USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1051 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 85 ASN :FLIP amide:sc=-0.00769 F(o=0.64,f=1.7) USER MOD Set 1.2: A 87 TYR OH : rot 52:sc= 0.913 USER MOD Set 1.3: A 118 TYR OH : rot 180:sc= 0.801 USER MOD Set 2.1: A 38 GLN :FLIP amide:sc= 0.963 F(o=1.7,f=2.5) USER MOD Set 2.2: A 40 SER OG : rot 115:sc= 1.5 USER MOD Set 3.1: A 1 TYR N :NH3+ 143:sc= 0.331 (180deg=0.0119) USER MOD Set 3.2: A 132 SER OG : rot 180:sc= -0.16 USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -131:sc= 0.107 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 171:sc=-0.00157 (180deg=-0.116) USER MOD Single : A 8 TYR OH : rot 168:sc= 0.709 USER MOD Single : A 9 CYS SG : rot -101:sc= -3.59! USER MOD Single : A 10 SER OG : rot -150:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.165 K(o=-0.16,f=-4.7!) USER MOD Single : A 14 HIS : no HE2:sc= -0.295 K(o=-0.29,f=-1.5) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 85:sc= 0.0311 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0212 K(o=-0.021,f=-4.4!) USER MOD Single : A 34 HIS : no HE2:sc= -0.663 K(o=-0.66,f=-5.6!) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.609 F(o=-1.8,f=-0.61) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 76:sc= 1.23 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.396 USER MOD Single : A 52 THR OG1 : rot 90:sc= 1.16 USER MOD Single : A 54 THR OG1 : rot -152:sc= 1.25 USER MOD Single : A 56 GLN : amide:sc= -8.6! C(o=-8.6!,f=-19!) USER MOD Single : A 57 TYR OH : rot -78:sc= 0.0355 USER MOD Single : A 60 MET CE :methyl -121:sc= -5.91! (180deg=-11.7!) USER MOD Single : A 62 THR OG1 : rot -52:sc= 1.22 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -6:sc= -0.715! USER MOD Single : A 70 GLN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 1.21 K(o=1.2,f=-0.66) USER MOD Single : A 76 CYS SG : rot 143:sc= 0.842 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0.385 X(o=0.39,f=-0.001) USER MOD Single : A 89 THR OG1 : rot -32:sc=-0.00485 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 82:sc= 0.0808 USER MOD Single : A 93 LYS NZ :NH3+ -154:sc= 1.05 (180deg=0.0425!) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.12) USER MOD Single : A 95 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-4.4!) USER MOD Single : A 98 LYS NZ :NH3+ -170:sc=-0.00858 (180deg=-0.141) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.321 F(o=-1.5!,f=-0.32) USER MOD Single : A 105 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0259) USER MOD Single : A 106 LYS NZ :NH3+ 170:sc= -0.0841 (180deg=-0.36) USER MOD Single : A 107 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.2) USER MOD Single : A 109 SER OG : rot 180:sc= -0.0519 USER MOD Single : A 110 CYS SG : rot 77:sc= -6.22! USER MOD Single : A 111 LYS NZ :NH3+ 173:sc= -0.729 (180deg=-0.823) USER MOD Single : A 116 THR OG1 : rot -128:sc= 1.31 USER MOD Single : A 117 HIS : no HE2:sc= 0.483 K(o=0.48,f=-2.2!) USER MOD Single : A 120 GLN :FLIP amide:sc= -0.0951 F(o=-0.92,f=-0.095) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0.0246 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 14.700 -9.790 10.500 1.00 2.41 N ATOM 2 CA TYR A 1 14.475 -8.858 9.372 1.00 2.09 C ATOM 3 C TYR A 1 14.224 -7.457 9.899 1.00 2.03 C ATOM 4 O TYR A 1 13.994 -7.264 11.094 1.00 2.57 O ATOM 5 CB TYR A 1 13.279 -9.309 8.531 1.00 2.90 C ATOM 6 CG TYR A 1 13.494 -10.628 7.833 1.00 3.87 C ATOM 7 CD1 TYR A 1 14.167 -10.692 6.620 1.00 4.39 C ATOM 8 CD2 TYR A 1 13.016 -11.809 8.383 1.00 4.74 C ATOM 9 CE1 TYR A 1 14.358 -11.896 5.975 1.00 5.57 C ATOM 10 CE2 TYR A 1 13.201 -13.017 7.743 1.00 5.86 C ATOM 11 CZ TYR A 1 13.905 -13.057 6.556 1.00 6.21 C ATOM 12 OH TYR A 1 14.046 -14.253 5.891 1.00 7.47 O ATOM 0 H1 TYR A 1 14.269 -10.711 10.281 1.00 2.41 H new ATOM 0 H2 TYR A 1 15.722 -9.913 10.650 1.00 2.41 H new ATOM 0 H3 TYR A 1 14.268 -9.402 11.363 1.00 2.41 H new ATOM 0 HA TYR A 1 15.366 -8.857 8.745 1.00 2.09 H new ATOM 0 HB2 TYR A 1 12.402 -9.387 9.174 1.00 2.90 H new ATOM 0 HB3 TYR A 1 13.061 -8.544 7.785 1.00 2.90 H new ATOM 0 HD1 TYR A 1 14.547 -9.784 6.175 1.00 4.39 H new ATOM 0 HD2 TYR A 1 12.491 -11.782 9.327 1.00 4.74 H new ATOM 0 HE1 TYR A 1 14.860 -11.927 5.019 1.00 5.57 H new ATOM 0 HE2 TYR A 1 12.798 -13.925 8.167 1.00 5.86 H new ATOM 0 HH TYR A 1 13.676 -14.977 6.438 1.00 7.47 H new ATOM 24 N LYS A 2 14.271 -6.484 9.007 1.00 2.03 N ATOM 25 CA LYS A 2 14.033 -5.108 9.384 1.00 2.09 C ATOM 26 C LYS A 2 12.542 -4.812 9.390 1.00 1.28 C ATOM 27 O LYS A 2 11.734 -5.619 8.922 1.00 1.83 O ATOM 28 CB LYS A 2 14.766 -4.136 8.454 1.00 3.32 C ATOM 29 CG LYS A 2 16.280 -4.162 8.617 1.00 4.26 C ATOM 30 CD LYS A 2 16.959 -3.089 7.776 1.00 5.27 C ATOM 31 CE LYS A 2 18.462 -3.062 8.022 1.00 6.31 C ATOM 32 NZ LYS A 2 19.144 -1.997 7.241 1.00 6.96 N ATOM 0 H LYS A 2 14.472 -6.624 8.017 1.00 2.03 H new ATOM 0 HA LYS A 2 14.427 -4.966 10.390 1.00 2.09 H new ATOM 0 HB2 LYS A 2 14.516 -4.376 7.421 1.00 3.32 H new ATOM 0 HB3 LYS A 2 14.406 -3.125 8.642 1.00 3.32 H new ATOM 0 HG2 LYS A 2 16.535 -4.016 9.667 1.00 4.26 H new