 -9.032 10.294 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -5.223 -8.535 11.608 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -6.659 -9.286 9.836 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -6.799 -7.540 9.887 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -6.578 -8.143 7.575 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -5.059 -7.410 8.049 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -4.894 -9.515 6.727 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -4.015 -9.510 8.179 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -5.487 -10.349 8.082 1.00 2.81 H new ATOM 786 N LYS A 49 -2.158 -8.255 12.942 1.00 0.80 N ATOM 787 CA LYS A 49 -1.985 -8.614 14.335 1.00 0.97 C ATOM 788 C LYS A 49 -0.993 -7.670 15.014 1.00 1.14 C ATOM 789 O LYS A 49 -1.307 -7.051 16.031 1.00 1.32 O ATOM 790 CB LYS A 49 -1.503 -10.061 14.437 1.00 1.08 C ATOM 791 CG LYS A 49 -0.994 -10.429 15.814 1.00 1.35 C ATOM 792 CD LYS A 49 -0.637 -11.904 15.921 1.00 1.66 C ATOM 793 CE LYS A 49 -1.825 -12.793 15.588 1.00 2.40 C ATOM 794 NZ LYS A 49 -1.557 -14.218 15.905 1.00 3.17 N ATOM 0 H LYS A 49 -1.783 -8.939 12.285 1.00 0.80 H new ATOM 0 HA LYS A 49 -2.943 -8.522 14.846 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -2.322 -10.729 14.170 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -0.709 -10.224 13.709 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -0.116 -9.827 16.048 1.00 1.35 H new ATOM 0 HG3 LYS A 49 -1.754 -10.186 16.557 1.00 1.35 H new ATOM 0 HD2 LYS A 49 0.188 -12.129 15.245 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -0.290 -12.123 16.931 1.00 1.66 H new ATOM 0 HE2 LYS A 49 -2.699 -12.455 16.146 1.00 2.40 H new ATOM 0 HE3 LYS A 49 -2.066 -12.696 14.529 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 -2.391 -14.790 15.663 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -0.739 -14.548 15.354 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 -1.353 -14.315 16.920 1.00 3.17 H new ATOM 808 N GLY A 50 0.201 -7.573 14.451 1.00 1.22 N ATOM 809 CA GLY A 50 1.206 -6.682 14.987 1.00 1.53 C ATOM 810 C GLY A 50 1.284 -5.392 14.202 1.00 1.14 C ATOM 811 O GLY A 50 1.164 -4.303 14.769 1.00 1.29 O ATOM 0 H GLY A 50 0.493 -8.099 13.627 1.00 1.22 H new ATOM 0 HA2 GLY A 50 0.978 -6.461 16.030 1.00 1.53 H new ATOM 0 HA3 GLY A 50 2.177 -7.177 14.972 1.00 1.53 H new ATOM 815 N GLY A 51 1.466 -5.515 12.895 1.00 0.77 N ATOM 816 CA GLY A 51 1.561 -4.346 12.046 1.00 0.65 C ATOM 817 C GLY A 51 2.740 -4.409 11.096 1.00 0.56 C ATOM 818 O GLY A 51 3.659 -3.594 11.186 1.00 0.60 O ATOM 0 H GLY A 51 1.550 -6.407 12.407 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.641 -4.244 11.471 1.00 0.65 H new ATOM 0 HA3 GLY A 51 1.648 -3.456 12.669 1.00 0.65 H new ATOM 822 N ARG A 52 2.720 -5.377 10.184 1.00 0.51 N ATOM 823 CA ARG A 52 3.795 -5.527 9.208 1.00 0.53 C ATOM 824 C ARG A 52 3.281 -6.114 7.892 1.00 0.50 C ATOM 825 O ARG A 52 2.438 -7.002 7.892 1.00 0.60 O ATOM 826 CB ARG A 52 4.901 -6.403 9.795 1.00 0.68 C ATOM 827 CG ARG A 52 4.389 -7.698 10.401 1.00 1.04 C ATOM 828 CD ARG A 52 5.398 -8.281 11.369 1.00 1.42 C ATOM 829 NE ARG A 52 4.907 -9.485 12.041 1.00 2.14 N ATOM 830 CZ ARG A 52 5.488 -10.024 13.116 1.00 2.80 C ATOM 831 NH1 ARG A 52 6.560 -9.451 13.652 1.00 2.98 N ATOM 832 NH2 ARG A 52 4.991 -11.125 13.664 1.00 3.72 N ATOM 0 H ARG A 52 1.974 -6.067 10.100 1.00 0.51 H new ATOM 0 HA ARG A 52 4.198 -4.539 8.985 1.00 0.53 H new ATOM 0 HB2 ARG A 52 5.622 -6.637 9.012 1.00 0.68 H new ATOM 0 HB3 ARG A 52 5.434 -5.838 10.560 1.00 0.68 H new ATOM 0 HG2 ARG A 52 3.447 -7.514 10.919 1.00 1.04 H new ATOM 0 HG3 ARG A 52 4.182 -8.417 9.609 1.00 1.04 H new ATOM 0 HD2 ARG A 52 6.316 -8.519 10.831 1.00 1.42 H new ATOM 0 HD3 ARG A 52 5.653 -7.531 12.117 1.00 1.42 H new ATOM 0 HE ARG A 52 4.073 -9.938 11.667 1.00 2.14 H new ATOM 0 HH11 ARG A 52 6.941 -8.598 13.243 1.00 2.98 H new ATOM 0 HH12 ARG A 52 7.002 -9.864 14.473 1.00 2.98 H new ATOM 0 HH21 ARG A 52 4.161 -11.564 13.264 1.00 3.72 H new ATOM 0 HH22 ARG A 52 5.438 -11.533 14.485 1.00 3.72 H new ATOM 846 N TRP A 53 3.787 -5.604 6.773 1.00 0.52 N ATOM 847 CA TRP A 53 3.381 -6.084 5.445 1.00 0.53 C ATOM 848 C TRP A 53 4.381 -7.103 4.915 1.00 0.57 C ATOM 849 O TRP A 53 5.482 -6.732 4.524 1.00 0.73 O ATOM 850 CB TRP A 53 3.302 -4.925 4.438 1.00 0.65 C ATOM 851 CG TRP A 53 2.218 -3.922 4.696 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.678 -3.576 5.898 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.554 -3.117 3.714 1.00 0.73 C ATOM 854 NE1 TRP A 53 0.715 -2.614 5.725 1.00 0.68 N ATOM 855 CE2 TRP A 53 0.617 -2.317 4.393 1.00 0.82 C ATOM 856 CE3 TRP A 53 1.657 -3.002 2.325 1.00 0.95 C ATOM 857 CZ2 TRP A 53 -0.207 -1.410 3.732 1.00 1.11 C ATOM 858 CZ3 TRP A 53 0.838 -2.102 1.669 1.00 1.20 C ATOM 859 CH2 TRP A 53 -0.085 -1.319 2.372 1.00 1.28 C ATOM 0 H TRP A 53 4.481 -4.857 6.754 1.00 0.52 H new ATOM 0 HA TRP A 53 2.398 -6.543 5.556 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.260 -4.406 4.432 1.00 0.65 H new ATOM 0 HB3 TRP A 53 3.159 -5.341 3.441 1.00 0.65 H new ATOM 0 HD1 TRP A 53 1.966 -3.998 6.849 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.162 -2.189 6.469 1.00 0.68 H new ATOM 0 HE3 TRP A 53 2.364 -3.605 1.774 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.916 -0.801 4.273 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 0.912 -2.001 0.596 1.00 1.20 H new ATOM 0 HH2 TRP A 53 -0.714 -0.629 1.830 1.00 1.28 H new ATOM 870 N TYR A 54 4.001 -8.372 4.870 1.00 0.49 N ATOM 871 CA TYR A 54 4.902 -9.408 4.382 1.00 0.58 C ATOM 872 C TYR A 54 4.125 -10.634 3.924 1.00 0.49 C ATOM 873 O TYR A 54 2.905 -10.696 4.054 1.00 0.52 O ATOM 874 CB TYR A 54 5.947 -9.787 5.444 1.00 0.75 C ATOM 875 CG TYR A 54 5.413 -10.544 6.643 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.932 -11.788 6.978 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.408 -10.016 7.444 1.00 0.61 C ATOM 878 CE1 TYR A 54 5.468 -12.482 8.077 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.937 -10.708 8.542 1.00 0.95 C ATOM 880 CZ TYR A 54 4.471 -11.939 8.855 1.00 1.20 C ATOM 881 OH TYR A 54 4.007 -12.626 9.952 1.00 1.66 O ATOM 0 H TYR A 54 3.083 -8.708 5.163 1.00 0.49 H new ATOM 0 HA TYR A 54 5.435 -9.003 3.522 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.719 -10.392 4.969 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.428 -8.875 5.797 1.00 0.75 H new ATOM 0 HD1 TYR A 54 6.712 -12.220 6.368 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.989 -9.050 7.204 1.00 0.61 H new ATOM 0 HE1 TYR A 54 5.885 -13.447 8.325 1.00 1.06 H new ATOM 0 HE2 TYR A 54 3.153 -10.286 9.153 1.00 0.95 H new ATOM 0 HH TYR A 54 3.305 -12.103 10.392 1.00 1.66 H new ATOM 891 N GLU A 55 4.838 -11.607 3.388 1.00 0.52 N ATOM 892 CA GLU A 55 4.213 -12.777 2.808 1.00 0.56 C ATOM 893 C GLU A 55 4.857 -14.044 3.338 1.00 0.62 C ATOM 894 O GLU A 55 6.018 -14.029 3.755 1.00 0.81 O ATOM 895 CB GLU A 55 4.368 -12.737 1.291 1.00 0.73 C ATOM 896 CG GLU A 55 3.786 -11.503 0.640 1.00 0.81 C ATOM 897 CD GLU A 55 4.408 -11.255 -0.709 1.00 1.51 C ATOM 898 OE1 GLU A 55 4.064 -11.989 -1.658 1.00 1.94 O ATOM 899 OE2 GLU A 55 5.215 -10.309 -0.827 1.00 2.12 O ATOM 0 H GLU A 55 5.857 -11.608 3.343 1.00 0.52 H new ATOM 0 HA GLU A 55 3.157 -12.776 3.078 1.00 0.56 H new ATOM 0 HB2 GLU A 55 5.428 -12.799 1.044 1.00 0.73 H new ATOM 0 HB3 GLU A 55 3.889 -13.619 0.865 1.00 0.73 H new ATOM 0 HG2 GLU A 55 2.708 -11.620 0.530 1.00 0.81 H new ATOM 0 HG3 GLU A 55 3.949 -10.638 1.283 1.00 0.81 H new ATOM 906 N ILE A 56 4.110 -15.135 3.315 1.00 0.63 N ATOM 907 CA ILE A 56 4.672 -16.433 3.631 1.00 0.68 C ATOM 908 C ILE A 56 5.442 -16.931 2.423 1.00 0.70 C ATOM 909 O ILE A 56 4.852 -17.366 1.433 1.00 0.80 O ATOM 910 CB ILE A 56 3.591 -17.474 3.998 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.651 -16.926 5.076 1.00 0.90 C ATOM 912 CG2 ILE A 56 4.244 -18.772 4.463 1.00 0.92 C ATOM 913 CD1 ILE A 56 3.359 -16.488 6.338 1.00 0.90 C ATOM 0 H ILE A 56 3.117 -15.146 3.082 1.00 0.63 H new ATOM 0 HA ILE A 56 5.320 -16.314 4.499 1.00 0.68 H new ATOM 0 HB ILE A 56 2.998 -17.683 3.108 1.00 0.83 H new ATOM 0 HG12 ILE A 56 2.099 -16.079 4.668 1.00 0.90 H new ATOM 0 HG13 ILE A 56 1.918 -17.692 5.329 1.00 0.90 H new ATOM 0 HG21 ILE A 56 3.471 -19.497 4.719 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.867 -19.173 3.663 1.00 0.92 H new ATOM 0 HG23 ILE A 56 4.861 -18.575 5.340 1.00 0.92 H new ATOM 0 HD11 ILE A 56 2.628 -16.112 7.054 1.00 0.90 H new ATOM 0 HD12 ILE A 56 3.888 -17.337 6.772 1.00 0.90 H new ATOM 0 HD13 ILE A 56 4.072 -15.699 6.100 1.00 0.90 H new ATOM 925 N ASP A 57 6.755 -16.834 2.490 1.00 0.65 N ATOM 926 CA ASP A 57 7.588 -17.228 1.372 1.00 0.72 C ATOM 927 C ASP A 57 8.012 -18.678 1.527 1.00 0.76 C ATOM 928 O ASP A 57 8.174 -19.169 2.646 1.00 0.96 O ATOM 929 CB ASP A 57 8.808 -16.318 1.259 1.00 0.84 C ATOM 930 CG ASP A 57 9.548 -16.523 -0.045 1.00 1.35 C ATOM 931 OD1 ASP A 57 9.396 -15.680 -0.949 1.00 1.71 O ATOM 932 OD2 ASP A 57 10.288 -17.521 -0.163 1.00 1.97 O ATOM 0 H ASP A 57 7.266 -16.488 3.302 1.00 0.65 H new ATOM 0 HA ASP A 57 7.010 -17.129 0.454 1.00 0.72 H new ATOM 0 HB2 ASP A 57 8.493 -15.277 1.338 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.483 -16.511 2.093 1.00 0.84 H new ATOM 937 N GLU A 58 8.222 -19.345 0.405 1.00 0.87 N ATOM 938 CA GLU A 58 8.415 -20.785 0.391 1.00 1.01 C ATOM 939 C GLU A 58 9.833 -21.194 0.771 1.00 1.04 C ATOM 940 O GLU A 58 10.118 -22.384 0.921 1.00 1.17 O ATOM 941 CB GLU A 58 8.044 -21.343 -0.981 1.00 1.35 C ATOM 942 CG GLU A 58 8.795 -20.682 -2.121 1.00 1.54 C ATOM 943 CD GLU A 58 8.320 -21.154 -3.475 1.00 2.04 C ATOM 944 OE1 GLU A 58 7.350 -20.574 -4.014 1.00 2.43 O ATOM 945 OE2 GLU A 58 8.910 -22.114 -4.009 1.00 2.21 O ATOM 0 H GLU A 58 8.263 -18.908 -0.516 1.00 0.87 H new ATOM 0 HA GLU A 58 7.757 -21.209 1.150 1.00 1.01 H new ATOM 0 HB2 GLU A 58 8.244 -22.414 -0.996 1.00 1.35 H new ATOM 0 HB3 GLU A 58 6.973 -21.217 -1.139 1.00 1.35 H new ATOM 0 HG2 GLU A 58 8.674 -19.601 -2.053 1.00 1.54 H new ATOM 0 HG3 GLU A 58 9.860 -20.891 -2.020 1.00 1.54 H new ATOM 952 N GLN A 59 10.733 -20.231 0.923 1.00 1.10 N ATOM 953 CA GLN A 59 12.041 -20.553 1.482 1.00 1.36 C ATOM 954 C GLN A 59 12.022 -20.409 3.009 1.00 1.39 C ATOM 955 O GLN A 59 13.057 -20.505 3.670 1.00 1.70 O ATOM 956 CB GLN A 59 13.181 -19.731 0.841 1.00 1.60 C ATOM 957 CG GLN A 59 12.970 -18.221 0.781 1.00 1.69 C ATOM 958 CD GLN A 59 12.766 -17.594 2.138 1.00 1.62 C ATOM 959 OE1 GLN A 59 13.721 -17.227 2.820 1.00 2.39 O ATOM 960 NE2 GLN A 59 11.513 -17.448 2.525 1.00 1.40 N ATOM 0 H GLN A 59 10.591 -19.251 0.677 1.00 1.10 H new ATOM 0 HA GLN A 59 12.252 -21.595 1.239 1.00 1.36 H new ATOM 0 HB2 GLN A 59 14.099 -19.927 1.396 1.00 1.60 H new ATOM 0 HB3 GLN A 59 13.338 -20.096 -0.174 1.00 1.60 H new ATOM 0 HG2 GLN A 59 13.833 -17.759 0.301 1.00 1.69 H new ATOM 0 HG3 GLN A 59 12.104 -18.006 0.155 1.00 1.69 H new ATOM 0 HE21 GLN A 59 10.753 -17.768 1.925 1.00 1.40 H new ATOM 0 HE22 GLN A 59 11.304 -17.015 3.425 1.00 1.40 H new ATOM 969 N GLY A 60 10.830 -20.178 3.562 1.00 1.19 N ATOM 970 CA GLY A 60 10.677 -20.106 5.005 1.00 1.39 C ATOM 971 C GLY A 60 10.320 -18.718 5.515 1.00 1.45 C ATOM 972 O GLY A 60 11.093 -18.120 6.260 1.00 2.29 O ATOM 0 H GLY A 60 9.968 -20.040 3.034 1.00 1.19 H new ATOM 0 HA2 GLY A 60 9.902 -20.807 5.314 1.00 1.39 H new ATOM 0 HA3 GLY A 60 11.605 -20.429 5.476 1.00 1.39 H new ATOM 976 N GLU A 61 9.158 -18.214 5.089 1.00 1.11 N ATOM 977 CA GLU A 61 8.576 -16.967 5.619 1.00 1.15 C ATOM 978 C GLU A 61 9.595 -15.836 5.758 1.00 1.26 C ATOM 979 O GLU A 61 9.725 -15.241 6.827 1.00 1.72 O ATOM 980 CB GLU A 61 7.938 -17.229 6.983 1.00 1.33 C ATOM 981 CG GLU A 61 6.800 -18.230 6.949 1.00 1.38 C ATOM 982 CD GLU A 61 6.301 -18.564 8.334 1.00 1.69 C ATOM 983 OE1 GLU A 61 6.779 -19.554 8.924 1.00 1.77 O ATOM 984 OE2 GLU A 61 5.418 -17.839 8.840 1.00 2.31 O ATOM 0 H GLU A 61 8.590 -18.656 4.366 1.00 1.11 H new ATOM 0 HA GLU A 61 7.828 -16.645 4.894 1.00 1.15 H new ATOM 0 HB2 GLU A 61 8.705 -17.590 7.668 1.00 1.33 H new ATOM 0 HB3 GLU A 61 7.568 -16.287 7.386 1.00 1.33 H new ATOM 0 HG2 GLU A 61 5.980 -17.827 6.355 1.00 1.38 H new ATOM 0 HG3 GLU A 61 7.134 -19.142 6.454 1.00 1.38 H new ATOM 991 N GLU A 62 10.297 -15.517 4.686 1.00 1.06 N ATOM 992 CA GLU A 62 11.304 -14.468 4.753 1.00 1.20 C ATOM 993 C GLU A 62 11.072 -13.448 3.649 1.00 1.00 C ATOM 994 O GLU A 62 11.603 -13.565 2.547 1.00 1.08 O ATOM 995 CB GLU A 62 12.712 -15.066 4.671 1.00 1.54 C ATOM 996 CG GLU A 62 13.800 -14.208 5.307 1.00 1.98 C ATOM 997 CD GLU A 62 13.980 -12.862 4.632 1.00 2.16 C ATOM 998 OE1 GLU A 62 13.519 -11.850 5.193 1.00 2.61 O ATOM 999 OE2 GLU A 62 14.585 -12.815 3.539 1.00 2.56 O ATOM 0 H GLU A 62 10.194 -15.959 3.772 1.00 1.06 H new ATOM 0 HA GLU A 62 11.217 -13.957 5.712 1.00 1.20 H new ATOM 0 HB2 GLU A 62 12.707 -16.043 5.155 1.00 1.54 H new ATOM 0 HB3 GLU A 62 12.963 -15.231 3.623 