ATOM 0 HG3 LYS A 2 16.659 -5.143 8.330 1.00 4.26 H new ATOM 0 HD2 LYS A 2 16.764 -3.275 6.720 1.00 5.27 H new ATOM 0 HD3 LYS A 2 16.532 -2.114 8.012 1.00 5.27 H new ATOM 0 HE2 LYS A 2 18.651 -2.908 9.084 1.00 6.31 H new ATOM 0 HE3 LYS A 2 18.888 -4.031 7.760 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 19.968 -2.400 6.751 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 18.483 -1.603 6.541 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 19.458 -1.242 7.884 1.00 6.96 H new ATOM 46 N LYS A 3 12.186 -3.664 9.916 1.00 0.93 N ATOM 47 CA LYS A 3 10.794 -3.281 10.047 1.00 0.96 C ATOM 48 C LYS A 3 10.193 -2.845 8.707 1.00 0.78 C ATOM 49 O LYS A 3 9.139 -3.363 8.318 1.00 1.17 O ATOM 50 CB LYS A 3 10.679 -2.134 11.026 1.00 1.91 C ATOM 51 CG LYS A 3 9.267 -1.877 11.540 1.00 2.62 C ATOM 52 CD LYS A 3 8.896 -2.777 12.721 1.00 3.43 C ATOM 53 CE LYS A 3 8.870 -4.253 12.348 1.00 4.25 C ATOM 54 NZ LYS A 3 8.374 -5.099 13.465 1.00 4.81 N ATOM 0 H LYS A 3 12.847 -2.970 10.265 1.00 0.93 H new ATOM 0 HA LYS A 3 10.244 -4.152 10.402 1.00 0.96 H new ATOM 0 HB2 LYS A 3 11.331 -2.333 11.877 1.00 1.91 H new ATOM 0 HB3 LYS A 3 11.048 -1.227 10.547 1.00 1.91 H new ATOM 0 HG2 LYS A 3 9.179 -0.833 11.842 1.00 2.62 H new ATOM 0 HG3 LYS A 3 8.555 -2.036 10.730 1.00 2.62 H new ATOM 0 HD2 LYS A 3 9.611 -2.623 13.529 1.00 3.43 H new ATOM 0 HD3 LYS A 3 7.917 -2.485 13.102 1.00 3.43 H new ATOM 0 HE2 LYS A 3 8.234 -4.395 11.475 1.00 4.25 H new ATOM 0 HE3 LYS A 3 9.873 -4.574 12.067 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 8.372 -6.096 13.171 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 8.996 -4.983 14.291 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 7.407 -4.810 13.716 1.00 4.81 H new ATOM 68 N PRO A 4 10.832 -1.874 7.993 1.00 0.45 N ATOM 69 CA PRO A 4 10.313 -1.360 6.724 1.00 0.41 C ATOM 70 C PRO A 4 9.907 -2.474 5.781 1.00 0.39 C ATOM 71 O PRO A 4 10.616 -3.464 5.626 1.00 0.53 O ATOM 72 CB PRO A 4 11.487 -0.572 6.142 1.00 0.59 C ATOM 73 CG PRO A 4 12.251 -0.117 7.330 1.00 0.72 C ATOM 74 CD PRO A 4 12.102 -1.204 8.358 1.00 0.80 C ATOM 0 HA PRO A 4 9.415 -0.760 6.867 1.00 0.41 H new ATOM 0 HB2 PRO A 4 12.100 -1.195 5.490 1.00 0.59 H new ATOM 0 HB3 PRO A 4 11.142 0.272 5.544 1.00 0.59 H new ATOM 0 HG2 PRO A 4 13.300 0.044 7.081 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.863 0.830 7.704 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.942 -1.898 8.329 1.00 0.80 H new ATOM 0 HD3 PRO A 4 12.061 -0.795 9.368 1.00 0.80 H new ATOM 82 N LYS A 5 8.750 -2.317 5.184 1.00 0.38 N ATOM 83 CA LYS A 5 8.238 -3.275 4.238 1.00 0.38 C ATOM 84 C LYS A 5 8.081 -2.626 2.874 1.00 0.35 C ATOM 85 O LYS A 5 8.081 -1.405 2.745 1.00 0.40 O ATOM 86 CB LYS A 5 6.905 -3.844 4.731 1.00 0.44 C ATOM 87 CG LYS A 5 7.038 -4.638 6.020 1.00 1.16 C ATOM 88 CD LYS A 5 5.698 -5.166 6.498 1.00 1.64 C ATOM 89 CE LYS A 5 5.853 -6.053 7.723 1.00 2.57 C ATOM 90 NZ LYS A 5 6.500 -5.343 8.863 1.00 3.33 N ATOM 0 H LYS A 5 8.136 -1.518 5.342 1.00 0.38 H new ATOM 0 HA LYS A 5 8.945 -4.099 4.146 1.00 0.38 H new ATOM 0 HB2 LYS A 5 6.202 -3.025 4.886 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.482 -4.485 3.958 1.00 0.44 H new ATOM 0 HG2 LYS A 5 7.722 -5.472 5.864 1.00 1.16 H new ATOM 0 HG3 LYS A 5 7.476 -4.006 6.793 1.00 1.16 H new ATOM 0 HD2 LYS A 5 5.040 -4.330 6.734 1.00 1.64 H new ATOM 0 HD3 LYS A 5 5.222 -5.731 5.697 1.00 1.64 H new ATOM 0 HE2 LYS A 5 4.872 -6.414 8.033 1.00 2.57 H new ATOM 0 HE3 LYS A 5 6.446 -6.929 7.461 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 6.446 -5.935 9.716 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 7.497 -5.156 8.634 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 6.009 -4.442 9.035 1.00 3.33 H new ATOM 104 N LEU A 6 7.981 -3.459 1.871 1.00 0.35 N ATOM 105 CA LEU A 6 7.875 -3.027 0.494 1.00 0.37 C ATOM 106 C LEU A 6 6.462 -3.256 -0.031 1.00 0.37 C ATOM 107 O LEU A 6 5.819 -4.250 0.320 1.00 0.46 O ATOM 108 CB LEU A 6 8.920 -3.797 -0.325 1.00 0.51 C ATOM 109 CG LEU A 6 8.689 -3.888 -1.831 1.00 0.64 C ATOM 110 CD1 LEU A 6 10.018 -3.996 -2.539 1.00 1.24 C ATOM 111 CD2 LEU A 6 7.841 -5.104 -2.170 1.00 1.49 C ATOM 0 H LEU A 6 7.970 -4.473 1.985 1.00 0.35 H new ATOM 0 HA LEU A 6 8.069 -1.958 0.411 1.00 0.37 H new ATOM 0 HB2 LEU A 6 9.891 -3.331 -0.159 1.00 0.51 H new ATOM 0 HB3 LEU A 6 8.981 -4.811 0.070 1.00 0.51 H new ATOM 0 HG LEU A 6 8.164 -2.990 -2.157 1.00 0.64 H new ATOM 0 HD11 LEU A 6 9.853 -4.061 -3.614 1.00 1.24 H new ATOM 0 HD12 LEU A 6 10.621 -3.116 -2.317 1.00 1.24 H new ATOM 0 HD13 LEU A 6 10.541 -4.889 -2.197 1.00 1.24 H new ATOM 0 HD21 LEU A 6 7.687 -5.151 -3.248 1.00 1.49 H new ATOM 0 HD22 LEU A 6 8.351 -6.008 -1.836 1.00 1.49 H new ATOM 0 HD23 LEU A 6 6.876 -5.026 -1.669 1.00 1.49 H new ATOM 123 N LEU A 7 5.981 -2.341 -0.867 1.00 0.36 N ATOM 124 CA LEU A 7 4.645 -2.465 -1.430 1.00 0.39 C ATOM 125 C LEU A 7 4.681 -3.092 -2.811 1.00 0.41 C ATOM 126 O LEU A 7 4.871 -2.406 -3.820 1.00 0.58 O ATOM 127 CB LEU A 7 3.946 -1.113 -1.534 1.00 0.55 C ATOM 128 CG LEU A 7 2.520 -1.191 -2.096 1.00 0.59 C ATOM 129 CD1 LEU A 7 1.514 -0.798 -1.028 1.00 