1.00 1.54 H new ATOM 0 HG2 GLU A 62 13.559 -14.049 6.358 1.00 1.98 H new ATOM 0 HG3 GLU A 62 14.745 -14.751 5.275 1.00 1.98 H new ATOM 1006 N HIS A 63 10.197 -12.502 3.933 1.00 0.90 N ATOM 1007 CA HIS A 63 9.976 -11.365 3.057 1.00 0.85 C ATOM 1008 C HIS A 63 10.177 -10.079 3.833 1.00 0.92 C ATOM 1009 O HIS A 63 10.095 -10.077 5.062 1.00 1.22 O ATOM 1010 CB HIS A 63 8.570 -11.396 2.458 1.00 0.96 C ATOM 1011 CG HIS A 63 8.540 -11.822 1.025 1.00 1.85 C ATOM 1012 ND1 HIS A 63 8.118 -10.999 0.001 1.00 2.82 N ATOM 1013 CD2 HIS A 63 8.869 -12.997 0.446 1.00 2.22 C ATOM 1014 CE1 HIS A 63 8.189 -11.653 -1.141 1.00 3.72 C ATOM 1015 NE2 HIS A 63 8.644 -12.866 -0.898 1.00 3.37 N ATOM 0 H HIS A 63 9.621 -12.499 4.774 1.00 0.90 H new ATOM 0 HA HIS A 63 10.694 -11.416 2.239 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.949 -12.075 3.043 1.00 0.96 H new ATOM 0 HB3 HIS A 63 8.126 -10.404 2.543 1.00 0.96 H new ATOM 0 HD2 HIS A 63 9.241 -13.877 0.950 1.00 2.22 H new ATOM 0 HE1 HIS A 63 7.920 -11.262 -2.111 1.00 3.72 H new ATOM 0 HE2 HIS A 63 8.803 -13.590 -1.598 1.00 3.37 H new ATOM 1024 N THR A 64 10.447 -8.997 3.126 1.00 0.97 N ATOM 1025 CA THR A 64 10.460 -7.688 3.745 1.00 1.01 C ATOM 1026 C THR A 64 9.087 -7.401 4.343 1.00 1.50 C ATOM 1027 O THR A 64 8.062 -7.792 3.773 1.00 2.27 O ATOM 1028 CB THR A 64 10.836 -6.591 2.729 1.00 1.03 C ATOM 1029 OG1 THR A 64 10.076 -6.758 1.522 1.00 1.77 O ATOM 1030 CG2 THR A 64 12.324 -6.631 2.407 1.00 1.44 C ATOM 0 H THR A 64 10.659 -9.000 2.128 1.00 0.97 H new ATOM 0 HA THR A 64 11.214 -7.683 4.532 1.00 1.01 H new ATOM 0 HB THR A 64 10.605 -5.623 3.174 1.00 1.03 H new ATOM 0 HG1 THR A 64 9.873 -5.879 1.139 1.00 1.77 H new ATOM 0 HG21 THR A 64 12.562 -5.847 1.688 1.00 1.44 H new ATOM 0 HG22 THR A 64 12.898 -6.473 3.320 1.00 1.44 H new ATOM 0 HG23 THR A 64 12.578 -7.602 1.982 1.00 1.44 H new ATOM 1038 N PHE A 65 9.058 -6.758 5.498 1.00 1.66 N ATOM 1039 CA PHE A 65 7.802 -6.497 6.175 1.00 2.32 C ATOM 1040 C PHE A 65 7.597 -5.006 6.398 1.00 1.96 C ATOM 1041 O PHE A 65 8.380 -4.353 7.086 1.00 2.43 O ATOM 1042 CB PHE A 65 7.705 -7.287 7.491 1.00 3.26 C ATOM 1043 CG PHE A 65 8.910 -7.186 8.389 1.00 4.27 C ATOM 1044 CD1 PHE A 65 10.040 -7.953 8.145 1.00 4.99 C ATOM 1045 CD2 PHE A 65 8.906 -6.339 9.484 1.00 4.69 C ATOM 1046 CE1 PHE A 65 11.141 -7.876 8.974 1.00 6.10 C ATOM 1047 CE2 PHE A 65 10.005 -6.256 10.316 1.00 5.77 C ATOM 1048 CZ PHE A 65 11.124 -7.025 10.061 1.00 6.48 C ATOM 0 H PHE A 65 9.885 -6.410 5.983 1.00 1.66 H new ATOM 0 HA PHE A 65 6.995 -6.843 5.528 1.00 2.32 H new ATOM 0 HB2 PHE A 65 6.831 -6.939 8.042 1.00 3.26 H new ATOM 0 HB3 PHE A 65 7.535 -8.337 7.254 1.00 3.26 H new ATOM 0 HD1 PHE A 65 10.058 -8.619 7.295 1.00 4.99 H new ATOM 0 HD2 PHE A 65 8.034 -5.736 9.690 1.00 4.69 H new ATOM 0 HE1 PHE A 65 12.013 -8.480 8.773 1.00 6.10 H new ATOM 0 HE2 PHE A 65 9.990 -5.590 11.166 1.00 5.77 H new ATOM 0 HZ PHE A 65 11.984 -6.961 10.711 1.00 6.48 H new ATOM 1058 N GLY A 66 6.539 -4.480 5.783 1.00 1.23 N ATOM 1059 CA GLY A 66 6.215 -3.071 5.889 1.00 0.93 C ATOM 1060 C GLY A 66 6.034 -2.647 7.320 1.00 0.80 C ATOM 1061 O GLY A 66 5.348 -3.318 8.088 1.00 0.96 O ATOM 0 H GLY A 66 5.893 -5.017 5.205 1.00 1.23 H new ATOM 0 HA2 GLY A 66 7.009 -2.480 5.432 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.302 -2.865 5.330 1.00 0.93 H new ATOM 1065 N LEU A 67 6.627 -1.530 7.674 1.00 0.64 N ATOM 1066 CA LEU A 67 6.677 -1.116 9.063 1.00 0.65 C ATOM 1067 C LEU A 67 5.499 -0.214 9.397 1.00 0.51 C ATOM 1068 O LEU A 67 5.579 1.008 9.280 1.00 0.54 O ATOM 1069 CB LEU A 67 8.020 -0.431 9.387 1.00 0.76 C ATOM 1070 CG LEU A 67 8.591 0.487 8.293 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.539 1.514 8.888 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.336 -0.322 7.245 1.00 1.14 C ATOM 0 H LEU A 67 7.082 -0.890 7.022 1.00 0.64 H new ATOM 0 HA LEU A 67 6.604 -2.006 9.688 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.895 0.156 10.297 1.00 0.76 H new ATOM 0 HB3 LEU A 67 8.756 -1.205 9.605 1.00 0.76 H new ATOM 0 HG LEU A 67 7.750 1.000 7.826 1.00 0.64 H new ATOM 0 HD11 LEU A 67 9.930 2.151 8.095 1.00 1.17 H new ATOM 0 HD12 LEU A 67 9.004 2.126 9.614 1.00 1.17 H new ATOM 0 HD13 LEU A 67 10.365 1.003 9.383 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.731 0.348 6.481 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.158 -0.859 7.717 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.654 -1.036 6.784 1.00 1.14 H new ATOM 1084 N ILE A 68 4.392 -0.824 9.795 1.00 0.43 N ATOM 1085 CA ILE A 68 3.195 -0.070 10.118 1.00 0.38 C ATOM 1086 C ILE A 68 3.358 0.635 11.455 1.00 0.45 C ATOM 1087 O ILE A 68 3.590 0.004 12.483 1.00 0.61 O ATOM 1088 CB ILE A 68 1.931 -0.951 10.180 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.738 -1.746 8.885 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.715 -0.080 10.444 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.543 -2.675 8.926 1.00 0.44 C ATOM 0 H ILE A 68 4.300 -1.834 9.901 1.00 0.43 H new ATOM 0 HA ILE A 68 3.065 0.654 9.313 1.00 0.38 H new ATOM 0 HB ILE A 68 2.053 -1.666 10.993 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.621 -1.051 8.054 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.637 -2.330 8.688 1.00 0.38 H new ATOM 0 HG21 ILE A 68 -0.177 -0.704 10.487 1.00 0.46 H new ATOM 0 HG22 ILE A 68 0.840 0.441 11.393 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.609 0.649 9.641 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.464 -3.208 7.978 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.668 -3.393 9.736 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.364 -2.094 9.093 1.00 0.44 H new ATOM 1103 N ARG A 69 3.234 1.947 11.426 1.00 0.43 N ATOM 1104 CA ARG A 69 3.337 2.753 12.623 1.00 0.55 C ATOM 1105 C ARG A 69 1.986 2.795 13.327 1.00 0.51 C ATOM 1106 O ARG A 69 1.915 2.885 14.547 1.00 0.67 O ATOM 1107 CB ARG A 69 3.781 4.175 12.269 1.00 0.70 C ATOM 1108 CG ARG A 69 4.947 4.230 11.294 1.00 1.19 C ATOM 1109 CD ARG A 69 6.181 3.539 11.846 1.00 0.74 C ATOM 1110 NE ARG A 69 7.319 4.448 11.922 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.563 4.070 12.205 1.00 1.35 C ATOM 1112 NH1 ARG A 69 8.835 2.795 12.451 1.00 2.00 N ATOM 1113 NH2 ARG A 69 9.534 4.972 12.241 1.00 1.83 N ATOM 0 H ARG A 69 3.060 2.481 10.575 1.00 0.43 H new ATOM 0 HA ARG A 69 4.079 2.309 13.286 1.00 0.55 H new ATOM 0 HB2 ARG A 69 2.936 4.713 11.840 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.060 4.697 13.184 1.00 0.70 H new ATOM 0 HG2 ARG A 69 4.657 3.759 10.355 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.183 5.270 11.069 1.00 1.19 H new ATOM 0 HD2 ARG A 69 5.964 3.144 12.838 1.00 0.74 H new ATOM 0 HD3 ARG A 69 6.436 2.689 11.213 1.00 0.74 H new ATOM 0 HE ARG A 69 7.150 5.439 11.747 1.00 1.08 H new ATOM 0 HH11 ARG A 69 8.089 2.100 12.424 1.00 2.00 H new ATOM 0 HH12 ARG A 69 9.790 2.510 12.667 1.00 2.00 H new ATOM 0 HH21 ARG A 69 9.326 5.953 12.052 1.00 1.83 H new ATOM 0 HH22 ARG A 69 10.489 4.685 12.458 1.00 1.83 H new ATOM 1127 N LYS A 70 0.914 2.718 12.543 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.435 2.796 13.085 1.00 0.41 C ATOM 1129 C LYS A 70 -1.466 2.216 12.124 1.00 0.35 C ATOM 1130 O LYS A 70 -1.599 2.678 10.990 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.797 4.250 13.415 1.00 0.53 C ATOM 1132 CG LYS A 70 -2.290 4.475 13.611 1.00 0.62 C ATOM 1133 CD LYS A 70 -2.597 5.853 14.175 1.00 0.99 C ATOM 1134 CE LYS A 70 -2.079 6.969 13.284 1.00 1.08 C ATOM 1135 NZ LYS A 70 -2.519 8.306 13.763 1.00 1.53 N ATOM 0 H LYS A 70 0.956 2.602 11.531 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.451 2.201 13.998 1.00 0.41 H new ATOM 0 HB2 LYS A 70 -0.270 4.550 14.321 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.443 4.896 12.611 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.802 4.353 12.656 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -2.685 3.713 14.284 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -3.675 5.961 14.299 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -2.151 5.945 15.165 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -0.990 6.934 13.253 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -2.432 6.814 12.264 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -2.146 9.042 13.130 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -3.558 8.348 13.768 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -2.161 8.465 14.726 1.00 1.53 H new ATOM 1149 N VAL A 71 -2.170 1.188 12.584 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.362 0.705 11.902 1.00 0.36 C ATOM 1151 C VAL A 71 -4.582 1.272 12.619 1.00 0.37 C ATOM 1152 O VAL A 71 -4.967 0.779 13.679 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.459 -0.843 11.893 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.702 -1.297 11.145 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -2.218 -1.482 11.284 1.00 0.77 C ATOM 0 H VAL A 71 -1.933 0.672 13.431 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.313 1.033 10.864 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.529 -1.170 12.930 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.752 -2.386 11.150 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.588 -0.891 11.632 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.658 -0.940 10.116 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -2.324 -2.567 11.296 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -2.100 -1.140 10.256 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -1.340 -1.197 11.864 1.00 0.77 H new ATOM 1165 N ASP A 72 -5.168 2.324 12.069 1.00 0.33 N ATOM 1166 CA ASP A 72 -6.237 3.029 12.763 1.00 0.36 C ATOM 1167 C ASP A 72 -7.577 2.771 12.100 1.00 0.35 C ATOM 1168 O ASP A 72 -8.130 3.667 11.460 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.967 4.534 12.798 1.00 0.41 C ATOM 1170 CG ASP A 72 -6.529 5.189 14.045 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -7.715 5.587 14.040 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -5.788 5.308 15.045 1.00 1.42 O ATOM 0 H ASP A 72 -4.926 2.706 11.155 1.00 0.33 H new ATOM 0 HA ASP A 72 -6.268 2.650 13.785 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.892 4.710 12.751 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.405 5.000 11.916 1.00 0.41 H new ATOM 1177 N GLU A 73 -8.062 1.526 12.240 1.00 0.38 N ATOM 1178 CA GLU A 73 -9.371 1.088 11.722 1.00 0.39 C ATOM 1179 C GLU A 73 -9.587 1.538 10.259 1.00 0.38 C ATOM 1180 O GLU A 73 -8.637 1.950 9.588 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.500 1.585 12.656 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.814 3.072 12.562 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.974 3.478 13.442 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.778 4.320 14.341 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -13.093 2.965 13.235 1.00 0.92 O ATOM 0 H GLU A 73 -7.551 0.786 12.721 1.00 0.38 H new ATOM 0 HA GLU A 73 -9.393 -0.002 11.712 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.407 1.024 12.433 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -10.227 1.352 13.685 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.931 3.645 12.845 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -11.041 3.327 11.527 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.806 1.392 9.695 1.00 0.33 N ATOM 1193 CA PRO A 74 -11.153 2.062 8.439 1.00 0.32 C ATOM 1194 C PRO A 74 -11.146 3.582 8.599 1.00 0.31 C ATOM 1195 O PRO A 74 -12.198 4.211 8.703 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.568 1.555 8.123 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.715 0.308 8.924 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.900 0.522 10.164 1.00 0.38 C ATOM 0 HA PRO A 74 -10.439 1.844 7.645 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.322 2.292 8.397 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.688 1.357 7.058 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.760 0.122 9.170 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.360 -0.559 8.367 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.483 0.996 10.953 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.524 -0.418 10.567 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.946 4.151 8.658 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.761 5.590 8.818 1.00 0.31 C ATOM 1208 C ASP A 75 -8.390 6.009 8.307 1.00 0.30 C ATOM 1209 O ASP A 75 -8.287 6.782 7.355 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.906 6.002 10.288 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.595 7.472 10.524 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.450 7.793 10.900 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.489 8.319 10.322 1.00 0.50 O ATOM 0 H ASP A 75 -9.073 3.627 8.596 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.533 6.092 8.235 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.923 5.793 10.620 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -9.240 5.392 