1.53 C ATOM 130 CD2 LEU A 7 2.370 -0.322 -3.342 1.00 1.25 C ATOM 0 H LEU A 7 6.494 -1.512 -1.167 1.00 0.36 H new ATOM 0 HA LEU A 7 4.088 -3.108 -0.749 1.00 0.39 H new ATOM 0 HB2 LEU A 7 3.912 -0.656 -0.545 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.540 -0.456 -2.168 1.00 0.55 H new ATOM 0 HG LEU A 7 2.322 -2.221 -2.393 1.00 0.59 H new ATOM 0 HD11 LEU A 7 0.506 -0.857 -1.438 1.00 1.53 H new ATOM 0 HD12 LEU A 7 1.601 -1.476 -0.179 1.00 1.53 H new ATOM 0 HD13 LEU A 7 1.713 0.222 -0.699 1.00 1.53 H new ATOM 0 HD21 LEU A 7 1.350 -0.398 -3.718 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.588 0.716 -3.090 1.00 1.25 H new ATOM 0 HD23 LEU A 7 3.065 -0.663 -4.109 1.00 1.25 H new ATOM 142 N TYR A 8 4.520 -4.394 -2.859 1.00 0.50 N ATOM 143 CA TYR A 8 4.278 -5.065 -4.119 1.00 0.71 C ATOM 144 C TYR A 8 2.812 -5.512 -4.177 1.00 0.44 C ATOM 145 O TYR A 8 2.485 -6.571 -3.675 1.00 0.73 O ATOM 146 CB TYR A 8 5.248 -6.279 -4.151 1.00 1.29 C ATOM 147 CG TYR A 8 5.084 -7.304 -5.265 1.00 1.60 C ATOM 148 CD1 TYR A 8 4.048 -8.232 -5.249 1.00 1.84 C ATOM 149 CD2 TYR A 8 5.997 -7.370 -6.310 1.00 2.21 C ATOM 150 CE1 TYR A 8 3.920 -9.184 -6.238 1.00 2.43 C ATOM 151 CE2 TYR A 8 5.871 -8.320 -7.308 1.00 2.93 C ATOM 152 CZ TYR A 8 4.830 -9.223 -7.266 1.00 2.96 C ATOM 153 OH TYR A 8 4.699 -10.166 -8.254 1.00 3.74 O ATOM 0 H TYR A 8 4.552 -5.009 -2.046 1.00 0.50 H new ATOM 0 HA TYR A 8 4.453 -4.419 -4.980 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.265 -5.891 -4.203 1.00 1.29 H new ATOM 0 HB3 TYR A 8 5.156 -6.804 -3.200 1.00 1.29 H new ATOM 0 HD1 TYR A 8 3.328 -8.206 -4.444 1.00 1.84 H new ATOM 0 HD2 TYR A 8 6.818 -6.669 -6.344 1.00 2.21 H new ATOM 0 HE1 TYR A 8 3.108 -9.896 -6.205 1.00 2.43 H new ATOM 0 HE2 TYR A 8 6.586 -8.354 -8.117 1.00 2.93 H new ATOM 0 HH TYR A 8 5.296 -9.944 -8.999 1.00 3.74 H new ATOM 163 N CYS A 9 1.900 -4.711 -4.763 1.00 0.63 N ATOM 164 CA CYS A 9 0.596 -5.274 -5.121 1.00 0.75 C ATOM 165 C CYS A 9 0.201 -4.989 -6.577 1.00 1.05 C ATOM 166 O CYS A 9 -0.529 -4.048 -6.882 1.00 1.99 O ATOM 167 CB CYS A 9 -0.446 -4.677 -4.172 1.00 1.57 C ATOM 168 SG CYS A 9 -2.166 -4.907 -4.671 1.00 2.64 S ATOM 0 H CYS A 9 2.035 -3.725 -4.987 1.00 0.63 H new ATOM 0 HA CYS A 9 0.650 -6.359 -5.026 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -0.309 -5.118 -3.185 1.00 1.57 H new ATOM 0 HB3 CYS A 9 -0.253 -3.609 -4.073 1.00 1.57 H new ATOM 0 HG CYS A 9 -2.611 -3.812 -5.213 1.00 2.64 H new ATOM 174 N SER A 10 0.791 -5.737 -7.470 1.00 0.83 N ATOM 175 CA SER A 10 0.224 -6.273 -8.688 1.00 1.29 C ATOM 176 C SER A 10 0.911 -7.618 -8.793 1.00 0.84 C ATOM 177 O SER A 10 2.013 -7.715 -8.238 1.00 1.34 O ATOM 178 CB SER A 10 0.509 -5.379 -9.899 1.00 2.36 C ATOM 179 OG SER A 10 -0.148 -5.853 -11.062 1.00 3.16 O ATOM 0 H SER A 10 1.766 -6.014 -7.358 1.00 0.83 H new ATOM 0 HA SER A 10 -0.864 -6.342 -8.669 1.00 1.29 H new ATOM 0 HB2 SER A 10 0.183 -4.361 -9.685 1.00 2.36 H new ATOM 0 HB3 SER A 10 1.583 -5.339 -10.078 1.00 2.36 H new ATOM 0 HG SER A 10 0.375 -5.611 -11.855 1.00 3.16 H new ATOM 185 N ASN A 11 0.400 -8.647 -9.442 1.00 1.45 N ATOM 186 CA ASN A 11 1.333 -9.736 -9.687 1.00 1.79 C ATOM 187 C ASN A 11 2.178 -9.371 -10.914 1.00 1.40 C ATOM 188 O ASN A 11 1.778 -9.538 -12.068 1.00 1.83 O ATOM 189 CB ASN A 11 0.616 -11.086 -9.871 1.00 2.89 C ATOM 190 CG ASN A 11 -0.385 -11.110 -11.015 1.00 3.45 C ATOM 191 OD1 ASN A 11 -1.038 -10.111 -11.323 1.00 3.71 O ATOM 192 ND2 ASN A 11 -0.510 -12.263 -11.659 1.00 4.02 N ATOM 0 H ASN A 11 -0.556 -8.756 -9.781 1.00 1.45 H new ATOM 0 HA ASN A 11 1.977 -9.863 -8.817 1.00 1.79 H new ATOM 0 HB2 ASN A 11 1.363 -11.861 -10.041 1.00 2.89 H new ATOM 0 HB3 ASN A 11 0.099 -11.339 -8.945 1.00 2.89 H new ATOM 0 HD21 ASN A 11 -1.164 -12.344 -12.438 1.00 4.02 H new ATOM 0 HD22 ASN A 11 0.048 -13.069 -11.375 1.00 4.02 H new ATOM 199 N GLY A 12 3.359 -8.839 -10.613 1.00 1.41 N ATOM 200 CA GLY A 12 4.340 -8.467 -11.618 1.00 1.36 C ATOM 201 C GLY A 12 5.724 -8.385 -11.007 1.00 1.49 C ATOM 202 O GLY A 12 6.299 -9.375 -10.561 1.00 2.34 O ATOM 0 H GLY A 12 3.661 -8.654 -9.656 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.336 -9.198 -12.426 1.00 1.36 H new ATOM 0 HA3 GLY A 12 4.073 -7.506 -12.057 1.00 1.36 H new ATOM 206 N GLY A 13 6.229 -7.149 -10.977 1.00 0.97 N ATOM 207 CA GLY A 13 7.338 -6.787 -10.120 1.00 1.26 C ATOM 208 C GLY A 13 7.708 -5.313 -10.252 1.00 0.84 C ATOM 209 O GLY A 13 8.653 -4.945 -10.945 1.00 0.89 O ATOM 0 H GLY A 13 5.876 -6.381 -11.547 1.00 0.97 H new ATOM 0 HA2 GLY A 13 7.080 -7.004 -9.083 1.00 1.26 H new ATOM 0 HA3 GLY A 13 8.203 -7.401 -10.369 1.00 1.26 H new ATOM 213 N HIS A 14 6.926 -4.471 -9.590 1.00 0.78 N ATOM 214 CA HIS A 14 7.258 -3.076 -9.339 1.00 0.61 C ATOM 215 C HIS A 14 7.044 -2.810 -7.858 1.00 0.61 C ATOM 216 O HIS A 14 6.373 -3.605 -7.193 1.00 0.92 O ATOM 217 CB HIS A 14 6.407 -2.133 -10.190 1.00 0.85 C ATOM 218 CG HIS A 14 7.006 -1.791 -11.527 1.00 0.75 C ATOM 219 ND1 HIS A 14 7.534 -2.729 -12.393 1.00 1.31 N ATOM 220 CD2 HIS A 14 7.157 -0.594 -12.145 1.00 1.07 C ATOM 221 CE1 HIS A 14 7.979 -2.122 -13.478 1.00 1.17 C ATOM 222 NE2 HIS A 14 7.762 -0.831 -13.351 1.00 0.95 N ATOM 0 H HIS A 14 6.023 -4.746 -9.204 1.00 0.78 H new ATOM 0 HA HIS A 14 8.296 -2.889 -9.614 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.430 -2.589 -10.349 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.241 -1.211 -9.633 1.00 0.85 H new ATOM 0 HD1 HIS A 14 7.574 -3.734 -12.221 1.00 1.31 H new ATOM 0 HD2 HIS A 14 6.856 0.368 -11.758 1.00 1.07 H new ATOM 0 HE1 HIS A 14 8.443 -2.604 -14.326 1.00 1.17 H new ATOM 231 N PHE A 15 7.577 -1.716 -7.339 1.00 0.49 N ATOM 232 CA PHE A 15 7.489 -1.422 -5.917 1.00 0.45 C ATOM 233 C PHE A 15 7.238 0.067 -5.745 1.00 0.39 C ATOM 234 O PHE A 15 7.867 0.866 -6.423 1.00 0.41 O ATOM 235 CB PHE A 15 8.797 -1.812 -5.211 1.00 0.51 C ATOM 236 CG PHE A 15 9.443 -3.068 -5.741 1.00 0.83 C ATOM 237 CD1 PHE A 15 8.833 -4.301 -5.562 1.00 1.13 C ATOM 238 CD2 PHE A 15 10.653 -3.018 -6.419 1.00 1.15 C ATOM 239 CE1 PHE A 15 9.416 -5.456 -6.046 1.00 1.61 C ATOM 240 CE2 PHE A 15 11.240 -4.172 -6.905 1.00 1.62 C ATOM 241 CZ PHE A 15 10.645 -5.378 -6.720 1.00 1.82 C ATOM 0 H PHE A 15 8.077 -1.014 -7.884 1.00 0.49 H new ATOM 0 HA PHE A 15 6.674 -1.994 -5.475 1.00 0.45 H new ATOM 0 HB2 PHE A 15 9.505 -0.988 -5.303 1.00 0.51 H new ATOM 0 HB3 PHE A 15 8.596 -1.943 -4.148 1.00 0.51 H new ATOM 0 HD1 PHE A 15 7.891 -4.359 -5.038 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.142 -2.067 -6.569 1.00 1.15 H new ATOM 0 HE1 PHE A 15 8.931 -6.411 -5.907 1.00 1.61 H new ATOM 0 HE2 PHE A 15 12.179 -4.113 -7.436 1.00 1.62 H new ATOM 0 HZ PHE A 15 11.116 -6.276 -7.091 1.00 1.82 H new ATOM 251 N LEU A 16 6.380 0.456 -4.814 1.00 0.43 N ATOM 252 CA LEU A 16 6.014 1.852 -4.688 1.00 0.50 C ATOM 253 C LEU A 16 7.065 2.626 -3.917 1.00 0.48 C ATOM 254 O LEU A 16 7.585 2.198 -2.886 1.00 0.64 O ATOM 255 CB LEU A 16 4.669 1.988 -3.958 1.00 0.75 C ATOM 256 CG LEU A 16 4.678 2.913 -2.728 1.00 1.35 C ATOM 257 CD1 LEU A 16 4.576 4.373 -3.137 1.00 2.23 C ATOM 258 CD2 LEU A 16 3.564 2.550 -1.760 1.00 1.59 C ATOM 0 H LEU A 16 5.931 -0.169 -4.144 1.00 0.43 H new ATOM 0 HA LEU A 16 5.935 2.261 -5.695 1.00 0.50 H new ATOM 0 HB2 LEU A 16 3.927 2.358 -4.665 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.343 0.996 -3.644 1.00 0.75 H new ATOM 0 HG LEU A 16 5.631 2.770 -2.218 1.00 1.35 H new ATOM 0 HD11 LEU A 16 4.585 5.002 -2.247 1.00 2.23 H new ATOM 0 HD12 LEU A 16 5.422 4.633 -3.773 1.00 2.23 H new ATOM 0 HD13 LEU A 16 3.648 4.533 -3.685 1.00 2.23 H new ATOM 0 HD21 LEU A 16 3.595 3.220 -0.901 1.00 1.59 H new ATOM 0 HD22 LEU A 16 2.601 2.647 -2.261 1.00 1.59 H new ATOM 0 HD23 LEU A 16 3.696 1.522 -1.423 1.00 1.59 H new ATOM 270 N ARG A 17 7.372 3.763 -4.499 1.00 0.40 N ATOM 271 CA ARG A 17 8.334 4.700 -3.994 1.00 0.42 C ATOM 272 C ARG A 17 7.656 6.061 -3.977 1.00 0.35 C ATOM 273 O ARG A 17 6.727 6.290 -4.761 1.00 0.37 O ATOM 274 CB ARG A 17 9.569 4.695 -4.904 1.00 0.59 C ATOM 275 CG ARG A 17 9.458 5.631 -6.094 1.00 1.00 C ATOM 276 CD ARG A 17 10.419 5.263 -7.212 1.00 1.17 C ATOM 277 NE ARG A 17 11.824 5.284 -6.795 1.00 1.46 N ATOM 278 CZ ARG A 17 12.847 5.379 -7.649 1.00 1.93 C ATOM 279 NH1 ARG A 17 12.617 5.509 -8.950 1.00 2.43 N ATOM 280 NH2 ARG A 17 14.096 5.352 -7.205 1.00 2.61 N ATOM 0 H ARG A 17 6.938 4.067 -5.371 1.00 0.40 H new ATOM 0 HA ARG A 17 8.669 4.443 -2.989 1.00 0.42 H new ATOM 0 HB2 ARG A 17 10.443 4.973 -4.315 1.00 0.59 H new ATOM 0 HB3 ARG A 17 9.738 3.681 -5.266 1.00 0.59 H new ATOM 0 HG2 ARG A 17 8.437 5.611 -6.475 1.00 1.00 H new ATOM 0 HG3 ARG A 17 9.657 6.652 -5.769 1.00 1.00 H new ATOM 0 HD2 ARG A 17 10.171 4.268 -7.583 1.00 1.17 H new ATOM 0 HD3 ARG A 17 10.283 5.956 -8.042 1.00 1.17 H new ATOM 0 HE ARG A 17 12.032 5.223 -5.798 1.00 1.46 H new ATOM 0 HH11 ARG A 17 11.659 5.536 -9.298 1.00 2.43 H new ATOM 0 HH12 ARG A 17 13.399 5.581 -9.601 1.00 2.43 H new ATOM 0 HH21 ARG A 17 14.280 5.258 -6.206 1.00 2.61 H new ATOM 0 HH22 ARG A 17 14.873 5.425 -7.862 1.00 2.61 H new ATOM 294 N ILE A 18 8.048 6.950 -3.083 1.00 0.33 N ATOM 295 CA ILE A 18 7.436 8.258 -3.087 1.00 0.31 C ATOM 296 C ILE A 18 8.277 9.264 -3.856 1.00 0.32 C ATOM 297 O ILE A 18 9.511 9.276 -3.783 1.00 0.36 O ATOM 298 CB ILE A 18 7.142 8.807 -1.666 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.322 9.593 -1.067 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.728 7.680 -0.734 1.00 0.41 C ATOM 301 CD1 ILE A 18 9.562 8.771 -0.796 1.00 0.91 C ATOM 0 H ILE A 18 8.761 6.797 -2.370 1.00 0.33 H new ATOM 0 HA ILE A 18 6.478 8.124 -3.589 1.00 0.31 H new ATOM 0 HB ILE A 18 6.317 9.512 -1.770 1.00 0.36 H new ATOM 0 HG12 ILE A 18 8.583 10.404 -1.748 1.00 0.45 H new ATOM 0 HG13 ILE A 18 7.997 10.053 -0.134 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.526 8.084 0.258 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.829 7.200 -1.120 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.532 6.947 -0.670 1.00 0.41 H new ATOM 0 HD11 ILE A 18 10.338 9.411 -0.375 1.00 0.91 H new ATOM 0 HD12 ILE A 18 9.324 7.976 -0.089 1.00 0.91 H new ATOM 0 HD13 ILE A 18 9.919 8.333 -1.728 1.00 0.91 H new ATOM 313 N LEU A 19 7.589 10.052 -4.650 1.00 0.36 N ATOM 314 CA