10.898 1.00 0.34 H new ATOM 1218 N THR A 76 -7.337 5.492 8.934 1.00 0.28 N ATOM 1219 CA THR A 76 -5.973 5.860 8.564 1.00 0.29 C ATOM 1220 C THR A 76 -4.989 4.713 8.765 1.00 0.29 C ATOM 1221 O THR A 76 -5.158 3.878 9.654 1.00 0.35 O ATOM 1222 CB THR A 76 -5.485 7.077 9.374 1.00 0.32 C ATOM 1223 OG1 THR A 76 -6.001 7.015 10.708 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.905 8.381 8.713 1.00 0.35 C ATOM 0 H THR A 76 -7.401 4.819 9.698 1.00 0.28 H new ATOM 0 HA THR A 76 -6.006 6.110 7.504 1.00 0.29 H new ATOM 0 HB THR A 76 -4.396 7.049 9.406 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.969 7.168 10.692 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.547 9.222 9.307 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.478 8.436 7.712 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.992 8.421 8.646 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.965 4.677 7.920 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.889 3.703 8.056 1.00 0.31 C ATOM 1234 C LEU A 77 -1.552 4.393 7.837 1.00 0.33 C ATOM 1235 O LEU A 77 -1.274 4.889 6.748 1.00 0.41 O ATOM 1236 CB LEU A 77 -3.016 2.553 7.040 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.398 1.916 6.893 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.259 2.729 5.941 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -4.271 0.486 6.401 1.00 0.69 C ATOM 0 H LEU A 77 -3.857 5.314 7.131 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.955 3.283 9.060 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.708 2.926 6.063 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.309 1.772 7.320 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.880 1.905 7.871 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -6.239 2.262 5.848 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.375 3.741 6.329 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.781 2.769 4.962 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -5.263 0.046 6.301 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.771 0.478 5.432 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.687 -0.094 7.116 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.733 4.446 8.869 1.00 0.32 N ATOM 1252 CA VAL A 78 0.607 4.989 8.730 1.00 0.36 C ATOM 1253 C VAL A 78 1.597 3.839 8.636 1.00 0.34 C ATOM 1254 O VAL A 78 1.863 3.170 9.626 1.00 0.36 O ATOM 1255 CB VAL A 78 0.985 5.906 9.914 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.333 6.568 9.675 1.00 0.52 C ATOM 1257 CG2 VAL A 78 -0.090 6.955 10.146 1.00 0.67 C ATOM 0 H VAL A 78 -0.968 4.123 9.807 1.00 0.32 H new ATOM 0 HA VAL A 78 0.637 5.596 7.825 1.00 0.36 H new ATOM 0 HB VAL A 78 1.061 5.289 10.809 1.00 0.43 H new ATOM 0 HG11 VAL A 78 2.579 7.209 10.522 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.100 5.802 9.565 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.287 7.168 8.766 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.196 7.590 10.984 1.00 0.67 H new ATOM 0 HG22 VAL A 78 -0.202 7.565 9.250 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -1.036 6.463 10.370 1.00 0.67 H new ATOM 1267 N ILE A 79 2.099 3.579 7.442 1.00 0.35 N ATOM 1268 CA ILE A 79 2.966 2.429 7.225 1.00 0.39 C ATOM 1269 C ILE A 79 4.264 2.836 6.522 1.00 0.40 C ATOM 1270 O ILE A 79 4.279 3.764 5.712 1.00 0.43 O ATOM 1271 CB ILE A 79 2.204 1.311 6.460 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.138 0.170 6.010 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.426 1.891 5.289 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.542 0.219 4.547 1.00 0.67 C ATOM 0 H ILE A 79 1.924 4.143 6.611 1.00 0.35 H new ATOM 0 HA ILE A 79 3.253 2.023 8.195 1.00 0.39 H new ATOM 0 HB ILE A 79 1.490 0.871 7.156 1.00 0.48 H new ATOM 0 HG12 ILE A 79 4.039 0.194 6.623 1.00 0.75 H new ATOM 0 HG13 ILE A 79 2.645 -0.783 6.205 1.00 0.75 H new ATOM 0 HG21 ILE A 79 0.901 1.090 4.769 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.703 2.619 5.657 1.00 0.52 H new ATOM 0 HG23 ILE A 79 2.115 2.380 4.601 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.198 -0.622 4.322 1.00 0.67 H new ATOM 0 HD12 ILE A 79 2.651 0.161 3.921 1.00 0.67 H new ATOM 0 HD13 ILE A 79 4.067 1.153 4.346 1.00 0.67 H new ATOM 1286 N GLY A 80 5.355 2.169 6.890 1.00 0.42 N ATOM 1287 CA GLY A 80 6.658 2.464 6.325 1.00 0.46 C ATOM 1288 C GLY A 80 7.042 1.511 5.209 1.00 0.46 C ATOM 1289 O GLY A 80 6.541 0.383 5.146 1.00 0.50 O ATOM 0 H GLY A 80 5.356 1.418 7.581 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.661 3.485 5.943 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.410 2.417 7.113 1.00 0.46 H new ATOM 1293 N TRP A 81 7.986 1.951 4.377 1.00 0.50 N ATOM 1294 CA TRP A 81 8.307 1.291 3.114 1.00 0.51 C ATOM 1295 C TRP A 81 8.874 -0.115 3.308 1.00 0.53 C ATOM 1296 O TRP A 81 9.441 -0.432 4.341 1.00 0.81 O ATOM 1297 CB TRP A 81 9.283 2.162 2.325 1.00 0.74 C ATOM 1298 CG TRP A 81 9.552 1.678 0.939 1.00 0.80 C ATOM 1299 CD1 TRP A 81 10.758 1.325 0.425 1.00 0.74 C ATOM 1300 CD2 TRP A 81 8.594 1.483 -0.106 1.00 1.40 C ATOM 1301 NE1 TRP A 81 10.621 0.928 -0.881 1.00 0.88 N ATOM 1302 CE2 TRP A 81 9.297 1.015 -1.233 1.00 1.44 C ATOM 1303 CE3 TRP A 81 7.209 1.658 -0.199 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 8.661 0.720 -2.437 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 6.581 1.367 -1.394 1.00 2.78 C ATOM 1306 CH2 TRP A 81 7.306 0.902 -2.499 1.00 2.79 C ATOM 0 H TRP A 81 8.552 2.779 4.562 1.00 0.50 H new ATOM 0 HA TRP A 81 7.379 1.171 2.556 1.00 0.51 H new ATOM 0 HB2 TRP A 81 8.887 3.176 2.273 1.00 0.74 H new ATOM 0 HB3 TRP A 81 10.226 2.215 2.869 1.00 0.74 H new ATOM 0 HD1 TRP A 81 11.692 1.353 0.967 1.00 0.74 H new ATOM 0 HE1 TRP A 81 11.378 0.619 -1.490 1.00 0.88 H new ATOM 0 HE3 TRP A 81 6.642 2.014 0.648 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 9.217 0.361 -3.290 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 5.513 1.500 -1.478 1.00 2.78 H new ATOM 0 HH2 TRP A 81 6.785 0.683 -3.419 1.00 2.79 H new ATOM 1317 N ARG A 82 8.748 -0.930 2.269 1.00 0.54 N ATOM 1318 CA ARG A 82 8.985 -2.360 2.371 1.00 0.74 C ATOM 1319 C ARG A 82 9.495 -2.911 1.040 1.00 0.81 C ATOM 1320 O ARG A 82 9.817 -4.095 0.923 1.00 1.47 O ATOM 1321 CB ARG A 82 7.666 -3.025 2.792 1.00 1.06 C ATOM 1322 CG ARG A 82 7.667 -4.544 2.818 1.00 1.64 C ATOM 1323 CD ARG A 82 7.014 -5.126 1.573 1.00 2.68 C ATOM 1324 NE ARG A 82 6.836 -6.570 1.681 1.00 3.63 N ATOM 1325 CZ ARG A 82 6.327 -7.341 0.723 1.00 4.53 C ATOM 1326 NH1 ARG A 82 6.013 -6.829 -0.461 1.00 4.80 N ATOM 1327 NH2 ARG A 82 6.155 -8.636 0.944 1.00 5.46 N ATOM 0 H ARG A 82 8.479 -0.618 1.336 1.00 0.54 H new ATOM 0 HA ARG A 82 9.753 -2.573 3.115 1.00 0.74 H new ATOM 0 HB2 ARG A 82 7.401 -2.664 3.786 1.00 1.06 H new ATOM 0 HB3 ARG A 82 6.881 -2.693 2.112 1.00 1.06 H new ATOM 0 HG2 ARG A 82 8.692 -4.906 2.895 1.00 1.64 H new ATOM 0 HG3 ARG A 82 7.138 -4.894 3.704 1.00 1.64 H new ATOM 0 HD2 ARG A 82 6.046 -4.651 1.414 1.00 2.68 H new ATOM 0 HD3 ARG A 82 7.627 -4.899 0.701 1.00 2.68 H new ATOM 0 HE ARG A 82 7.121 -7.020 2.551 1.00 3.63 H new ATOM 0 HH11 ARG A 82 6.161 -5.836 -0.643 1.00 4.80 H new ATOM 0 HH12 ARG A 82 5.623 -7.428 -1.189 1.00 4.80 H new ATOM 0 HH21 ARG A 82 6.412 -9.038 1.845 1.00 5.46 H new ATOM 0 HH22 ARG A 82 5.765 -9.231 0.213 1.00 5.46 H new ATOM 1341 N LEU A 83 9.583 -2.023 0.047 1.00 0.79 N ATOM 1342 CA LEU A 83 9.976 -2.380 -1.319 1.00 0.86 C ATOM 1343 C LEU A 83 8.867 -3.179 -2.016 1.00 0.81 C ATOM 1344 O LEU A 83 8.299 -4.115 -1.453 1.00 1.21 O ATOM 1345 CB LEU A 83 11.315 -3.147 -1.314 1.00 1.23 C ATOM 1346 CG LEU A 83 12.000 -3.352 -2.673 1.00 1.13 C ATOM 1347 CD1 LEU A 83 11.370 -4.498 -3.443 1.00 1.55 C ATOM 1348 CD2 LEU A 83 11.952 -2.078 -3.502 1.00 1.28 C ATOM 0 H LEU A 83 9.383 -1.030 0.168 1.00 0.79 H new ATOM 0 HA LEU A 83 10.122 -1.463 -1.889 1.00 0.86 H new ATOM 0 HB2 LEU A 83 12.008 -2.617 -0.661 1.00 1.23 H new ATOM 0 HB3 LEU A 83 11.144 -4.127 -0.869 1.00 1.23 H new ATOM 0 HG LEU A 83 13.042 -3.604 -2.477 1.00 1.13 H new ATOM 0 HD11 LEU A 83 11.878 -4.616 -4.400 1.00 1.55 H new ATOM 0 HD12 LEU A 83 11.463 -5.418 -2.867 1.00 1.55 H new ATOM 0 HD13 LEU A 83 10.315 -4.284 -3.616 1.00 1.55 H new ATOM 0 HD21 LEU A 83 12.443 -2.248 -4.460 1.00 1.28 H new ATOM 0 HD22 LEU A 83 10.914 -1.794 -3.672 1.00 1.28 H new ATOM 0 HD23 LEU A 83 12.464 -1.277 -2.969 1.00 1.28 H new ATOM 1360 N ASN A 84 8.556 -2.789 -3.247 1.00 0.76 N ATOM 1361 CA ASN A 84 7.532 -3.468 -4.032 1.00 1.00 C ATOM 1362 C ASN A 84 8.172 -4.269 -5.155 1.00 1.25 C ATOM 1363 O ASN A 84 9.084 -3.789 -5.826 1.00 1.93 O ATOM 1364 CB ASN A 84 6.543 -2.464 -4.631 1.00 1.26 C ATOM 1365 CG ASN A 84 5.403 -3.146 -5.362 1.00 1.08 C ATOM 1366 OD1 ASN A 84 5.008 -4.249 -5.012 1.00 1.81 O ATOM 1367 ND2 ASN A 84 4.874 -2.498 -6.390 1.00 0.94 N ATOM 0 H ASN A 84 9.000 -2.004 -3.724 1.00 0.76 H new ATOM 0 HA ASN A 84 6.993 -4.140 -3.364 1.00 1.00 H new ATOM 0 HB2 ASN A 84 6.139 -1.837 -3.836 1.00 1.26 H new ATOM 0 HB3 ASN A 84 7.071 -1.804 -5.320 1.00 1.26 H new ATOM 0 HD21 ASN A 84 4.110 -2.918 -6.919 1.00 0.94 H new ATOM 0 HD22 ASN A 84 5.231 -1.579 -6.652 1.00 0.94 H new ATOM 1374 N GLY A 85 7.700 -5.489 -5.345 1.00 1.69 N ATOM 1375 CA GLY A 85 8.192 -6.306 -6.429 1.00 2.21 C ATOM 1376 C GLY A 85 9.105 -7.415 -5.957 1.00 1.96 C ATOM 1377 O GLY A 85 9.346 -8.366 -6.697 1.00 2.40 O ATOM 0 H GLY A 85 6.984 -5.928 -4.767 1.00 1.69 H new ATOM 0 HA2 GLY A 85 7.347 -6.740 -6.964 1.00 2.21 H new ATOM 0 HA3 GLY A 85 8.729 -5.676 -7.138 1.00 2.21 H new ATOM 1381 N PHE A 86 9.610 -7.285 -4.725 1.00 1.79 N ATOM 1382 CA PHE A 86 10.526 -8.269 -4.122 1.00 2.29 C ATOM 1383 C PHE A 86 11.903 -8.253 -4.795 1.00 2.14 C ATOM 1384 O PHE A 86 12.923 -8.076 -4.128 1.00 2.77 O ATOM 1385 CB PHE A 86 9.930 -9.685 -4.157 1.00 3.16 C ATOM 1386 CG PHE A 86 10.857 -10.750 -3.641 1.00 3.79 C ATOM 1387 CD1 PHE A 86 11.236 -10.765 -2.310 1.00 4.45 C ATOM 1388 CD2 PHE A 86 11.344 -11.737 -4.484 1.00 4.03 C ATOM 1389 CE1 PHE A 86 12.084 -11.744 -1.828 1.00 5.26 C ATOM 1390 CE2 PHE A 86 12.194 -12.718 -4.008 1.00 4.80 C ATOM 1391 CZ PHE A 86 12.578 -12.718 -2.695 1.00 5.38 C ATOM 0 H PHE A 86 9.397 -6.496 -4.115 1.00 1.79 H new ATOM 0 HA PHE A 86 10.659 -7.978 -3.080 1.00 2.29 H new ATOM 0 HB2 PHE A 86 9.014 -9.697 -3.566 1.00 3.16 H new ATOM 0 HB3 PHE A 86 9.651 -9.926 -5.183 1.00 3.16 H new ATOM 0 HD1 PHE A 86 10.865 -10.003 -1.641 1.00 4.45 H new ATOM 0 HD2 PHE A 86 11.056 -11.740 -5.525 1.00 4.03 H new ATOM 0 HE1 PHE A 86 12.363 -11.755 -0.785 1.00 5.26 H new ATOM 0 HE2 PHE A 86 12.556 -13.487 -4.675 1.00 4.80 H new ATOM 0 HZ PHE A 86 13.262 -13.470 -2.331 1.00 5.38 H new ATOM 1401 N GLY A 87 11.922 -8.418 -6.116 1.00 1.90 N ATOM 1402 CA GLY A 87 13.169 -8.428 -6.865 1.00 2.08 C ATOM 1403 C GLY A 87 13.669 -7.028 -7.150 1.00 1.87 C ATOM 1404 O GLY A 87 14.581 -6.825 -7.950 1.00 2.30 O ATOM 0 H GLY A 87 11.086 -8.546 -6.686 1.00 1.90 H new ATOM 0 HA2 GLY A 87 13.925 -8.976 -6.303 1.00 2.08 H new ATOM 0 HA3 GLY A 87 13.023 -8.960 -7.805 1.00 2.08 H new ATOM 1408 N ARG A 88 13.044 -6.061 -6.504 1.00 1.33 N ATOM 1409 CA ARG A 88 13.478 -4.689 -6.559 1.00 1.18 C ATOM 1410 C ARG A 88 14.322 -4.423 -5.316 1.00 1.09 C ATOM 1411 O ARG A 88 14.335 -5.244 -4.398 1.00 1.21 O ATOM 1412 CB ARG A 88 12.247 -3.781 -6.616 1.00 0.98 C ATOM 1413 CG ARG A 88 12.435 -2.515 -7.426 1.00 1.64 C ATOM 1414 CD ARG A 88 13.069 -2.809 -8.773 1.00 2.32 C ATOM 1415 NE ARG A 88 12.451 -3.944 -9.464 1.00 3.00 N ATOM 1416 CZ ARG A 88 12.798 -4.344 -10.690 1.00 3.96 C ATOM 1417 NH1 ARG A 88 13.709 -3.671 -11.379 1.00 4.44 N ATOM 1418 NH2 ARG A 88 12.234 -5.417 -11.231 1.00 4.77 N ATOM 0 H ARG A 88 12.218 -6.212 -5.925 1.00 1.33 H new ATOM 0 HA ARG A 88 14.079 -4.488 -7.446 1.00 1.18 H new ATOM 0 HB2 ARG A 88 11.415 -4.345 -7.036 1.00 0.98 H new ATOM 0 HB3 ARG A 88 11.966 -3.508 -5.599 1.00 0.98 H new ATOM 0 HG2 ARG A 88 11.470 -2.029 -7.574 1.00 1.64 H new ATOM 0 HG3 ARG A 88 13.062 -1.816 -6.872 1.00 1.64 H new ATOM 0 HD2 ARG A 88 12.995 -1.923 -9.404 1.00 2.32 H new ATOM 0 HD3 ARG A 88 14.131 -3.012 -8.632 1.00 2.32 H new ATOM 0 HE ARG A 88 11.714 -4.458 -8.981 1.00 3.00 H new ATOM 0 HH11 ARG A 88 14.148 -2.844 -10.973 1.00 4.44 H new ATOM 0 HH12 ARG A 88 13.971 -3.980 -12.315 1.00 4.44 H new ATOM 0 HH21 ARG A 88 11.531 -5.941 -10.710 1.00 4.77 H new ATOM 0 HH22 ARG A 88 12.503 -5.717 -12.168 1.00 4.77 H new ATOM 1432 N ILE A 89 15.028 -3.312 -5.264 1.00 1.08 N ATOM 1433 CA ILE A 89 15.956 -3.095 -4.171 1.00 1.08 C ATOM 1434 C ILE A 89 15.519 -1.943 -3.269 1.00 1.04 C ATOM 1435 O ILE A 89 15.277 -0.830 -3.728 1.00 1.15 O ATOM 1436 CB ILE A 89 17.403 -2.886 -4.707 1.00 1.29 C ATOM 1437 CG1 ILE A 89 18.432 -2.763 -3.563 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.479 -1.687 -5.643 1.00 1.11 C ATOM 1439 CD1 ILE A 89 18.521 -1.391 -2.919 1.00 1.70 C ATOM 0 H ILE A 89 14.980 -2.559 -5.950 1.00 1.08 H new ATOM 0 HA ILE A 89 15.952 -3.994 -3.554 1.00 1.08 H new ATOM 0 HB ILE A 89 17.662 -3.777 -5.279 1.00 1.29 H new ATOM 0 HG12 ILE A 89 18.184 -3.493 -2.793 1.00 1.86 H new ATOM 0 HG13 ILE A 89 19.415 -3.030 -3.950 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.502 -1.568 -6.000 1.00 1.11 H new ATOM 0 HG22 ILE A 89 16.815 -1.846 -6.492 1.00 1.11 H new ATOM 0 HG23 ILE A 89 17.175 -0.788 -5.108 1.00 1.11 H new ATOM 0 HD11 ILE A 89 19.271 -1.408 -2.128 1.00 1.70 H new ATOM 0 HD12 ILE A 89 18.803 -0.654 -3.671 1.00 1.70 H new ATOM 0 HD13 ILE A 89 17.553 -1.124 -2.495 1.00 1.70 H new ATOM 1451 N ASP A 90 15.368 -2.257 -1.989 1.00 1.05 N ATOM 1452 CA ASP A 90 15.246 -1.256 -0.938 1.00 1.15 C ATOM 1453 C ASP A 90 15.581 -1.913 0.389 1.00 1.01 C ATOM 1454 O ASP A 90 15.088 -3.002 0.684 1.00 1.14 O ATOM 1455 CB ASP A 90 13.849 -0.630 -0.866 1.00 1.54 C ATOM 1456 CG ASP A 90 13.811 0.536 0.106 1.00 2.36 C ATOM 1457 OD1 ASP A 90 13.575 0.304 1.306 1.00 2.64 O ATOM 1458 OD2 ASP A 90 14.008 1.688 -0.324 1.00 3.18 O ATOM 0 H ASP A 90 15.327 -3.218 -1.649 1.00 1.05 H new ATOM 0 HA ASP A 90 15.938 -0.445 -1.165 1.00 1.15 H new ATOM 0 HB2 ASP A 90 13.551 -0.289 -1.857 1.00 1.54 H new ATOM 0 HB3 ASP A 90 13.126 -1.385 -0.558 1.00 1.54 H new ATOM 1463 N PRO A 91 16.448 -1.283 1.192 1.00 1.32 N ATOM 1464 CA PRO A 91 16.904 -1.847 2.460 1.00 1.52 C ATOM 1465 C PRO A 91 15.847 -1.801 3.558 1.00 1.24 C ATOM 1466 O PRO A 91 16.124 -2.212 4.686 1.00 1.58 O ATOM 1467 CB PRO A 91 18.104 -0.967 2.847 1.00 2.16 C ATOM 1468 CG PRO A 91 18.378 -0.110 1.657 1.00 2.36 C ATOM 1469 CD PRO A 91 17.074 0.013 0.927 1.00 1.92 C ATOM 0 HA PRO A 91 17.145 -2.904 2.349 1.00 1.52 H new ATOM 0 HB2 PRO A 91 17.877 -0.359 3.723 1.00 2.16 H new ATOM 0 HB3 PRO A 91 18.972 -1.577 3.098 1.00 2.16 H new ATOM 0 HG2 PRO A 91 18.750 0.869 1.959 1.00 2.36 H new ATOM 0 HG3 PRO A 91 19.141 -0.559 1.020 1.00 2.36 H new ATOM 0 HD2 PRO A 91 16.473 0.840 1.304 1.00 1.92 H new ATOM 0 HD3 PRO A 91 17.219 0.185 -0.140 1.00 1.92 H new ATOM 1477 N ASP A 92 14.649 -1.298 3.233 1.00 1.06 N ATOM 1478 CA ASP A 92 13.559 -1.210 4.201 1.00 1.34 C ATOM 1479 C ASP A 92 13.984 -0.320 5.366 1.00 1.18 C ATOM 1480 O ASP A 92 14.444 -0.802 6.404 1.00 1.61 O ATOM 1481 CB ASP A 92 13.173 -2.617 4.681 1.00 1.93 C ATOM 1482 CG ASP A 92 11.944 -2.654 5.570 1.00 2.60 C ATOM 1483 OD1 ASP A 92 10.913 -3.209 5.136 1.00 2.98 O ATOM 1484 OD2 ASP A 92 12.025 -2.194 6.731 1.00 2.99 O ATOM 0 H ASP A 92 14.414 -0.947 2.305 1.00 1.06 H new ATOM 0 HA ASP A 92 12.682 -0.764 3.733 1.00 1.34 H new ATOM 0 HB2 ASP A 92 12.998 -3.250 3.811 1.00 1.93 H new ATOM 0 HB3 ASP A 92 14.014 -3.047 5.225 1.00 1.93 H new ATOM 1489 N ASN A 93 13.886 0.991 5.173 1.00 1.06 N ATOM 1490 CA ASN A 93 14.423 1.930 6.149 1.00 1.26 C ATOM 1491 C ASN A 93 13.389 2.953 6.592 1.00 1.04 C ATOM 1492 O ASN A 93 13.003 2.998 7.760 1.00 1.49 O ATOM 1493 CB ASN A 93 15.645 2.657 5.577 1.00 1.65 C ATOM 1494 CG ASN A 93 16.852 1.753 5.390 1.00 2.22 C ATOM 1495 OD1 ASN A 93 16.993 0.753 6.250 1.00 3.06 O flip ATOM 1496 ND2 ASN A 93 17.663 1.963 4.486 1.00 2.21 N flip ATOM 0 H ASN A 93 13.446 1.423 4.361 1.00 1.06 H new ATOM 0 HA ASN A 93 14.715 1.346 7.022 1.00 1.26 H new ATOM 0 HB2 ASN A 93 15.379 3.099 4.617 1.00 1.65 H new ATOM 0 HB3 ASN A 93 15.914 3.478 6.242 1.00 1.65 H new ATOM 0 HD21 ASN A 93 17.520 2.742 3.844 1.00 2.21 H new ATOM 0 HD22 ASN A 93 18.477 1.357 4.380 1.00 2.21 H new ATOM 1503 N SER A 94 12.948 3.778 5.660 1.00 0.68 N ATOM 1504 CA SER A 94 12.088 4.900 5.990 1.00 0.77 C ATOM 1505 C SER A 94 10.789 4.855 5.190 1.00 0.72 C ATOM 1506 O SER A 94 10.257 3.781 4.910 1.00 1.22 O ATOM 1507 CB SER A 94 12.832 6.208 5.711 1.00 1.19 C ATOM 1508 OG SER A 94 14.081 6.240 6.381 1.00 1.85 O ATOM 0 H SER A 94 13.171 3.692 4.668 1.00 0.68 H new ATOM 0 HA SER A 94 11.830 4.841 7.047 1.00 0.77 H new ATOM 0 HB2 SER A 94 12.989 6.318 4.638 1.00 1.19 H new ATOM 0 HB3 SER A 94 12.222 7.052 6.033 1.00 1.19 H new ATOM 0 HG SER A 94 14.536 7.085 6.184 1.00 1.85 H new ATOM 1514 N SER A 95 10.296 6.039 4.841 1.00 0.60 N ATOM 1515 CA SER A 95 9.065 6.208 4.089 1.00 0.67 C ATOM 1516 C SER A 95 7.845 5.915 4.949 1.00 0.70 C ATOM 1517 O SER A 95 7.143 4.934 4.742 1.00 1.27 O ATOM 1518 CB SER A 95 9.047 5.358 2.816 1.00 0.93 C ATOM 1519 OG SER A 95 7.990 5.755 1.958 1.00 1.44 O ATOM 0 H SER A 95 10.751 6.921 5.078 1.00 0.60 H new ATOM 0 HA SER A 95 9.024 7.254 3.785 1.00 0.67 H new ATOM 0 HB2 SER A 95 10.000 5.455 2.295 1.00 0.93 H new ATOM 0 HB3 SER A 95 8.933 4.306 3.078 1.00 0.93 H new ATOM 0 HG SER A 95 8.329 6.390 1.293 1.00 1.44 H new ATOM 1525 N GLU A 96 7.616 6.777 5.923 1.00 0.48 N ATOM 1526 CA GLU A 96 6.402 6.724 6.726 1.00 0.45 C ATOM 1527 C GLU A 96 5.291 7.495 6.033 1.00 0.45 C ATOM 1528 O GLU A 96 5.239 8.722 6.113 1.00 0.60 O ATOM 1529 CB GLU A 96 6.643 7.324 8.109 1.00 0.56 C ATOM 1530 CG GLU A 96 7.585 6.512 8.973 1.00 1.11 C ATOM 1531 CD GLU A 96 7.861 7.178 10.305 1.00 1.30 C ATOM 1532 OE1 GLU A 96 8.890 7.876 10.426 1.00 1.81 O ATOM 1533 OE2 GLU A 96 7.054 7.006 11.240 1.00 1.33 O ATOM 0 H GLU A 96 8.257 7.527 6.180 1.00 0.48 H new ATOM 0 HA GLU A 96 6.112 5.679 6.839 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.047 8.329 7.993 1.00 0.56 H new ATOM 0 HB3 GLU A 96 5.687 7.422 8.623 1.00 0.56 H new ATOM 0 HG2 GLU A 96 7.157 5.524 9.145 1.00 1.11 H new ATOM 0 HG3 GLU A 96 8.525 6.364 8.442 1.00 1.11 H new ATOM 1540 N PHE A 97 4.419 6.795 5.332 1.00 0.39 N ATOM 1541 CA PHE A 97 3.346 7.468 4.620 1.00 0.40 C ATOM 1542 C PHE A 97 2.018 7.296 5.333 1.00 0.41 C ATOM 1543 O PHE A 97 1.647 6.188 5.728 1.00 0.53 O ATOM 1544 CB PHE A 97 3.252 7.023 3.152 1.00 0.51 C ATOM 1545 CG PHE A 97 3.419 5.553 2.901 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.684 5.017 2.723 1.00 0.46 C ATOM 1547 CD2 PHE A 97 2.317 4.713 2.811 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.854 3.674 2.462 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.484 3.367 2.553 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.753 2.846 2.377 1.00 0.63 C ATOM 0 H PHE A 97 4.429 5.779 5.240 1.00 0.39 H new ATOM 0 HA PHE A 97 3.589 8.531 4.614 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.282 7.331 2.761 1.00 0.51 H new ATOM 0 HB3 PHE A 97 4.011 7.558 2.581 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.549 5.660 2.790 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.323 5.115 2.944 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.846 3.271 2.324 1.00 0.53 H new ATOM 0 HE2 PHE A 97 1.622 2.720 2.488 1.00 0.64 H new ATOM 0 HZ PHE A 97 3.882 1.793 2.173 1.00 0.63 H new ATOM 1560 N THR A 98 1.323 8.410 5.518 1.00 0.35 N ATOM 1561 CA THR A 98 0.037 8.398 6.191 1.00 0.36 C ATOM 1562 C THR A 98 -1.096 8.243 5.183 1.00 0.33 C ATOM 1563 O THR A 98 -1.360 9.148 4.390 1.00 0.36 O ATOM 1564 CB THR A 98 -0.182 9.692 6.994 1.00 0.38 C ATOM 1565 OG1 THR A 98 0.983 9.984 7.778 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.394 9.565 7.907 1.00 0.40 C ATOM 0 H THR A 98 1.631 9.333 5.210 1.00 0.35 H new ATOM 0 HA THR A 98 0.037 7.550 6.875 1.00 0.36 H new ATOM 0 HB THR A 98 -0.361 10.505 6.290 1.00 0.38 H new ATOM 0 HG1 THR A 98 0.837 10.810 8.285 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.528 10.492 8.464 1.00 0.40 H new ATOM 0 HG22 THR A 98 -2.283 9.370 7.307 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.240 8.742 8.604 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.750 7.090 5.201 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.913 6.867 4.360 1.00 0.35 C ATOM 1576 C VAL A 99 -4.142 7.461 5.030 1.00 0.31 C ATOM 1577 O VAL A 99 -4.612 6.946 6.042 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.153 5.358 4.094 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.359 5.152 3.190 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -1.919 4.708 3.485 1.00 0.87 C ATOM 0 H VAL A 99 -1.494 6.297 5.789 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.730 7.352 3.401 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.354 4.880 5.053 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.507 4.086 3.018 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.246 5.569 3.666 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.189 5.653 2.237 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.114 3.650 3.309 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.680 5.195 2.540 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -1.077 4.812 4.170 1.00 0.87 H new ATOM 1590 N THR A 100 -4.648 8.545 4.470 1.00 0.31 N ATOM 1591 CA THR A 100 -5.807 9.209 5.028 1.00 0.30 C ATOM 1592 C THR A 100 -7.060 8.856 4.242 1.00 0.26 C ATOM 1593 O THR A 100 -7.233 9.299 3.110 1.00 0.28 O ATOM 1594 CB THR A 100 -5.631 10.739 5.022 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.326 11.087 5.509 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.695 11.406 5.880 1.00 0.36 C ATOM 0 H THR A 100 -4.273 8.983 3.629 1.00 0.31 H new ATOM 0 HA THR A 100 -5.910 8.865 6.057 1.00 0.30 H new ATOM 0 HB THR A 100 -5.738 11.092 3.996 1.00 0.36 H new ATOM 0 HG1 THR A 100 -3.699 11.139 4.757 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.552 12.486 5.862 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.683 11.164 5.488 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.613 11.046 6.906 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.912 8.035 4.825 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.202 7.748 4.228 1.00 0.24 C ATOM 1606 C PHE A 101 -10.225 8.767 4.711 1.00 0.25 C ATOM 1607 O PHE A 101 -10.635 8.741 5.875 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.673 6.334 4.580 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.998 5.236 3.812 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -9.130 5.157 2.437 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.253 4.270 4.465 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.527 4.138 1.725 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.648 3.248 3.757 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.786 3.182 2.387 1.00 0.29 C ATOM 0 H PHE A 101 -7.735 7.556 5.708 1.00 0.25 H new ATOM 0 HA PHE A 101 -9.100 7.811 3.145 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.510 6.167 5.645 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.748 6.271 4.408 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.712 5.901 1.914 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -8.143 4.315 5.538 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.636 4.090 0.652 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -7.067 2.501 4.278 1.00 0.31 H new ATOM 0 HZ PHE A 101 -7.315 2.383 1.833 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.612 9.672 3.829 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.600 10.684 4.157 1.00 0.31 C ATOM 1626 C VAL A 102 -12.981 10.192 3.759 1.00 0.30 C ATOM 1627 O VAL A 102 -13.295 10.081 2.570 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.307 12.024 3.448 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.325 13.082 3.848 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -9.894 12.498 3.755 1.00 0.54 C ATOM 0 H VAL A 102 -10.255 9.726 2.875 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.556 10.858 5.232 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.388 11.862 2.373 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.098 14.017 3.336 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.325 12.749 3.569 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.282 13.239 4.926 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -9.709 13.444 3.246 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -9.783 12.637 4.830 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.177 11.753 3.409 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.790 9.878 4.756 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.115 9.334 4.528 1.00 0.35 C ATOM 1642 C ALA A 103 -15.999 10.337 3.804 1.00 0.39 C ATOM 1643 O ALA A 103 -15.933 11.541 4.063 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.743 8.921 5.845 1.00 0.44 C ATOM 0 H ALA A 103 -13.548 9.992 5.740 1.00 0.31 H new ATOM 0 HA ALA A 103 -15.020 8.453 3.893 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.737 8.514 5.662 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -15.122 8.162 6.322 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.821 9.789 6.499 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.806 9.841 2.886 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.698 10.686 2.114 1.00 0.57 C ATOM 1652 C ASP A 104 -19.117 10.158 2.219 1.00 0.64 C ATOM 1653 O ASP A 104 -19.518 9.265 1.462 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.276 10.702 0.650 1.00 0.58 C ATOM 1655 CG ASP A 104 -17.820 11.883 -0.122 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -17.024 12.732 -0.569 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -19.058 11.987 -0.245 1.00 2.03 O ATOM 0 H ASP A 104 -16.862 8.849 2.655 1.00 0.48 H new