LEU A 19 8.153 11.252 -5.216 1.00 0.42 C ATOM 315 C LEU A 19 7.530 12.425 -4.486 1.00 0.41 C ATOM 316 O LEU A 19 6.333 12.404 -4.205 1.00 0.43 O ATOM 317 CB LEU A 19 7.877 11.356 -6.724 1.00 0.54 C ATOM 318 CG LEU A 19 8.778 10.506 -7.629 1.00 0.96 C ATOM 319 CD1 LEU A 19 8.520 9.021 -7.430 1.00 1.56 C ATOM 320 CD2 LEU A 19 8.571 10.890 -9.086 1.00 1.84 C ATOM 0 H LEU A 19 6.621 9.877 -4.921 1.00 0.36 H new ATOM 0 HA LEU A 19 9.237 11.242 -5.098 1.00 0.42 H new ATOM 0 HB2 LEU A 19 6.841 11.071 -6.905 1.00 0.54 H new ATOM 0 HB3 LEU A 19 7.977 12.400 -7.021 1.00 0.54 H new ATOM 0 HG LEU A 19 9.814 10.703 -7.354 1.00 0.96 H new ATOM 0 HD11 LEU A 19 9.174 8.447 -8.086 1.00 1.56 H new ATOM 0 HD12 LEU A 19 8.720 8.753 -6.393 1.00 1.56 H new ATOM 0 HD13 LEU A 19 7.480 8.797 -7.669 1.00 1.56 H new ATOM 0 HD21 LEU A 19 9.216 10.280 -9.718 1.00 1.84 H new ATOM 0 HD22 LEU A 19 7.530 10.723 -9.362 1.00 1.84 H new ATOM 0 HD23 LEU A 19 8.819 11.943 -9.224 1.00 1.84 H new ATOM 332 N PRO A 20 8.308 13.472 -4.195 1.00 0.54 N ATOM 333 CA PRO A 20 7.857 14.587 -3.347 1.00 0.67 C ATOM 334 C PRO A 20 6.883 15.508 -4.064 1.00 0.68 C ATOM 335 O PRO A 20 6.569 16.600 -3.591 1.00 0.84 O ATOM 336 CB PRO A 20 9.142 15.359 -3.059 1.00 0.89 C ATOM 337 CG PRO A 20 10.258 14.466 -3.489 1.00 0.96 C ATOM 338 CD PRO A 20 9.704 13.641 -4.610 1.00 0.70 C ATOM 0 HA PRO A 20 7.334 14.223 -2.462 1.00 0.67 H new ATOM 0 HB2 PRO A 20 9.163 16.302 -3.606 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.222 15.603 -2.000 1.00 0.89 H new ATOM 0 HG2 PRO A 20 11.120 15.046 -3.818 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.594 13.835 -2.666 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.786 14.149 -5.571 1.00 0.70 H new ATOM 0 HD3 PRO A 20 10.220 12.686 -4.709 1.00 0.70 H new ATOM 346 N ASP A 21 6.421 15.052 -5.208 1.00 0.62 N ATOM 347 CA ASP A 21 5.413 15.768 -5.974 1.00 0.78 C ATOM 348 C ASP A 21 4.025 15.438 -5.448 1.00 0.75 C ATOM 349 O ASP A 21 3.132 16.288 -5.433 1.00 0.99 O ATOM 350 CB ASP A 21 5.503 15.413 -7.462 1.00 0.94 C ATOM 351 CG ASP A 21 4.335 15.965 -8.258 1.00 1.51 C ATOM 352 OD1 ASP A 21 4.345 17.169 -8.586 1.00 1.71 O ATOM 353 OD2 ASP A 21 3.392 15.199 -8.545 1.00 2.30 O ATOM 0 H ASP A 21 6.729 14.179 -5.636 1.00 0.62 H new ATOM 0 HA ASP A 21 5.596 16.837 -5.862 1.00 0.78 H new ATOM 0 HB2 ASP A 21 6.435 15.804 -7.871 1.00 0.94 H new ATOM 0 HB3 ASP A 21 5.536 14.329 -7.573 1.00 0.94 H new ATOM 358 N GLY A 22 3.864 14.211 -4.979 1.00 0.59 N ATOM 359 CA GLY A 22 2.566 13.756 -4.517 1.00 0.72 C ATOM 360 C GLY A 22 2.151 12.448 -5.155 1.00 0.61 C ATOM 361 O GLY A 22 1.007 12.297 -5.577 1.00 0.81 O ATOM 0 H GLY A 22 4.610 13.519 -4.909 1.00 0.59 H new ATOM 0 HA2 GLY A 22 2.591 13.637 -3.434 1.00 0.72 H new ATOM 0 HA3 GLY A 22 1.818 14.518 -4.737 1.00 0.72 H new ATOM 365 N THR A 23 3.070 11.493 -5.231 1.00 0.43 N ATOM 366 CA THR A 23 2.800 10.251 -5.900 1.00 0.39 C ATOM 367 C THR A 23 2.967 9.058 -4.975 1.00 0.40 C ATOM 368 O THR A 23 3.846 9.036 -4.112 1.00 0.46 O ATOM 369 CB THR A 23 3.784 10.054 -7.045 1.00 0.44 C ATOM 370 OG1 THR A 23 4.239 11.323 -7.541 1.00 0.49 O ATOM 371 CG2 THR A 23 3.145 9.268 -8.170 1.00 0.59 C ATOM 0 H THR A 23 4.006 11.566 -4.833 1.00 0.43 H new ATOM 0 HA THR A 23 1.770 10.306 -6.252 1.00 0.39 H new ATOM 0 HB THR A 23 4.637 9.494 -6.663 1.00 0.44 H new ATOM 0 HG1 THR A 23 4.872 11.179 -8.275 1.00 0.49 H new ATOM 0 HG21 THR A 23 3.865 9.138 -8.978 1.00 0.59 H new ATOM 0 HG22 THR A 23 2.835 8.291 -7.800 1.00 0.59 H new ATOM 0 HG23 THR A 23 2.275 9.808 -8.543 1.00 0.59 H new ATOM 379 N VAL A 24 2.106 8.083 -5.157 1.00 0.47 N ATOM 380 CA VAL A 24 2.352 6.740 -4.669 1.00 0.56 C ATOM 381 C VAL A 24 2.516 5.851 -5.883 1.00 0.42 C ATOM 382 O VAL A 24 1.529 5.439 -6.481 1.00 0.50 O ATOM 383 CB VAL A 24 1.134 6.246 -3.863 1.00 0.91 C ATOM 384 CG1 VAL A 24 1.407 4.934 -3.156 1.00 0.97 C ATOM 385 CG2 VAL A 24 0.711 7.300 -2.879 1.00 1.61 C ATOM 0 H VAL A 24 1.218 8.195 -5.645 1.00 0.47 H new ATOM 0 HA VAL A 24 3.235 6.721 -4.030 1.00 0.56 H new ATOM 0 HB VAL A 24 0.323 6.062 -4.568 1.00 0.91 H new ATOM 0 HG11 VAL A 24 0.520 4.628 -2.602 1.00 0.97 H new ATOM 0 HG12 VAL A 24 1.658 4.170 -3.892 1.00 0.97 H new ATOM 0 HG13 VAL A 24 2.241 5.060 -2.465 1.00 0.97 H new ATOM 0 HG21 VAL A 24 -0.150 6.945 -2.313 1.00 1.61 H new ATOM 0 HG22 VAL A 24 1.533 7.510 -2.195 1.00 1.61 H new ATOM 0 HG23 VAL A 24 0.442 8.211 -3.414 1.00 1.61 H new ATOM 395 N ASP A 25 3.741 5.560 -6.272 1.00 0.37 N ATOM 396 CA ASP A 25 3.931 4.793 -7.501 1.00 0.37 C ATOM 397 C ASP A 25 4.957 3.718 -7.396 1.00 0.39 C ATOM 398 O ASP A 25 5.987 3.896 -6.763 1.00 0.43 O ATOM 399 CB ASP A 25 4.231 5.716 -8.690 1.00 0.48 C ATOM 400 CG ASP A 25 5.638 6.291 -8.678 1.00 0.80 C ATOM 401 OD1 ASP A 25 5.890 7.239 -7.894 1.00 1.16 O ATOM 402 OD2 ASP A 25 6.494 5.781 -9.428 1.00 1.10 O ATOM 0 H ASP A 25 4.594 5.828 -5.782 1.00 0.37 H new ATOM 0 HA ASP A 25 2.983 4.284 -7.673 1.00 0.37 H new ATOM 0 HB2 ASP A 25 4.083 5.160 -9.616 1.00 0.48 H new ATOM 0 HB3 ASP A 25 3.513 6.536 -8.692 1.00 0.48 H new ATOM 407 N GLY A 26 4.691 2.594 -8.043 1.00 0.38 N ATOM 408 CA GLY A 26 5.724 1.607 -8.117 1.00 0.40 C ATOM 409 C GLY A 26 6.639 1.768 -9.307 1.00 0.42 C ATOM 410 O GLY A 26 6.227 2.025 -10.437 1.00 0.52 O ATOM 0 H GLY A 26 3.810 2.360 -8.500 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.319 1.649 -7.205 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.267 0.618 -8.154 1.00 0.40 H new ATOM 414 N THR A 27 7.885 1.578 -8.992 1.00 0.42 N ATOM 415 CA THR A 27 9.001 1.569 -9.898 1.00 0.50 C ATOM 416 C THR A 27 9.935 0.517 -9.351 1.00 0.54 C ATOM 417 O THR A 27 9.984 0.363 -8.130 1.00 0.56 O ATOM 418 CB THR A 27 9.686 2.945 -9.903 1.00 0.57 C ATOM 419 OG1 THR A 27 8.793 3.945 -10.420 1.00 0.67 O ATOM 420 CG2 THR A 27 10.960 2.919 -10.717 1.00 0.70 C ATOM 0 H THR A 27 8.172 1.413 -8.027 1.00 0.42 H new ATOM 0 HA THR A 27 8.702 1.357 -10.925 1.00 0.50 H new ATOM 0 HB THR A 27 9.944 3.194 -8.874 1.00 0.57 H new ATOM 0 HG1 THR A 27 8.218 4.274 -9.698 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.422 3.906 -10.702 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.649 2.190 -10.291 1.00 0.70 H new ATOM 0 HG23 THR A 27 10.729 2.642 -11.746 1.00 0.70 H new ATOM 428 N ARG A 28 10.652 -0.256 -10.145 1.00 0.64 N ATOM 429 CA ARG A 28 11.459 -1.227 -9.458 1.00 0.71 C ATOM 430 C ARG A 28 12.873 -0.730 -9.295 1.00 0.65 C ATOM 431 O ARG A 28 13.667 -0.709 -10.231 1.00 0.72 O ATOM 432 CB ARG A 28 11.441 -2.580 -10.181 1.00 0.91 C ATOM 433 CG ARG A 28 11.524 -2.483 -11.701 1.00 1.56 C ATOM 434 CD ARG A 28 11.629 -3.854 -12.354 1.00 1.84 C ATOM 435 NE ARG A 28 12.984 -4.403 -12.277 1.00 2.32 N ATOM 436 CZ ARG A 28 13.269 -5.709 -12.279 1.00 2.92 C ATOM 437 NH1 ARG A 28 12.296 -6.613 -12.295 1.00 3.18 N ATOM 438 NH2 ARG A 28 14.531 -6.110 -12.271 1.00 3.76 N ATOM 0 H ARG A 28 10.692 -0.237 -11.164 1.00 0.64 H new ATOM 0 HA ARG A 28 11.029 -1.372 -8.467 1.00 0.71 H new ATOM 0 HB2 ARG A 28 12.276 -3.182 -9.821 1.00 0.91 H new ATOM 0 HB3 ARG A 28 10.527 -3.110 -9.912 1.00 0.91 H new ATOM 0 HG2 ARG A 28 10.642 -1.967 -12.080 1.00 1.56 H new ATOM 0 HG3 ARG A 28 12.389 -1.881 -11.979 1.00 1.56 H new ATOM 0 HD2 ARG A 28 10.934 -4.539 -11.869 1.00 1.84 H new ATOM 0 HD3 ARG A 28 11.328 -3.780 -13.399 1.00 1.84 H new ATOM 0 HE ARG A 28 13.762 -3.746 -12.218 1.00 2.32 H new ATOM 0 HH11 ARG A 28 11.321 -6.313 -12.306 1.00 3.18 H new ATOM 0 HH12 ARG A 28 12.524 -7.607 -12.296 1.00 3.18 H new ATOM 0 HH21 ARG A 28 15.285 -5.423 -12.263 1.00 3.76 H new ATOM 0 HH22 ARG A 28 14.750 -7.106 -12.272 1.00 3.76 H new ATOM 452 N ASP A 29 13.159 -0.358 -8.062 1.00 0.68 N ATOM 453 CA ASP A 29 14.505 -0.318 -7.515 1.00 0.69 C ATOM 454 C ASP A 29 14.420 -0.637 -6.032 1.00 0.81 C ATOM 455 O ASP A 29 14.103 0.245 -5.231 1.00 1.48 O ATOM 456 CB ASP A 29 15.134 1.077 -7.672 1.00 1.04 C ATOM 457 CG ASP A 29 15.453 1.457 -9.102 1.00 1.58 C ATOM 458 OD1 ASP A 29 16.507 1.026 -9.618 1.00 1.84 O ATOM 459 OD2 ASP A 29 14.633 2.160 -9.730 1.00 2.20 O ATOM 0 H ASP A 29 12.444 -0.067 -7.395 1.00 0.68 H new ATOM 0 HA ASP A 29 15.122 -1.039 -8.051 1.00 0.69 H new ATOM 0 HB2 ASP A 29 14.454 1.819 -7.254 1.00 1.04 H new ATOM 0 HB3 ASP A 29 16.051 1.118 -7.084 1.00 1.04 H new ATOM 464 N ARG A 30 14.825 -1.810 -5.612 1.00 0.62 N ATOM 465 CA ARG A 30 14.732 -2.101 -4.192 1.00 0.91 C ATOM 466 C ARG A 30 16.103 -1.996 -3.581 1.00 1.03 C ATOM 467 O ARG A 30 16.347 -2.393 -2.446 1.00 1.18 O ATOM 468 CB ARG A 30 14.065 -3.445 -3.888 1.00 1.63 C ATOM 469 CG ARG A 30 14.930 -4.681 -4.128 1.00 2.20 C ATOM 470 CD ARG A 30 15.169 -4.939 -5.609 1.00 2.58 C ATOM 471 NE ARG A 30 15.702 -6.280 -5.851 1.00 3.27 N ATOM 472 CZ ARG A 30 16.192 -6.693 -7.022 1.00 3.80 C ATOM 473 NH1 ARG A 30 16.340 -5.839 -8.028 1.00 3.96 N ATOM 474 NH2 ARG A 30 16.568 -7.957 -7.185 1.00 4.57 N ATOM 0 H ARG A 30 15.207 -2.553 -6.197 1.00 0.62 H new ATOM 0 HA ARG A 30 14.074 -1.360 -3.737 1.00 0.91 H new ATOM 0 HB2 ARG A 30 13.746 -3.444 -2.846 1.00 1.63 H new ATOM 0 HB3 ARG A 30 13.165 -3.530 -4.497 1.00 1.63 H new ATOM 0 HG2 ARG A 30 15.888 -4.555 -3.624 1.00 2.20 H new ATOM 0 HG3 ARG A 30 14.448 -5.551 -3.683 1.00 2.20 H new ATOM 0 HD2 ARG A 30 14.233 -4.817 -6.154 1.00 2.58 H new ATOM 0 HD3 ARG A 30 15.865 -4.196 -5.999 1.00 2.58 H new ATOM 0 HE ARG A 30 15.699 -6.942 -5.075 1.00 3.27 H new ATOM 0 HH11 ARG A 30 16.079 -4.860 -7.909 1.00 3.96 H new ATOM 0 HH12 ARG A 30 16.715 -6.162 -8.920 1.00 3.96 H new ATOM 0 HH21 ARG A 30 16.483 -8.618 -6.413 1.00 4.57 H new ATOM 0 HH22 ARG A 30 16.942 -8.266 -8.082 1.00 4.57 H new ATOM 488 N SER A 31 16.990 -1.441 -4.376 1.00 1.72 N ATOM 489 CA SER A 31 18.294 -1.061 -3.919 1.00 2.60 C ATOM 490 C SER A 31 18.324 0.445 -3.713 1.00 2.41 C ATOM 491 O SER A 31 19.381 1.013 -3.430 1.00 2.90 O ATOM 492 CB SER A 31 19.352 -1.488 -4.935 1.00 3.49 C ATOM 493 OG SER A 31 19.270 -2.879 -5.190 1.00 4.00 O ATOM 0 H SER A 31 16.819 -1.242 -5.362 1.00 1.72 H new ATOM 0 HA SER A 31 18.514 -1.558 -2.974 1.00 2.60 H new ATOM 0 HB2 SER A 31 19.215 -0.934 -5.864 1.00 3.49 H new ATOM 0 HB3 SER A 31 20.345 -1.240 -4.559 1.00 3.49 H new ATOM 0 HG SER A 31 19.954 -3.133 -5.844 1.00 4.00 H