ATOM 0 HA ASP A 104 -17.650 11.700 2.511 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -16.187 10.712 0.594 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.611 9.781 0.173 1.00 0.58 H new ATOM 1662 N GLY A 105 -19.855 10.677 3.180 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.224 10.262 3.364 1.00 0.83 C ATOM 1664 C GLY A 105 -21.335 8.824 3.820 1.00 1.06 C ATOM 1665 O GLY A 105 -20.996 8.496 4.959 1.00 1.97 O ATOM 0 H GLY A 105 -19.529 11.383 3.840 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -21.702 10.911 4.098 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.767 10.386 2.427 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.794 7.958 2.930 1.00 1.24 N ATOM 1670 CA GLN A 106 -22.055 6.576 3.293 1.00 2.07 C ATOM 1671 C GLN A 106 -21.644 5.610 2.178 1.00 1.73 C ATOM 1672 O GLN A 106 -21.745 4.394 2.337 1.00 2.51 O ATOM 1673 CB GLN A 106 -23.545 6.429 3.616 1.00 2.98 C ATOM 1674 CG GLN A 106 -23.938 5.086 4.215 1.00 3.83 C ATOM 1675 CD GLN A 106 -25.432 4.987 4.448 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -26.099 5.991 4.707 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -25.975 3.785 4.350 1.00 4.93 N ATOM 0 H GLN A 106 -21.992 8.187 1.956 1.00 1.24 H new ATOM 0 HA GLN A 106 -21.457 6.320 4.167 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -23.832 7.219 4.310 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -24.118 6.585 2.702 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -23.621 4.284 3.548 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -23.413 4.942 5.159 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -25.391 2.977 4.134 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -26.978 3.666 4.490 1.00 4.93 H new ATOM 1686 N LYS A 107 -21.171 6.138 1.052 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.837 5.276 -0.079 1.00 0.48 C ATOM 1688 C LYS A 107 -19.563 5.714 -0.800 1.00 0.38 C ATOM 1689 O LYS A 107 -19.119 5.049 -1.731 1.00 0.47 O ATOM 1690 CB LYS A 107 -22.004 5.232 -1.069 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.310 6.572 -1.728 1.00 1.55 C ATOM 1692 CD LYS A 107 -21.895 6.588 -3.194 1.00 2.23 C ATOM 1693 CE LYS A 107 -22.791 5.695 -4.042 1.00 2.95 C ATOM 1694 NZ LYS A 107 -24.206 6.159 -4.038 1.00 3.53 N ATOM 0 H LYS A 107 -21.013 7.134 0.899 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.653 4.281 0.325 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.781 4.500 -1.845 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -22.896 4.883 -0.548 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -23.377 6.781 -1.650 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -21.790 7.367 -1.194 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -21.936 7.609 -3.573 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -20.861 6.256 -3.283 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -22.419 5.676 -5.066 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -22.744 4.673 -3.667 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -24.713 5.733 -4.840 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -24.663 5.873 -3.148 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -24.232 7.195 -4.123 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.968 6.813 -0.381 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.780 7.314 -1.058 1.00 0.29 C ATOM 1710 C LYS A 108 -16.663 7.540 -0.048 1.00 0.27 C ATOM 1711 O LYS A 108 -16.920 7.675 1.145 1.00 0.28 O ATOM 1712 CB LYS A 108 -18.119 8.612 -1.812 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.956 9.233 -2.576 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.399 10.487 -3.318 1.00 1.09 C ATOM 1715 CE LYS A 108 -16.217 11.320 -3.795 1.00 1.62 C ATOM 1716 NZ LYS A 108 -15.465 11.927 -2.662 1.00 2.44 N ATOM 0 H LYS A 108 -19.279 7.372 0.413 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.436 6.577 -1.784 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.927 8.407 -2.514 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.496 9.343 -1.096 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -16.152 9.481 -1.883 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.554 8.509 -3.285 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -18.011 10.203 -4.174 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -18.027 11.092 -2.664 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -15.545 10.693 -4.381 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -16.574 12.109 -4.457 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -14.878 12.710 -3.015 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -16.136 12.289 -1.954 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -14.856 11.207 -2.224 1.00 2.44 H new ATOM 1730 N THR A 109 -15.428 7.535 -0.524 1.00 0.26 N ATOM 1731 CA THR A 109 -14.278 7.844 0.312 1.00 0.25 C ATOM 1732 C THR A 109 -13.092 8.265 -0.545 1.00 0.26 C ATOM 1733 O THR A 109 -12.679 7.539 -1.446 1.00 0.35 O ATOM 1734 CB THR A 109 -13.871 6.641 1.193 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.896 6.369 2.152 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.558 6.896 1.922 1.00 0.42 C ATOM 0 H THR A 109 -15.195 7.318 -1.493 1.00 0.26 H new ATOM 0 HA THR A 109 -14.568 8.667 0.966 1.00 0.25 H new ATOM 0 HB THR A 109 -13.737 5.783 0.535 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.588 7.060 2.096 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.305 6.028 2.531 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.766 7.072 1.194 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.662 7.771 2.563 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.569 9.448 -0.283 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.355 9.897 -0.928 1.00 0.27 C ATOM 1746 C ARG A 110 -10.173 9.635 -0.010 1.00 0.26 C ATOM 1747 O ARG A 110 -10.116 10.150 1.104 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.448 11.387 -1.263 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.133 12.005 -1.713 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.730 11.534 -3.098 1.00 0.62 C ATOM 1751 NE ARG A 110 -10.579 12.113 -4.137 1.00 1.27 N ATOM 1752 CZ ARG A 110 -10.224 12.224 -5.415 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -9.008 11.860 -5.808 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -11.076 12.739 -6.293 1.00 2.59 N ATOM 0 H ARG A 110 -12.970 10.116 0.375 1.00 0.25 H new ATOM 0 HA ARG A 110 -11.218 9.347 -1.859 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.190 11.526 -2.049 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.808 11.924 -0.386 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.223 13.091 -1.711 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.349 11.749 -1.000 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -8.691 11.804 -3.286 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -9.790 10.447 -3.144 1.00 0.62 H new ATOM 0 HE ARG A 110 -11.501 12.453 -3.866 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -8.341 11.493 -5.129 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -8.742 11.947 -6.789 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -11.999 13.048 -5.987 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -10.808 12.826 -7.273 1.00 2.59 H new ATOM 1768 N VAL A 111 -9.249 8.818 -0.466 1.00 0.27 N ATOM 1769 CA VAL A 111 -8.054 8.544 0.286 1.00 0.27 C ATOM 1770 C VAL A 111 -6.909 9.374 -0.252 1.00 0.29 C ATOM 1771 O VAL A 111 -6.695 9.453 -1.465 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.669 7.056 0.243 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -7.895 6.497 -1.133 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.219 6.880 0.605 1.00 0.33 C ATOM 0 H VAL A 111 -9.307 8.331 -1.360 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.256 8.806 1.325 1.00 0.27 H new ATOM 0 HB VAL A 111 -8.293 6.525 0.961 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -7.618 5.443 -1.148 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -8.947 6.599 -1.399 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -7.284 7.043 -1.852 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.961 5.821 0.570 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.598 7.428 -0.103 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.046 7.263 1.611 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.175 9.969 0.656 1.00 0.31 N ATOM 1785 CA ASP A 112 -5.074 10.834 0.300 1.00 0.37 C ATOM 1786 C ASP A 112 -3.888 10.570 1.222 1.00 0.37 C ATOM 1787 O ASP A 112 -3.974 10.759 2.437 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.529 12.291 0.369 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.644 13.229 -0.432 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.651 13.742 0.123 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.959 13.484 -1.619 1.00 1.38 O ATOM 0 H ASP A 112 -6.322 9.869 1.660 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.752 10.627 -0.721 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.552 12.364 0.001 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.541 12.613 1.410 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.807 10.062 0.650 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.603 9.778 1.412 1.00 0.41 C ATOM 1798 C VAL A 113 -0.668 10.968 1.402 1.00 0.43 C ATOM 1799 O VAL A 113 -0.286 11.455 0.337 1.00 0.47 O ATOM 1800 CB VAL A 113 -0.855 8.546 0.862 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.567 8.475 1.397 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -1.603 7.276 1.210 1.00 0.77 C ATOM 0 H VAL A 113 -2.740 9.838 -0.343 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.918 9.567 2.434 1.00 0.41 H new ATOM 0 HB VAL A 113 -0.804 8.646 -0.222 1.00 0.50 H new ATOM 0 HG11 VAL A 113 1.065 7.595 0.990 1.00 0.91 H new ATOM 0 HG12 VAL A 113 1.112 9.371 1.101 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.544 8.408 2.485 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.063 6.416 0.815 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -1.685 7.187 2.293 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -2.601 7.310 0.772 1.00 0.77 H new ATOM 1812 N GLU A 114 -0.310 11.420 2.593 1.00 0.47 N ATOM 1813 CA GLU A 114 0.644 12.500 2.755 1.00 0.55 C ATOM 1814 C GLU A 114 1.962 11.944 3.275 1.00 0.60 C ATOM 1815 O GLU A 114 2.017 11.365 4.370 1.00 0.62 O ATOM 1816 CB GLU A 114 0.114 13.543 3.738 1.00 0.67 C ATOM 1817 CG GLU A 114 -1.160 14.231 3.285 1.00 1.31 C ATOM 1818 CD GLU A 114 -1.782 15.066 4.383 1.00 1.75 C ATOM 1819 OE1 GLU A 114 -2.860 14.683 4.884 1.00 2.31 O ATOM 1820 OE2 GLU A 114 -1.190 16.096 4.773 1.00 2.05 O ATOM 0 H GLU A 114 -0.673 11.048 3.471 1.00 0.47 H new ATOM 0 HA GLU A 114 0.798 12.974 1.786 1.00 0.55 H new ATOM 0 HB2 GLU A 114 -0.068 13.061 4.699 1.00 0.67 H new ATOM 0 HB3 GLU A 114 0.884 14.298 3.900 1.00 0.67 H new ATOM 0 HG2 GLU A 114 -0.942 14.867 2.427 1.00 1.31 H new ATOM 0 HG3 GLU A 114 -1.877 13.481 2.951 1.00 1.31 H new ATOM 1827 N HIS A 115 3.004 12.063 2.472 1.00 0.70 N ATOM 1828 CA HIS A 115 4.328 11.632 2.877 1.00 0.80 C ATOM 1829 C HIS A 115 5.404 12.399 2.112 1.00 0.89 C ATOM 1830 O HIS A 115 5.231 12.701 0.938 1.00 1.17 O ATOM 1831 CB HIS A 115 4.462 10.126 2.649 1.00 0.92 C ATOM 1832 CG HIS A 115 5.838 9.593 2.850 1.00 0.87 C ATOM 1833 ND1 HIS A 115 6.607 9.878 3.951 1.00 1.59 N ATOM 1834 CD2 HIS A 115 6.590 8.798 2.065 1.00 1.36 C ATOM 1835 CE1 HIS A 115 7.773 9.289 3.831 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.793 8.621 2.693 1.00 1.47 N ATOM 0 H HIS A 115 2.957 12.456 1.532 1.00 0.70 H new ATOM 0 HA HIS A 115 4.466 11.843 3.937 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.782 9.607 3.325 1.00 0.92 H new ATOM 0 HB3 HIS A 115 4.141 9.895 1.633 1.00 0.92 H new ATOM 0 HD2 HIS A 115 6.297 8.377 1.114 1.00 1.36 H new ATOM 0 HE1 HIS A 115 8.582 9.342 4.545 1.00 1.64 H new ATOM 0 HE2 HIS A 115 8.573 8.066 2.341 1.00 1.47 H new ATOM 1845 N THR A 116 6.510 12.717 2.771 1.00 0.90 N ATOM 1846 CA THR A 116 7.638 13.327 2.081 1.00 1.08 C ATOM 1847 C THR A 116 8.933 13.218 2.889 1.00 0.83 C ATOM 1848 O THR A 116 9.013 13.705 4.015 1.00 1.67 O ATOM 1849 CB THR A 116 7.363 14.808 1.716 1.00 1.92 C ATOM 1850 OG1 THR A 116 8.492 15.362 1.030 1.00 2.67 O ATOM 1851 CG2 THR A 116 7.047 15.650 2.947 1.00 2.51 C ATOM 0 H THR A 116 6.650 12.565 3.770 1.00 0.90 H new ATOM 0 HA THR A 116 7.766 12.765 1.156 1.00 1.08 H new ATOM 0 HB THR A 116 6.489 14.827 1.066 1.00 1.92 H new ATOM 0 HG1 THR A 116 8.202 16.121 0.483 1.00 2.67 H new ATOM 0 HG21 THR A 116 6.861 16.681 2.645 1.00 2.51 H new ATOM 0 HG22 THR A 116 6.162 15.252 3.443 1.00 2.51 H new ATOM 0 HG23 THR A 116 7.892 15.620 3.635 1.00 2.51 H new ATOM 1859 N HIS A 117 9.927 12.539 2.299 1.00 0.72 N ATOM 1860 CA HIS A 117 11.282 12.451 2.861 1.00 1.13 C ATOM 1861 C HIS A 117 12.109 11.406 2.119 1.00 0.90 C ATOM 1862 O HIS A 117 13.119 11.732 1.511 1.00 0.97 O ATOM 1863 CB HIS A 117 11.271 12.105 4.361 1.00 1.98 C ATOM 1864 CG HIS A 117 12.643 11.966 4.964 1.00 2.07 C ATOM 1865 ND1 HIS A 117 13.567 12.987 4.985 1.00 2.40 N ATOM 1866 CD2 HIS A 117 13.250 10.907 5.551 1.00 2.33 C ATOM 1867 CE1 HIS A 117 14.679 12.563 5.553 1.00 2.60 C ATOM 1868 NE2 HIS A 117 14.514 11.303 5.907 1.00 2.63 N ATOM 0 H HIS A 117 9.814 12.036 1.419 1.00 0.72 H new ATOM 0 HA HIS A 117 11.731 13.437 2.739 1.00 1.13 H new ATOM 0 HB2 HIS A 117 10.725 12.880 4.899 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.725 11.173 4.505 1.00 1.98 H new ATOM 0 HD2 HIS A 117 12.818 9.930 5.710 1.00 2.33 H new ATOM 0 HE1 HIS A 117 15.574 13.149 5.703 1.00 2.60 H new ATOM 0 HE2 HIS A 117 15.211 10.719 6.369 1.00 2.63 H new ATOM 1877 N PHE A 118 11.650 10.157 2.164 1.00 0.76 N ATOM 1878 CA PHE A 118 12.439 9.010 1.709 1.00 0.76 C ATOM 1879 C PHE A 118 12.970 9.187 0.274 1.00 0.65 C ATOM 1880 O PHE A 118 14.160 8.995 0.030 1.00 0.74 O ATOM 1881 CB PHE A 118 11.605 7.715 1.863 1.00 0.97 C ATOM 1882 CG PHE A 118 10.779 7.336 0.659 1.00 1.74 C ATOM 1883 CD1 PHE A 118 11.145 6.267 -0.145 1.00 2.35 C ATOM 1884 CD2 PHE A 118 9.640 8.057 0.328 1.00 2.32 C ATOM 1885 CE1 PHE A 118 10.392 5.922 -1.249 1.00 3.18 C ATOM 1886 CE2 PHE A 118 8.883 7.715 -0.776 1.00 3.21 C ATOM 1887 CZ PHE A 118 9.254 6.626 -1.555 1.00 3.54 C ATOM 0 H PHE A 118 10.725 9.910 2.515 1.00 0.76 H new ATOM 0 HA PHE A 118 13.325 8.936 2.340 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.281 6.892 2.094 1.00 0.97 H new ATOM 0 HB3 PHE A 118 10.940 7.830 2.719 1.00 0.97 H new ATOM 0 HD1 PHE A 118 12.030 5.697 0.096 1.00 2.35 H new ATOM 0 HD2 PHE A 118 9.342 8.895 0.941 1.00 2.32 H new ATOM 0 HE1 PHE A 118 10.699 5.096 -1.874 1.00 3.18 H new ATOM 0 HE2 PHE A 118 8.007 8.292 -1.032 1.00 3.21 H new ATOM 0 HZ PHE A 118 8.648 6.334 -2.400 1.00 3.54 H new ATOM 1897 N ASP A 119 12.097 9.545 -0.667 1.00 0.66 N ATOM 1898 CA ASP A 119 12.495 9.685 -2.068 1.00 0.75 C ATOM 1899 C ASP A 119 13.218 11.006 -2.316 1.00 0.74 C ATOM 1900 O ASP A 119 14.194 11.061 -3.058 1.00 0.83 O ATOM 1901 CB ASP A 119 11.283 9.570 -2.992 1.00 0.94 C ATOM 1902 CG ASP A 119 11.683 9.247 -4.421 1.00 1.34 C ATOM 1903 OD1 ASP A 119 11.709 8.051 -4.774 1.00 1.75 O ATOM 1904 OD2 ASP A 119 11.973 10.181 -5.195 1.00 1.81 O ATOM 0 H ASP A 119 11.113 9.743 -0.486 1.00 0.66 H new ATOM 0 HA ASP A 119 13.187 8.873 -2.291 1.00 0.75 H new ATOM 0 HB2 ASP A 119 10.615 8.794 -2.619 1.00 0.94 H new ATOM 0 HB3 ASP A 119 10.725 10.506 -2.975 1.00 0.94 H new ATOM 1909 N ARG A 120 12.736 12.074 -1.688 1.00 0.76 N ATOM 1910 CA ARG A 120 13.327 13.397 -1.871 1.00 0.89 C ATOM 1911 C ARG A 120 14.744 13.444 -1.299 1.00 0.83 C ATOM 1912 O ARG A 120 15.590 14.208 -1.763 1.00 1.00 O ATOM 1913 CB ARG A 120 12.455 14.477 -1.225 1.00 1.07 C ATOM 1914 CG ARG A 120 12.912 15.893 -1.540 1.00 1.50 C ATOM 1915 CD ARG A 120 12.935 16.141 -3.041 1.00 1.71 C ATOM 1916 NE ARG A 120 13.491 17.452 -3.379 1.00 2.15 N ATOM 1917 CZ ARG A 120 13.715 17.868 -4.625 1.00 2.66 C ATOM 1918 NH1 ARG A 120 13.407 17.089 -5.657 1.00 2.90 N ATOM 1919 NH2 ARG A 120 14.240 19.066 -4.838 1.00 3.38 N ATOM 0 H ARG A 120 11.941 12.051 -1.050 1.00 0.76 H new ATOM 0 HA ARG A 120 13.382 13.594 -2.942 1.00 0.89 H new ATOM 0 HB2 ARG A 120 11.426 14.352 -1.562 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.456 14.335 -0.144 1.00 1.07 H new ATOM 0 HG2 ARG A 120 12.244 16.609 -1.060 1.00 1.50 H new ATOM 0 HG3 ARG A 120 13.907 16.058 -1.126 1.00 1.50 H new ATOM 0 HD2 ARG A 120 13.524 15.363 -3.527 1.00 1.71 H new ATOM 0 HD3 ARG A 120 11.921 16.066 -3.435 1.00 1.71 H new ATOM 0 HE ARG A 120 13.721 18.086 -2.614 1.00 2.15 H new ATOM 0 HH11 ARG A 120 12.997 16.169 -5.497 1.00 2.90 H new ATOM 0 HH12 ARG A 120 13.580 17.412 -6.609 1.00 2.90 H new ATOM 0 HH21 ARG A 120 14.472 19.669 -4.049 1.00 3.38 H new ATOM 0 HH22 ARG A 120 14.412 19.385 -5.791 1.00 3.38 H new ATOM 1933 N MET A 121 15.000 12.608 -0.303 1.00 0.73 N ATOM 1934 CA MET A 121 16.330 12.481 0.274 1.00 0.91 C ATOM 1935 C MET A 121 16.991 11.273 -0.341 1.00 1.12 C ATOM 1936 O MET A 121 17.970 10.732 0.172 1.00 1.41 O ATOM 1937 CB MET A 121 16.238 12.281 1.778 1.00 1.05 C ATOM 1938 CG MET A 121 17.526 12.603 2.524 1.00 1.28 C ATOM 1939 SD MET A 121 18.094 14.296 2.245 1.00 2.15 S ATOM 1940 CE MET A 121 16.686 15.232 2.839 1.00 2.43 C ATOM 0 H MET A 121 14.298 12.004 0.125 1.00 0.73 H new ATOM 0 HA MET A 121 16.904 13.386 0.076 1.00 0.91 H new ATOM 0 HB2 MET A 121 15.437 12.908 2.169 1.00 1.05 H new ATOM 0 HB3 MET A 121 15.961 11.246 1.981 1.00 1.05 H new ATOM 0 HG2 MET A 121 17.370 12.448 3.592 1.00 1.28 H new ATOM 0 HG3 MET A 121 18.305 11.907 2.212 1.00 1.28 H new ATOM 0 HE1 MET A 121 16.985 16.265 3.017 1.00 2.43 H new ATOM 0 HE2 MET A 121 15.892 15.207 2.093 1.00 2.43 H new ATOM 0 HE3 MET A 121 16.324 14.794 3.769 1.00 2.43 H new ATOM 1950 N GLY A 122 16.429 10.875 -1.459 1.00 1.18 N ATOM 1951 CA GLY A 122 16.753 9.627 -2.064 1.00 1.61 C ATOM 1952 C GLY A 122 18.165 9.534 -2.576 1.00 1.21 C ATOM 1953 O GLY A 122 19.057 9.099 -1.850 1.00 1.30 O ATOM 0 H GLY A 122 15.732 11.419 -1.968 1.00 1.18 H new ATOM 0 HA2 GLY A 122 16.589 8.831 -1.337 1.00 1.61 H new ATOM 0 HA3 GLY A 122 16.067 9.449 -2.892 1.00 1.61 H new ATOM 1957 N THR A 123 18.365 9.954 -3.819 1.00 1.27 N ATOM 1958 CA THR A 123 19.583 9.639 -4.550 1.00 1.42 C ATOM 1959 C THR A 123 19.743 8.117 -4.605 1.00 1.27 C ATOM 1960 O THR A 123 19.322 7.478 -5.569 1.00 1.24 O ATOM 1961 CB THR A 123 20.825 10.300 -3.913 1.00 1.94 C ATOM 1962 OG1 THR A 123 20.593 11.705 -3.745 1.00 2.44 O ATOM 1963 CG2 THR A 123 22.054 10.094 -4.780 1.00 2.58 C ATOM 0 H THR A 123 17.695 10.517 -4.343 1.00 1.27 H new ATOM 0 HA THR A 123 19.501 10.041 -5.560 1.00 1.42 H new ATOM 0 HB THR A 123 21.000 9.834 -2.943 1.00 1.94 H new ATOM 0 HG1 THR A 123 21.382 12.121 -3.339 1.00 2.44 H new ATOM 0 HG21 THR A 123 22.915 10.569 -4.309 1.00 2.58 H new ATOM 0 HG22 THR A 123 22.245 9.027 -4.893 1.00 2.58 H new ATOM 0 HG23 THR A 123 21.886 10.538 -5.761 1.00 2.58 H new ATOM 1971 N LYS A 124 20.286 7.540 -3.540 1.00 1.28 N ATOM 1972 CA LYS A 124 20.299 6.098 -3.378 1.00 1.24 C ATOM 1973 C LYS A 124 18.869 5.597 -3.220 1.00 1.05 C ATOM 1974 O LYS A 124 18.410 4.742 -3.974 1.00 1.04 O ATOM 1975 CB LYS A 124 21.092 5.686 -2.135 1.00 1.43 C ATOM 1976 CG LYS A 124 22.517 6.209 -2.079 1.00 2.04 C ATOM 1977 CD LYS A 124 23.204 5.739 -0.807 1.00 2.45 C ATOM 1978 CE LYS A 124 24.611 6.294 -0.685 1.00 3.14 C ATOM 1979 NZ LYS A 124 25.300 5.785 0.529 1.00 3.80 N ATOM 0 H LYS A 124 20.724 8.054 -2.775 1.00 1.28 H new ATOM 0 HA LYS A 124 20.770 5.664 -4.260 1.00 1.24 H new ATOM 0 HB2 LYS A 124 20.558 6.034 -1.250 1.00 1.43 H new ATOM 0 HB3 LYS A 124 21.118 4.598 -2.084 1.00 1.43 H new ATOM 0 HG2 LYS A 124 23.073 5.862 -2.950 1.00 2.04 H new ATOM 0 HG3 LYS A 124 22.513 7.298 -2.117 1.00 2.04 H new ATOM 0 HD2 LYS A 124 22.616 6.047 0.058 1.00 2.45 H new ATOM 0 HD3 LYS A 124 23.241 4.650 -0.796 1.00 2.45 H new ATOM 0 HE2 LYS A 124 25.187 6.024 -1.570 1.00 3.14 H new ATOM 0 HE3 LYS A 124 24.571 7.383 -0.651 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 26.258 6.186 0.578 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 24.764 6.064 1.375 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 25.361 4.748 0.485 1.00 3.80 H new ATOM 1993 N HIS A 125 18.167 6.165 -2.239 1.00 0.96 N ATOM 1994 CA HIS A 125 16.831 5.702 -1.875 1.00 0.85 C ATOM 1995 C HIS A 125 15.841 5.919 -3.017 1.00 0.76 C ATOM 1996 O HIS A 125 15.089 5.015 -3.378 1.00 0.76 O ATOM 1997 CB HIS A 125 16.335 6.408 -0.600 1.00 0.85 C ATOM 1998 CG HIS A 125 15.301 5.604 0.129 1.00 1.23 C ATOM 1999 ND1 HIS A 125 15.113 5.651 1.493 1.00 1.80 N ATOM 2000 CD2 HIS A 125 14.432 4.678 -0.329 1.00 1.80 C ATOM 2001 CE1 HIS A 125 14.183 4.780 1.835 1.00 2.14 C ATOM 2002 NE2 HIS A 125 13.751 4.171 0.746 1.00 2.12 N ATOM 0 H HIS A 125 18.505 6.949 -1.681 1.00 0.96 H new ATOM 0 HA HIS A 125 16.896 4.632 -1.678 1.00 0.85 H new ATOM 0 HB2 HIS A 125 17.181 6.594 0.062 1.00 0.85 H new ATOM 0 HB3 HIS A 125 15.917 7.379 -0.864 1.00 0.85 H new ATOM 0 HD2 HIS A 125 14.297 4.388 -1.361 1.00 1.80 H new ATOM 0 HE1 HIS A 125 13.833 4.596 2.840 1.00 2.14 H new ATOM 0 HE2 HIS A 125 13.033 3.447 0.711 1.00 2.12 H new ATOM 2011 N ALA A 126 15.848 7.114 -3.573 1.00 0.77 N ATOM 2012 CA ALA A 126 14.958 7.452 -4.679 1.00 0.80 C ATOM 2013 C ALA A 126 15.176 6.523 -5.867 1.00 0.86 C ATOM 2014 O ALA A 126 14.223 6.004 -6.443 1.00 0.92 O ATOM 2015 CB ALA A 126 15.160 8.900 -5.101 1.00 0.92 C ATOM 0 H ALA A 126 16.461 7.874 -3.279 1.00 0.77 H new ATOM 0 HA ALA A 126 13.932 7.324 -4.333 1.00 0.80 H new ATOM 0 HB1 ALA A 126 14.489 9.135 -5.927 1.00 0.92 H new ATOM 0 HB2 ALA A 126 14.944 9.558 -4.259 1.00 0.92 H new ATOM 0 HB3 ALA A 126 16.192 9.045 -5.420 1.00 0.92 H new ATOM 2021 N LYS A 127 16.439 6.299 -6.215 1.00 0.92 N ATOM 2022 CA LYS A 127 16.774 5.472 -7.368 1.00 1.05 C ATOM 2023 C LYS A 127 16.263 4.040 -7.180 1.00 0.97 C ATOM 2024 O LYS A 127 15.627 3.479 -8.071 1.00 1.04 O ATOM 2025 CB LYS A 127 18.294 5.474 -7.584 1.00 1.26 C ATOM 2026 CG LYS A 127 18.729 5.191 -9.017 1.00 1.55 C ATOM 2027 CD LYS A 127 18.500 3.744 -9.420 1.00 1.93 C ATOM 2028 CE LYS A 127 18.729 3.538 -10.907 1.00 2.38 C ATOM 2029 NZ LYS A 127 17.837 4.401 -11.724 1.00 2.83 N ATOM 0 H LYS A 127 17.245 6.677 -5.717 1.00 0.92 H new ATOM 0 HA LYS A 127 16.287 5.890 -8.249 1.00 1.05 H new ATOM 0 HB2 LYS A 127 18.690 6.444 -7.282 1.00 1.26 H new ATOM 0 HB3 LYS A 127 18.743 4.728 -6.928 1.00 1.26 H new ATOM 0 HG2 LYS A 127 18.181 5.845 -9.695 1.00 1.55 H new ATOM 0 HG3 LYS A 127 19.786 5.432 -9.127 1.00 1.55 H new ATOM 0 HD2 LYS A 127 19.171 3.097 -8.854 1.00 1.93 H new ATOM 0 HD3 LYS A 127 17.482 3.450 -9.163 1.00 1.93 H new ATOM 0 HE2 LYS A 127 19.769 3.757 -11.149 1.00 2.38 H new ATOM 0 HE3 LYS A 127 18.556 2.492 -11.161 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 17.739 3.995 -12.676 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 16.901 4.458 -11.274 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 18.246 5.355 -11.795 1.00 2.83 H new ATOM 2043 N ARG A 128 16.523 3.470 -6.011 1.00 0.94 N ATOM 2044 CA ARG A 128 16.234 2.059 -5.761 1.00 1.00 C ATOM 2045 C ARG A 128 14.732 1.768 -5.724 1.00 0.97 C ATOM 2046 O ARG A 128 14.291 0.709 -6.178 1.00 1.09 O ATOM 2047 CB ARG A 128 16.911 1.602 -4.463 1.00 1.14 C ATOM 2048 CG ARG A 128 16.517 2.406 -3.236 1.00 1.11 C ATOM 2049 CD ARG A 128 17.394 2.066 -2.043 1.00 1.34 C ATOM 2050 NE ARG A 128 18.816 2.096 -2.390 1.00 1.59 N ATOM 2051 CZ ARG A 128 19.808 2.096 -1.503 1.00 1.95 C ATOM 2052 NH1 ARG A 128 19.554 2.246 -0.209 1.00 2.14 N ATOM 2053 NH2 ARG A 128 21.060 2.003 -1.925 1.00 2.59 N ATOM 0 H ARG A 128 16.934 3.962 -5.218 1.00 0.94 H new ATOM 0 HA ARG A 128 16.643 1.490 -6.596 1.00 1.00 H new ATOM 0 HB2 ARG A 128 16.668 0.554 -4.290 1.00 1.14 H new ATOM 0 HB3 ARG A 128 17.992 1.661 -4.590 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.597 3.471 -3.456 1.00 1.11 H new ATOM 0 HG3 ARG A 128 15.474 2.209 -2.990 1.00 1.11 H new ATOM 0 HD2 ARG A 128 17.201 2.773 -1.236 1.00 1.34 H new ATOM 0 HD3 ARG A 128 17.132 1.076 -1.669 1.00 1.34 H new ATOM 0 HE ARG A 128 19.063 2.118 -3.379 1.00 1.59 H new ATOM 0 HH11 ARG A 128 18.593 2.362 0.112 1.00 2.14 H new ATOM 0 HH12 ARG A 128 20.320 2.245 0.465 1.00 2.14 H new ATOM 0 HH21 ARG A 128 21.258 1.932 -2.923 1.00 2.59 H new ATOM 0 HH22 ARG A 128 21.826 2.002 -1.252 1.00 2.59 H new ATOM 2067 N VAL A 129 13.946 2.704 -5.211 1.00 0.91 N ATOM 2068 CA VAL A 129 12.503 2.508 -5.110 1.00 1.04 C ATOM 2069 C VAL A 129 11.815 2.774 -6.443 1.00 1.04 C ATOM 2070 O VAL A 129 10.914 2.032 -6.854 1.00 1.19 O ATOM 2071 CB VAL A 129 11.891 3.425 -4.029 1.00 1.16 C ATOM 2072 CG1 VAL A 129 10.376 3.311 -3.990 1.00 1.43 C ATOM 2073 CG2 VAL A 129 12.480 3.104 -2.671 1.00 1.48 C ATOM 0 H VAL A 129 14.278 3.602 -4.860 1.00 0.91 H new ATOM 0 HA VAL A 129 12.341 1.467 -4.829 1.00 1.04 H new ATOM 0 HB VAL A 129 12.138 4.454 -4.289 1.00 1.16 H new ATOM 0 HG11 VAL A 129 9.981 3.971 -3.217 1.00 1.43 H new ATOM 0 HG12 VAL A 129 9.964 3.598 -4.958 1.00 1.43 H new ATOM 0 HG13 VAL A 129 10.094 2.282 -3.767 1.00 1.43 H new ATOM 0 HG21 VAL A 129 12.039 3.759 -1.919 1.00 1.48 H new ATOM 0 HG22 VAL A 129 12.267 2.065 -2.418 1.00 1.48 H new ATOM 0 HG23 VAL A 129 13.559 3.257 -2.697 1.00 1.48 H new ATOM 2083 N ARG A 130 12.266 3.818 -7.126 1.00 0.99 N ATOM 2084 CA ARG A 130 11.678 4.237 -8.392 1.00 1.14 C ATOM 2085 C ARG A 130 11.825 3.149 -9.456 1.00 1.05 C ATOM 2086 O ARG A 130 11.173 3.188 -10.492 1.00 1.24 O ATOM 2087 CB ARG A 130 12.331 5.538 -8.856 1.00 1.30 C ATOM 2088 CG ARG A 130 11.537 6.285 -9.912 1.00 1.75 C ATOM 2089 CD ARG A 130 12.140 7.652 -10.174 1.00 1.86 C ATOM 2090 NE ARG A 130 12.242 8.448 -8.949 1.00 2.36 N ATOM 2091 CZ ARG A 130 13.039 9.505 -8.817 1.00 2.92 C ATOM 2092 NH1 ARG A 130 13.785 9.899 -9.845 1.00 3.04 N ATOM 2093 NH2 ARG A 130 13.092 10.167 -7.664 