new ATOM 499 N ASP A 32 17.164 1.106 -3.852 1.00 1.76 N ATOM 500 CA ASP A 32 17.119 2.524 -3.623 1.00 1.59 C ATOM 501 C ASP A 32 16.525 2.779 -2.242 1.00 1.18 C ATOM 502 O ASP A 32 16.134 1.849 -1.535 1.00 1.25 O ATOM 503 CB ASP A 32 16.267 3.170 -4.736 1.00 1.59 C ATOM 504 CG ASP A 32 16.053 4.661 -4.566 1.00 1.92 C ATOM 505 OD1 ASP A 32 17.043 5.381 -4.314 1.00 2.08 O ATOM 506 OD2 ASP A 32 14.906 5.124 -4.710 1.00 2.37 O ATOM 0 H ASP A 32 16.276 0.678 -4.116 1.00 1.76 H new ATOM 0 HA ASP A 32 18.116 2.963 -3.651 1.00 1.59 H new ATOM 0 HB2 ASP A 32 16.748 2.990 -5.697 1.00 1.59 H new ATOM 0 HB3 ASP A 32 15.296 2.676 -4.768 1.00 1.59 H new ATOM 511 N GLN A 33 16.415 4.033 -1.892 1.00 1.02 N ATOM 512 CA GLN A 33 15.942 4.447 -0.603 1.00 0.76 C ATOM 513 C GLN A 33 14.548 5.053 -0.660 1.00 0.55 C ATOM 514 O GLN A 33 14.317 6.094 -0.063 1.00 0.72 O ATOM 515 CB GLN A 33 16.936 5.451 -0.071 1.00 1.03 C ATOM 516 CG GLN A 33 17.971 4.852 0.860 1.00 1.73 C ATOM 517 CD GLN A 33 19.223 4.366 0.149 1.00 2.18 C ATOM 518 OE1 GLN A 33 19.181 3.948 -1.006 1.00 2.42 O ATOM 519 NE2 GLN A 33 20.352 4.413 0.839 1.00 2.92 N ATOM 0 H GLN A 33 16.657 4.808 -2.509 1.00 1.02 H new ATOM 0 HA GLN A 33 15.862 3.579 0.051 1.00 0.76 H new ATOM 0 HB2 GLN A 33 17.446 5.923 -0.911 1.00 1.03 H new ATOM 0 HB3 GLN A 33 16.397 6.237 0.458 1.00 1.03 H new ATOM 0 HG2 GLN A 33 18.252 5.597 1.604 1.00 1.73 H new ATOM 0 HG3 GLN A 33 17.523 4.017 1.399 1.00 1.73 H new ATOM 0 HE21 GLN A 33 20.351 4.766 1.796 1.00 2.92 H new ATOM 0 HE22 GLN A 33 21.223 4.096 0.414 1.00 2.92 H new ATOM 528 N HIS A 34 13.621 4.440 -1.380 1.00 0.44 N ATOM 529 CA HIS A 34 12.281 5.014 -1.484 1.00 0.36 C ATOM 530 C HIS A 34 11.182 3.964 -1.365 1.00 0.32 C ATOM 531 O HIS A 34 10.018 4.314 -1.194 1.00 0.37 O ATOM 532 CB HIS A 34 12.120 5.786 -2.798 1.00 0.57 C ATOM 533 CG HIS A 34 12.858 7.093 -2.838 1.00 0.85 C ATOM 534 ND1 HIS A 34 14.046 7.268 -3.511 1.00 1.54 N ATOM 535 CD2 HIS A 34 12.560 8.296 -2.295 1.00 1.29 C ATOM 536 CE1 HIS A 34 14.446 8.518 -3.377 1.00 1.61 C ATOM 537 NE2 HIS A 34 13.562 9.163 -2.645 1.00 1.34 N ATOM 0 H HIS A 34 13.761 3.568 -1.890 1.00 0.44 H new ATOM 0 HA HIS A 34 12.173 5.700 -0.644 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.468 5.160 -3.619 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.060 5.975 -2.968 1.00 0.57 H new ATOM 0 HD1 HIS A 34 14.540 6.544 -4.032 1.00 1.54 H new ATOM 0 HD2 HIS A 34 11.692 8.530 -1.696 1.00 1.29 H new ATOM 0 HE1 HIS A 34 15.347 8.941 -3.797 1.00 1.61 H new ATOM 546 N ILE A 35 11.541 2.686 -1.482 1.00 0.38 N ATOM 547 CA ILE A 35 10.555 1.612 -1.422 1.00 0.45 C ATOM 548 C ILE A 35 10.299 1.081 0.002 1.00 0.46 C ATOM 549 O ILE A 35 9.745 -0.007 0.153 1.00 0.63 O ATOM 550 CB ILE A 35 10.963 0.438 -2.353 1.00 0.63 C ATOM 551 CG1 ILE A 35 12.418 -0.018 -2.121 1.00 1.16 C ATOM 552 CG2 ILE A 35 10.778 0.837 -3.807 1.00 1.51 C ATOM 553 CD1 ILE A 35 12.629 -0.863 -0.880 1.00 2.04 C ATOM 0 H ILE A 35 12.502 2.372 -1.618 1.00 0.38 H new ATOM 0 HA ILE A 35 9.619 2.054 -1.765 1.00 0.45 H new ATOM 0 HB ILE A 35 10.313 -0.403 -2.112 1.00 0.63 H new ATOM 0 HG12 ILE A 35 12.749 -0.586 -2.991 1.00 1.16 H new ATOM 0 HG13 ILE A 35 13.054 0.864 -2.055 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.067 0.007 -4.452 1.00 1.51 H new ATOM 0 HG22 ILE A 35 9.732 1.088 -3.985 1.00 1.51 H new ATOM 0 HG23 ILE A 35 11.402 1.703 -4.029 1.00 1.51 H new ATOM 0 HD11 ILE A 35 13.681 -1.136 -0.800 1.00 2.04 H new ATOM 0 HD12 ILE A 35 12.334 -0.294 0.002 1.00 2.04 H new ATOM 0 HD13 ILE A 35 12.024 -1.767 -0.948 1.00 2.04 H new ATOM 565 N GLN A 36 10.685 1.822 1.046 1.00 0.38 N ATOM 566 CA GLN A 36 10.562 1.280 2.405 1.00 0.37 C ATOM 567 C GLN A 36 9.463 1.962 3.225 1.00 0.35 C ATOM 568 O GLN A 36 9.672 3.014 3.846 1.00 0.35 O ATOM 569 CB GLN A 36 11.896 1.392 3.147 1.00 0.43 C ATOM 570 CG GLN A 36 12.473 2.803 3.177 1.00 0.52 C ATOM 571 CD GLN A 36 13.675 2.960 2.262 1.00 0.71 C ATOM 572 OE1 GLN A 36 13.727 2.164 1.202 1.00 1.17 O flip ATOM 573 NE2 GLN A 36 14.558 3.780 2.515 1.00 1.29 N flip ATOM 0 H GLN A 36 11.071 2.764 0.984 1.00 0.38 H new ATOM 0 HA GLN A 36 10.282 0.233 2.293 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.761 1.044 4.171 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.619 0.725 2.677 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.701 3.514 2.882 1.00 0.52 H new ATOM 0 HG3 GLN A 36 12.763 3.052 4.198 1.00 0.52 H new ATOM 0 HE21 GLN A 36 14.481 4.374 3.340 1.00 1.29 H new ATOM 0 HE22 GLN A 36 15.367 3.865 1.899 1.00 1.29 H new ATOM 582 N LEU A 37 8.324 1.302 3.316 1.00 0.36 N ATOM 583 CA LEU A 37 7.210 1.803 4.102 1.00 0.35 C ATOM 584 C LEU A 37 6.955 0.887 5.281 1.00 0.37 C ATOM 585 O LEU A 37 7.127 -0.319 5.187 1.00 0.48 O ATOM 586 CB LEU A 37 5.936 1.946 3.259 1.00 0.38 C ATOM 587 CG LEU A 37 5.461 0.687 2.524 1.00 0.45 C ATOM 588 CD1 LEU A 37 3.954 0.720 2.342 1.00 0.94 C ATOM 589 CD2 LEU A 37 6.143 0.570 1.165 1.00 0.94 C ATOM 0 H LEU A 37 8.144 0.411 2.852 1.00 0.36 H new ATOM 0 HA LEU A 37 7.479 2.796 4.464 1.00 0.35 H new ATOM 0 HB2 LEU A 37 5.131 2.285 3.911 