1.00 3.83 N ATOM 0 H ARG A 130 13.048 4.397 -6.819 1.00 0.99 H new ATOM 0 HA ARG A 130 10.612 4.407 -8.241 1.00 1.14 H new ATOM 0 HB2 ARG A 130 12.472 6.190 -7.994 1.00 1.30 H new ATOM 0 HB3 ARG A 130 13.322 5.314 -9.252 1.00 1.30 H new ATOM 0 HG2 ARG A 130 11.519 5.707 -10.836 1.00 1.75 H new ATOM 0 HG3 ARG A 130 10.503 6.395 -9.585 1.00 1.75 H new ATOM 0 HD2 ARG A 130 13.130 7.534 -10.614 1.00 1.86 H new ATOM 0 HD3 ARG A 130 11.529 8.184 -10.903 1.00 1.86 H new ATOM 0 HE ARG A 130 11.669 8.176 -8.150 1.00 2.36 H new ATOM 0 HH11 ARG A 130 13.744 9.392 -10.729 1.00 3.04 H new ATOM 0 HH12 ARG A 130 14.398 10.709 -9.750 1.00 3.04 H new ATOM 0 HH21 ARG A 130 12.520 9.865 -6.876 1.00 3.83 H new ATOM 0 HH22 ARG A 130 13.705 10.977 -7.569 1.00 3.83 H new ATOM 2107 N ASN A 131 12.696 2.181 -9.183 1.00 0.85 N ATOM 2108 CA ASN A 131 12.924 1.050 -10.084 1.00 0.88 C ATOM 2109 C ASN A 131 11.645 0.249 -10.344 1.00 1.08 C ATOM 2110 O ASN A 131 11.551 -0.468 -11.340 1.00 1.24 O ATOM 2111 CB ASN A 131 13.966 0.100 -9.491 1.00 0.88 C ATOM 2112 CG ASN A 131 15.358 0.683 -9.422 1.00 1.70 C ATOM 2113 OD1 ASN A 131 15.750 1.502 -10.250 1.00 2.48 O ATOM 2114 ND2 ASN A 131 16.122 0.257 -8.427 1.00 2.04 N ATOM 0 H ASN A 131 13.262 2.156 -8.335 1.00 0.85 H new ATOM 0 HA ASN A 131 13.274 1.470 -11.027 1.00 0.88 H new ATOM 0 HB2 ASN A 131 13.653 -0.186 -8.487 1.00 0.88 H new ATOM 0 HB3 ASN A 131 13.994 -0.811 -10.088 1.00 0.88 H new ATOM 0 HD21 ASN A 131 17.074 0.610 -8.328 1.00 2.04 H new ATOM 0 HD22 ASN A 131 15.758 -0.424 -7.760 1.00 2.04 H new ATOM 2121 N GLY A 132 10.676 0.343 -9.439 1.00 1.23 N ATOM 2122 CA GLY A 132 9.471 -0.465 -9.575 1.00 1.61 C ATOM 2123 C GLY A 132 8.214 0.207 -9.056 1.00 1.21 C ATOM 2124 O GLY A 132 7.119 -0.023 -9.576 1.00 1.24 O ATOM 0 H GLY A 132 10.699 0.955 -8.623 1.00 1.23 H new ATOM 0 HA2 GLY A 132 9.330 -0.713 -10.627 1.00 1.61 H new ATOM 0 HA3 GLY A 132 9.614 -1.405 -9.042 1.00 1.61 H new ATOM 2128 N MET A 133 8.357 1.035 -8.031 1.00 1.24 N ATOM 2129 CA MET A 133 7.210 1.691 -7.411 1.00 1.38 C ATOM 2130 C MET A 133 6.539 2.653 -8.390 1.00 1.35 C ATOM 2131 O MET A 133 5.344 2.928 -8.280 1.00 1.56 O ATOM 2132 CB MET A 133 7.663 2.419 -6.137 1.00 2.06 C ATOM 2133 CG MET A 133 6.546 3.098 -5.346 1.00 2.92 C ATOM 2134 SD MET A 133 6.117 4.735 -5.976 1.00 3.99 S ATOM 2135 CE MET A 133 4.838 5.220 -4.817 1.00 4.83 C ATOM 0 H MET A 133 9.256 1.270 -7.609 1.00 1.24 H new ATOM 0 HA MET A 133 6.471 0.937 -7.139 1.00 1.38 H new ATOM 0 HB2 MET A 133 8.164 1.702 -5.486 1.00 2.06 H new ATOM 0 HB3 MET A 133 8.402 3.172 -6.411 1.00 2.06 H new ATOM 0 HG2 MET A 133 5.659 2.465 -5.367 1.00 2.92 H new ATOM 0 HG3 MET A 133 6.851 3.186 -4.303 1.00 2.92 H new ATOM 0 HE1 MET A 133 4.129 5.883 -5.314 1.00 4.83 H new ATOM 0 HE2 MET A 133 4.316 4.333 -4.459 1.00 4.83 H new ATOM 0 HE3 MET A 133 5.290 5.740 -3.972 1.00 4.83 H new ATOM 2145 N ASP A 134 7.303 3.102 -9.378 1.00 1.38 N ATOM 2146 CA ASP A 134 6.841 4.104 -10.334 1.00 1.84 C ATOM 2147 C ASP A 134 5.714 3.575 -11.216 1.00 1.95 C ATOM 2148 O ASP A 134 4.919 4.352 -11.742 1.00 2.41 O ATOM 2149 CB ASP A 134 8.000 4.554 -11.223 1.00 2.05 C ATOM 2150 CG ASP A 134 8.368 3.515 -12.266 1.00 2.29 C ATOM 2151 OD1 ASP A 134 8.814 2.413 -11.881 1.00 2.83 O ATOM 2152 OD2 ASP A 134 8.216 3.795 -13.474 1.00 2.28 O ATOM 0 H ASP A 134 8.258 2.784 -9.540 1.00 1.38 H new ATOM 0 HA ASP A 134 6.458 4.946 -9.758 1.00 1.84 H new ATOM 0 HB2 ASP A 134 7.731 5.485 -11.721 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.870 4.765 -10.601 1.00 2.05 H new ATOM 2157 N LYS A 135 5.647 2.262 -11.386 1.00 1.70 N ATOM 2158 CA LYS A 135 4.659 1.666 -12.277 1.00 2.03 C ATOM 2159 C LYS A 135 3.640 0.844 -11.487 1.00 1.70 C ATOM 2160 O LYS A 135 2.431 0.987 -11.674 1.00 2.17 O ATOM 2161 CB LYS A 135 5.365 0.787 -13.323 1.00 2.40 C ATOM 2162 CG LYS A 135 4.620 0.654 -14.649 1.00 3.08 C ATOM 2163 CD LYS A 135 3.303 -0.093 -14.500 1.00 3.44 C ATOM 2164 CE LYS A 135 2.533 -0.148 -15.809 1.00 3.61 C ATOM 2165 NZ LYS A 135 1.215 -0.812 -15.642 1.00 4.15 N ATOM 0 H LYS A 135 6.260 1.592 -10.922 1.00 1.70 H new ATOM 0 HA LYS A 135 4.122 2.465 -12.788 1.00 2.03 H new ATOM 0 HB2 LYS A 135 6.355 1.200 -13.517 1.00 2.40 H new ATOM 0 HB3 LYS A 135 5.512 -0.208 -12.903 1.00 2.40 H new ATOM 0 HG2 LYS A 135 4.428 1.647 -15.056 1.00 3.08 H new ATOM 0 HG3 LYS A 135 5.252 0.132 -15.367 1.00 3.08 H new ATOM 0 HD2 LYS A 135 3.498 -1.107 -14.150 1.00 3.44 H new ATOM 0 HD3 LYS A 135 2.693 0.395 -13.740 1.00 3.44 H new ATOM 0 HE2 LYS A 135 2.386 0.863 -16.188 1.00 3.61 H new ATOM 0 HE3 LYS A 135 3.120 -0.685 -16.554 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 0.612 -0.598 -16.462 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 1.351 -1.841 -15.571 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 0.758 -0.463 -14.776 1.00 4.15 H new ATOM 2179 N GLY A 136 4.142 0.002 -10.599 1.00 1.04 N ATOM 2180 CA GLY A 136 3.296 -0.917 -9.857 1.00 0.79 C ATOM 2181 C GLY A 136 2.272 -0.219 -8.993 1.00 0.65 C ATOM 2182 O GLY A 136 1.077 -0.441 -9.150 1.00 0.57 O ATOM 0 H GLY A 136 5.135 -0.064 -10.374 1.00 1.04 H new ATOM 0 HA2 GLY A 136 2.782 -1.574 -10.558 1.00 0.79 H new ATOM 0 HA3 GLY A 136 3.922 -1.549 -9.228 1.00 0.79 H new ATOM 2186 N TRP A 137 2.740 0.646 -8.103 1.00 0.68 N ATOM 2187 CA TRP A 137 1.877 1.277 -7.106 1.00 0.67 C ATOM 2188 C TRP A 137 0.751 2.109 -7.746 1.00 0.57 C ATOM 2189 O TRP A 137 -0.406 1.976 -7.350 1.00 0.56 O ATOM 2190 CB TRP A 137 2.706 2.134 -6.146 1.00 0.81 C ATOM 2191 CG TRP A 137 2.201 2.093 -4.736 1.00 0.66 C ATOM 2192 CD1 TRP A 137 2.280 1.037 -3.875 1.00 1.62 C ATOM 2193 CD2 TRP A 137 1.549 3.147 -4.019 1.00 0.93 C ATOM 2194 NE1 TRP A 137 1.715 1.366 -2.669 1.00 1.62 N ATOM 2195 CE2 TRP A 137 1.257 2.655 -2.731 1.00 0.98 C ATOM 2196 CE3 TRP A 137 1.179 4.455 -4.338 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 0.617 3.427 -1.766 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 0.543 5.219 -3.378 1.00 2.78 C ATOM 2199 CH2 TRP A 137 0.269 4.703 -2.106 1.00 2.32 C ATOM 0 H TRP A 137 3.718 0.930 -8.049 1.00 0.68 H new ATOM 0 HA TRP A 137 1.398 0.476 -6.543 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.741 1.792 -6.165 1.00 0.81 H new ATOM 0 HB3 TRP A 137 2.704 3.166 -6.496 1.00 0.81 H new ATOM 0 HD1 TRP A 137 2.723 0.080 -4.109 1.00 1.62 H new ATOM 0 HE1 TRP A 137 1.647 0.751 -1.858 1.00 1.62 H new ATOM 0 HE3 TRP A 137 1.386 4.862 -5.317 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 0.403 3.031 -0.784 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 0.252 6.232 -3.613 1.00 2.78 H new ATOM 0 HH2 TRP A 137 -0.228 5.327 -1.378 1.00 2.32 H new ATOM 2210 N PRO A 138 1.050 2.990 -8.730 1.00 0.58 N ATOM 2211 CA PRO A 138 0.004 3.720 -9.453 1.00 0.61 C ATOM 2212 C PRO A 138 -0.974 2.778 -10.150 1.00 0.58 C ATOM 2213 O PRO A 138 -2.187 2.986 -10.087 1.00 0.64 O ATOM 2214 CB PRO A 138 0.772 4.563 -10.480 1.00 0.68 C ATOM 2215 CG PRO A 138 2.129 3.954 -10.546 1.00 0.66 C ATOM 2216 CD PRO A 138 2.391 3.381 -9.187 1.00 0.63 C ATOM 0 HA PRO A 138 -0.606 4.322 -8.780 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.282 4.541 -11.454 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.823 5.608 -10.173 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.172 3.179 -11.311 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.879 4.701 -10.806 1.00 0.66 H new ATOM 0 HD2 PRO A 138 3.067 2.527 -9.232 1.00 0.63 H new ATOM 0 HD3 PRO A 138 2.847 4.114 -8.521 1.00 0.63 H new ATOM 2224 N THR A 139 -0.453 1.720 -10.778 1.00 0.57 N ATOM 2225 CA THR A 139 -1.307 0.754 -11.457 1.00 0.62 C ATOM 2226 C THR A 139 -2.191 0.050 -10.431 1.00 0.54 C ATOM 2227 O THR A 139 -3.367 -0.253 -10.683 1.00 0.55 O ATOM 2228 CB THR A 139 -0.462 -0.279 -12.230 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.355 0.390 -13.201 1.00 0.81 O ATOM 2230 CG2 THR A 139 -1.338 -1.307 -12.929 1.00 0.87 C ATOM 0 H THR A 139 0.545 1.516 -10.828 1.00 0.57 H new ATOM 0 HA THR A 139 -1.933 1.282 -12.176 1.00 0.62 H new ATOM 0 HB THR A 139 0.167 -0.801 -11.509 1.00 0.72 H new ATOM 0 HG1 THR A 139 0.993 0.976 -12.743 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.708 -2.018 -13.463 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.938 -1.837 -12.189 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.997 -0.803 -13.636 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.610 -0.166 -9.256 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.316 -0.732 -8.128 1.00 0.47 C ATOM 2240 C ILE A 140 -3.561 0.073 -7.813 1.00 0.42 C ATOM 2241 O ILE A 140 -4.643 -0.484 -7.696 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.409 -0.798 -6.877 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.427 -1.968 -6.990 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.234 -0.897 -5.606 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.429 -2.173 -5.757 1.00 0.72 C ATOM 0 H ILE A 140 -0.632 0.050 -9.065 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.608 -1.746 -8.401 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.834 0.127 -6.823 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.987 -2.882 -7.187 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.224 -1.802 -7.848 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.569 -0.942 -4.743 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.879 -0.022 -5.522 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.847 -1.798 -5.639 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.098 -3.019 -5.915 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.018 -1.275 -5.570 1.00 0.72 H new ATOM 0 HD13 ILE A 140 -0.212 -2.372 -4.898 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.406 1.386 -7.719 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.493 2.258 -7.293 1.00 0.36 C ATOM 2259 C LEU A 141 -5.676 2.222 -8.257 1.00 0.38 C ATOM 2260 O LEU A 141 -6.820 2.423 -7.843 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.987 3.687 -7.115 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.866 3.843 -6.084 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.492 5.309 -5.927 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.275 3.233 -4.743 1.00 0.56 C ATOM 0 H LEU A 141 -2.535 1.873 -7.933 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.852 1.885 -6.334 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.631 4.055 -8.077 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.824 4.321 -6.821 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.988 3.304 -6.441 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.694 5.404 -5.191 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.151 5.702 -6.885 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.363 5.873 -5.593 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.464 3.355 -4.025 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -4.167 3.737 -4.371 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.486 2.172 -4.875 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.415 1.964 -9.532 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.494 1.830 -10.508 1.00 0.48 C ATOM 2278 C GLN A 142 -7.274 0.549 -10.260 1.00 0.47 C ATOM 2279 O GLN A 142 -8.482 0.582 -10.017 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.955 1.841 -11.943 1.00 0.58 C ATOM 2281 CG GLN A 142 -5.808 3.231 -12.549 1.00 0.88 C ATOM 2282 CD GLN A 142 -4.733 4.067 -11.886 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -3.575 4.048 -12.295 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -5.112 4.815 -10.862 1.00 0.77 N ATOM 0 H GLN A 142 -4.477 1.844 -9.914 1.00 0.43 H new ATOM 0 HA GLN A 142 -7.158 2.686 -10.387 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.983 1.347 -11.957 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.621 1.252 -12.573 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -5.579 3.134 -13.610 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -6.761 3.754 -12.475 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -6.084 4.802 -10.553 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -4.432 5.404 -10.382 1.00 0.77 H new ATOM 2293 N SER A 143 -6.575 -0.576 -10.286 1.00 0.49 N ATOM 2294 CA SER A 143 -7.212 -1.864 -10.057 1.00 0.53 C ATOM 2295 C SER A 143 -7.745 -1.955 -8.624 1.00 0.45 C ATOM 2296 O SER A 143 -8.656 -2.731 -8.332 1.00 0.46 O ATOM 2297 CB SER A 143 -6.217 -2.986 -10.336 1.00 0.64 C ATOM 2298 OG SER A 143 -5.689 -2.883 -11.650 1.00 1.15 O ATOM 0 H SER A 143 -5.571 -0.623 -10.462 1.00 0.49 H new ATOM 0 HA SER A 143 -8.058 -1.967 -10.736 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.405 -2.946 -9.610 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.708 -3.951 -10.212 1.00 0.64 H new ATOM 0 HG SER A 143 -5.052 -3.612 -11.805 1.00 1.15 H new ATOM 2304 N PHE A 144 -7.161 -1.156 -7.738 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.608 -1.059 -6.357 1.00 0.36 C ATOM 2306 C PHE A 144 -9.051 -0.550 -6.302 1.00 0.32 C ATOM 2307 O PHE A 144 -9.929 -1.201 -5.735 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.675 -0.117 -5.584 1.00 0.35 C ATOM 2309 CG PHE A 144 -7.098 0.185 -4.175 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -7.204 -0.836 -3.244 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.397 1.478 -3.783 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.603 -0.574 -1.948 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.793 1.746 -2.489 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.862 0.764 -1.569 1.00 0.78 C ATOM 0 H PHE A 144 -6.365 -0.558 -7.959 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.577 -2.047 -5.897 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.678 -0.557 -5.561 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.597 0.822 -6.132 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.972 -1.850 -3.536 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.320 2.285 -4.497 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.715 -1.378 -1.235 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -8.051 2.757 -2.210 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.114 0.998 -0.545 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.285 0.602 -6.931 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.624 1.187 -7.020 1.00 0.31 C ATOM 2326 C GLN A 145 -11.580 0.248 -7.744 1.00 0.35 C ATOM 2327 O GLN A 145 -12.772 0.208 -7.448 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.558 2.523 -7.757 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.824 3.592 -6.978 1.00 0.41 C ATOM 2330 CD GLN A 145 -9.478 4.806 -7.814 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -10.239 5.767 -7.885 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -8.323 4.768 -8.454 1.00 0.66 N ATOM 0 H GLN A 145 -8.559 1.152 -7.390 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.996 1.346 -6.008 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -10.064 2.378 -8.718 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.571 2.866 -7.968 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.438 3.903 -6.133 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.908 3.169 -6.567 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.719 3.950 -8.369 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -8.035 5.556 -9.034 1.00 0.66 H new ATOM 2341 N ASP A 146 -11.038 -0.513 -8.685 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.839 -1.427 -9.491 1.00 0.43 C ATOM 2343 C ASP A 146 -12.322 -2.618 -8.679 1.00 0.40 C ATOM 2344 O ASP A 146 -13.475 -3.025 -8.809 1.00 0.44 O ATOM 2345 CB ASP A 146 -11.062 -1.914 -10.712 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.558 -1.273 -11.989 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -12.789 -1.239 -12.205 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -10.717 -0.806 -12.788 1.00 1.46 O ATOM 0 H ASP A 146 -10.043 -0.516 -8.910 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.711 -0.867 -9.829 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.003 -1.691 -10.581 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -11.152 -2.997 -10.791 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.451 -3.180 -7.847 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.848 -4.306 -7.010 1.00 0.51 C ATOM 2355 C LYS A 147 -12.816 -3.831 -5.935 1.00 0.48 C ATOM 2356 O LYS A 147 -13.744 -4.546 -5.562 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.636 -4.999 -6.370 1.00 0.64 C ATOM 2358 CG LYS A 147 -11.003 -6.285 -5.633 1.00 0.92 C ATOM 2359 CD LYS A 147 -11.670 -7.283 -6.571 1.00 1.03 C ATOM 2360 CE LYS A 147 -12.380 -8.404 -5.823 1.00 1.25 C ATOM 2361 NZ LYS A 147 -11.443 -9.311 -5.108 1.00 1.74 N ATOM 0 H LYS A 147 -10.482 -2.881 -7.735 1.00 0.42 H new ATOM 0 HA LYS A 147 -12.342 -5.040 -7.647 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.904 -5.227 -7.145 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -10.158 -4.311 -5.673 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -10.106 -6.730 -5.202 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -11.674 -6.055 -4.805 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -12.389 -6.759 -7.201 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -10.918 -7.712 -7.233 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -13.076 -7.970 -5.105 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -12.972 -8.986 -6.529 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -11.874 -10.253 -5.015 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -10.556 -9.388 -5.646 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -11.242 -8.928 -4.162 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.605 -2.614 -5.449 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.518 -2.013 -4.490 1.00 0.40 C ATOM 2377 C ILE A 148 -14.872 -1.749 -5.139 1.00 0.42 C ATOM 2378 O ILE A 148 -15.919 -1.876 -4.501 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.954 -0.698 -3.924 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.664 -0.957 -3.148 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -13.979 -0.021 -3.028 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.062 0.292 -2.549 1.00 0.37 C ATOM 0 H ILE A 148 -11.811 -2.026 -5.704 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.640 -2.718 -3.667 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.729 -0.035 -4.759 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -11.866 -1.672 -2.351 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -10.935 -1.419 -3.814 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.563 0.907 -2.636 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.878 0.199 -3.604 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.232 -0.683 -2.200 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.149 0.035 -2.012 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.828 1.001 -3.344 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.774 0.744 -1.858 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.845 -1.387 -6.415 1.00 0.41 N ATOM 2395 CA ASP A 149 -16.070 -1.202 -7.177 1.00 0.49 C ATOM 2396 C ASP A 149 -16.855 -2.504 -7.178 1.00 0.55 C ATOM 2397 O ASP A 149 -18.067 -2.503 -7.009 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.757 -0.767 -8.613 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.985 -0.286 -9.367 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -17.428 0.852 -9.116 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -17.488 -1.022 -10.233 1.00 0.77 O ATOM 0 H ASP A 149 -13.989 -1.216 -6.942 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.665 -0.416 -6.712 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -15.015 0.031 -8.592 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -15.311 -1.603 -9.151 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.134 -3.616 -7.320 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.737 -4.947 -7.308 1.00 0.68 C ATOM 2408 C GLU A 150 -17.272 -5.287 -5.919 1.00 0.75 C ATOM 2409 O GLU A 150 -18.298 -5.949 -5.786 1.00 0.89 O ATOM 2410 CB GLU A 150 -15.712 -6.000 -7.747 1.00 0.76 C ATOM 2411 CG GLU A 150 -15.161 -5.768 -9.145 1.00 0.78 C ATOM 2412 CD GLU A 150 -14.130 -6.803 -9.551 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -12.926 -6.467 -9.594 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -14.520 -7.952 -9.848 1.00 1.50 O ATOM 0 H GLU A 150 -15.122 -3.619 -7.446 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.571 -4.949 -8.010 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -14.885 -6.008 -7.037 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.176 -6.985 -7.707 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -15.983 -5.781 -9.861 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.712 -4.776 -9.193 1.00 0.78 H new ATOM 2421 N GLU A 151 -16.565 -4.826 -4.895 1.00 0.72 N ATOM 2422 CA GLU A 151 -16.972 -5.045 -3.506 1.00 0.84 C ATOM 2423 C GLU A 151 -18.312 -4.380 -3.211 1.00 0.88 C ATOM 2424 O GLU A 151 -19.179 -4.969 -2.563 1.00 1.06 O ATOM 2425 CB GLU A 151 -15.911 -4.509 -2.539 1.00 0.86 C ATOM 2426 CG GLU A 151 -14.792 -5.494 -2.243 1.00 0.95 C ATOM 2427 CD GLU A 151 -15.284 -6.702 -1.469 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -15.545 -7.748 -2.096 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -15.433 -6.605 -0.228 1.00 1.63 O ATOM 0 H GLU A 151 -15.701 -4.294 -4.998 1.00 0.72 H new ATOM 0 HA GLU A 151 -17.077 -6.120 -3.363 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -15.480 -3.599 -2.957 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -16.395 -4.232 -1.602 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -14.342 -5.823 -3.180 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -14.010 -4.993 -1.673 1.00 0.95 H new ATOM 2436 N GLY A 152 -18.472 -3.155 -3.681 1.00 0.84 N ATOM 2437 CA GLY A 152 -19.716 -2.446 -3.476 1.00 0.96 C ATOM 2438 C GLY A 152 -20.778 -2.876 -4.462 1.00 1.04 C ATOM 2439 O GLY A 152 -21.783 -3.482 -4.080 1.00 1.32 O ATOM 0 H GLY A 152 -17.763 -2.638 -4.201 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -20.071 -2.621 -2.460 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.543 -1.374 -3.573 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.541 -2.572 -5.729 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.460 -2.906 -6.806 1.00 1.47 C ATOM 2445 C ALA A 153 -20.825 -2.566 -8.147 1.00 1.29 C ATOM 2446 O ALA A 153 -20.951 -1.445 -8.637 1.00 1.70 O ATOM 2447 CB ALA A 153 -22.787 -2.175 -6.645 1.00 1.92 C ATOM 0 H ALA A 153 -19.701 -2.084 -6.040 1.00 1.14 H new ATOM 0 HA ALA A 153 -21.664 -3.976 -6.766 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -23.453 -2.445 -7.465 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -23.245 -2.457 -5.697 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -22.614 -1.099 -6.658 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.104 -3.521 -8.714 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.431 -3.315 -9.988 1.00 1.02 C ATOM 2455 C LYS A 154 -20.443 -3.319 -11.125 1.00 1.38 C ATOM 2456 O LYS A 154 -21.341 -4.164 -11.173 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.336 -4.376 -10.174 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.980 -4.710 -11.621 1.00 1.02 C ATOM 2459 CD LYS A 154 -17.322 -3.547 -12.355 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.973 -3.168 -11.757 1.00 0.73 C ATOM 2461 NZ LYS A 154 -15.241 -2.213 -12.635 1.00 1.32 N ATOM 0 H LYS A 154 -19.970 -4.448 -8.311 1.00 1.09 H new ATOM 0 HA LYS A 154 -18.946 -2.339 -9.996 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.434 -4.034 -9.666 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -18.654 -5.292 -9.676 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -17.308 -5.568 -11.636 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -18.884 -5.004 -12.154 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -17.189 -3.812 -13.404 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -17.985 -2.682 -12.326 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -16.121 -2.721 -10.774 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -15.372 -4.066 -11.612 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -14.327 -1.974 -12.201 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -15.079 -2.650 -13.565 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -15.805 -1.347 -12.753 1.00 1.32 H new ATOM 2475 N LYS A 155 -20.306 -2.352 -12.017 1.00 1.82 N ATOM 2476 CA LYS A 155 -21.260 -2.156 -13.094 1.00 2.44 C ATOM 2477 C LYS A 155 -20.854 -2.959 -14.323 1.00 3.14 C ATOM 2478 O LYS A 155 -21.272 -4.126 -14.434 1.00 3.71 O ATOM 2479 CB LYS A 155 -21.374 -0.666 -13.446 1.00 2.82 C ATOM 2480 CG LYS A 155 -21.794 0.213 -12.276 1.00 2.95 C ATOM 2481 CD LYS A 155 -20.610 0.619 -11.407 1.00 3.46 C ATOM 2482 CE LYS A 155 -21.072 1.159 -10.064 1.00 3.45 C ATOM 2483 NZ LYS A 155 -19.950 1.727 -9.267 1.00 4.22 N ATOM 2484 OXT LYS A 155 -20.120 -2.419 -15.173 1.00 3.60 O ATOM 0 H LYS A 155 -19.535 -1.685 -12.015 1.00 1.82 H new ATOM 0 HA LYS A 155 -22.234 -2.510 -12.756 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -20.413 -0.317 -13.823 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -22.096 -0.548 -14.254 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -22.288 1.108 -12.655 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -22.524 -0.320 -11.667 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -19.958 -0.241 -11.251 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -20.020 1.377 -11.923 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -21.827 1.929 -10.225 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -21.548 0.359 -9.498 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -20.120 1.553 -8.256 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -19.058 1.274 -9.551 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -19.887 2.751 -9.436 1.00 4.22 H new TER 2498 LYS A 155