1.00 0.38 H new ATOM 0 HB3 LEU A 37 6.101 2.731 2.521 1.00 0.38 H new ATOM 0 HG LEU A 37 5.728 -0.181 3.126 1.00 0.45 H new ATOM 0 HD11 LEU A 37 3.631 -0.180 1.819 1.00 0.94 H new ATOM 0 HD12 LEU A 37 3.471 0.766 3.318 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.677 1.598 1.759 1.00 0.94 H new ATOM 0 HD21 LEU A 37 5.793 -0.330 0.659 1.00 0.94 H new ATOM 0 HD22 LEU A 37 5.901 1.444 0.560 1.00 0.94 H new ATOM 0 HD23 LEU A 37 7.223 0.512 1.304 1.00 0.94 H new ATOM 601 N GLN A 38 6.536 1.453 6.388 1.00 0.34 N ATOM 602 CA GLN A 38 6.361 0.683 7.596 1.00 0.39 C ATOM 603 C GLN A 38 4.918 0.199 7.667 1.00 0.40 C ATOM 604 O GLN A 38 3.999 0.980 7.907 1.00 0.41 O ATOM 605 CB GLN A 38 6.733 1.544 8.810 1.00 0.45 C ATOM 606 CG GLN A 38 7.298 0.754 9.982 1.00 0.93 C ATOM 607 CD GLN A 38 6.291 -0.187 10.608 1.00 1.37 C ATOM 608 OE1 GLN A 38 5.589 0.289 11.622 1.00 2.05 O flip ATOM 609 NE2 GLN A 38 6.154 -1.341 10.195 1.00 2.12 N flip ATOM 0 H GLN A 38 6.310 2.444 6.477 1.00 0.34 H new ATOM 0 HA GLN A 38 7.015 -0.189 7.595 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.465 2.290 8.502 1.00 0.45 H new ATOM 0 HB3 GLN A 38 5.847 2.085 9.143 1.00 0.45 H new ATOM 0 HG2 GLN A 38 8.160 0.180 9.643 1.00 0.93 H new ATOM 0 HG3 GLN A 38 7.657 1.449 10.741 1.00 0.93 H new ATOM 0 HE21 GLN A 38 6.715 -1.671 9.410 1.00 2.12 H new ATOM 0 HE22 GLN A 38 5.480 -1.965 10.639 1.00 2.12 H new ATOM 618 N LEU A 39 4.732 -1.092 7.441 1.00 0.43 N ATOM 619 CA LEU A 39 3.404 -1.677 7.387 1.00 0.46 C ATOM 620 C LEU A 39 3.179 -2.548 8.616 1.00 0.55 C ATOM 621 O LEU A 39 3.639 -3.691 8.675 1.00 0.77 O ATOM 622 CB LEU A 39 3.247 -2.497 6.092 1.00 0.61 C ATOM 623 CG LEU A 39 1.809 -2.818 5.648 1.00 1.05 C ATOM 624 CD1 LEU A 39 1.133 -3.818 6.580 1.00 1.75 C ATOM 625 CD2 LEU A 39 0.988 -1.542 5.554 1.00 1.45 C ATOM 0 H LEU A 39 5.490 -1.757 7.291 1.00 0.43 H new ATOM 0 HA LEU A 39 2.654 -0.886 7.383 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.740 -1.956 5.284 1.00 0.61 H new ATOM 0 HB3 LEU A 39 3.782 -3.438 6.218 1.00 0.61 H new ATOM 0 HG LEU A 39 1.866 -3.279 4.662 1.00 1.05 H new ATOM 0 HD11 LEU A 39 0.120 -4.015 6.229 1.00 1.75 H new ATOM 0 HD12 LEU A 39 1.701 -4.748 6.590 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.094 -3.406 7.588 1.00 1.75 H new ATOM 0 HD21 LEU A 39 -0.027 -1.785 5.239 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.959 -1.056 6.529 1.00 1.45 H new ATOM 0 HD23 LEU A 39 1.443 -0.870 4.827 1.00 1.45 H new ATOM 637 N SER A 40 2.521 -1.986 9.611 1.00 0.46 N ATOM 638 CA SER A 40 2.191 -2.728 10.813 1.00 0.56 C ATOM 639 C SER A 40 0.692 -2.972 10.916 1.00 0.42 C ATOM 640 O SER A 40 -0.105 -2.273 10.293 1.00 0.37 O ATOM 641 CB SER A 40 2.683 -1.982 12.052 1.00 0.71 C ATOM 642 OG SER A 40 4.098 -1.952 12.105 1.00 1.38 O ATOM 0 H SER A 40 2.204 -1.017 9.611 1.00 0.46 H new ATOM 0 HA SER A 40 2.692 -3.694 10.755 1.00 0.56 H new ATOM 0 HB2 SER A 40 2.295 -0.963 12.044 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.293 -2.464 12.948 1.00 0.71 H new ATOM 0 HG SER A 40 4.409 -1.026 12.023 1.00 1.38 H new ATOM 648 N ALA A 41 0.325 -3.969 11.698 1.00 0.56 N ATOM 649 CA ALA A 41 -1.061 -4.196 12.059 1.00 0.56 C ATOM 650 C ALA A 41 -1.192 -4.019 13.558 1.00 0.64 C ATOM 651 O ALA A 41 -0.850 -4.916 14.328 1.00 0.84 O ATOM 652 CB ALA A 41 -1.507 -5.586 11.639 1.00 0.89 C ATOM 0 H ALA A 41 0.977 -4.643 12.100 1.00 0.56 H new ATOM 0 HA ALA A 41 -1.702 -3.482 11.542 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -2.550 -5.734 11.920 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.404 -5.690 10.559 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -0.888 -6.333 12.136 1.00 0.89 H new ATOM 658 N GLU A 42 -1.665 -2.861 13.981 1.00 0.92 N ATOM 659 CA GLU A 42 -1.536 -2.490 15.380 1.00 1.34 C ATOM 660 C GLU A 42 -2.876 -2.518 16.101 1.00 1.34 C ATOM 661 O GLU A 42 -2.958 -2.966 17.244 1.00 1.64 O ATOM 662 CB GLU A 42 -0.870 -1.119 15.489 1.00 1.88 C ATOM 663 CG GLU A 42 0.153 -1.040 16.609 1.00 2.46 C ATOM 664 CD GLU A 42 1.225 0.000 16.353 1.00 2.62 C ATOM 665 OE1 GLU A 42 2.042 -0.198 15.433 1.00 2.70 O ATOM 666 OE2 GLU A 42 1.242 1.028 17.065 1.00 3.12 O ATOM 0 H GLU A 42 -2.133 -2.173 13.391 1.00 0.92 H new ATOM 0 HA GLU A 42 -0.905 -3.228 15.874 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -0.383 -0.882 14.543 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -1.637 -0.361 15.651 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -0.356 -0.808 17.544 1.00 2.46 H new ATOM 0 HG3 GLU A 42 0.622 -2.016 16.736 1.00 2.46 H new ATOM 673 N SER A 43 -3.918 -2.061 15.437 1.00 1.09 N ATOM 674 CA SER A 43 -5.245 -2.091 16.015 1.00 1.14 C ATOM 675 C SER A 43 -5.959 -3.335 15.522 1.00 1.00 C ATOM 676 O SER A 43 -5.515 -3.950 14.553 1.00 1.09 O ATOM 677 CB SER A 43 -6.014 -0.828 15.630 1.00 1.24 C ATOM 678 OG SER A 43 -5.356 0.338 16.100 1.00 1.59 O ATOM 0 H SER A 43 -3.871 -1.665 14.498 1.00 1.09 H new ATOM 0 HA SER A 43 -5.181 -2.121 17.103 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.117 -0.778 14.546 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.021 -0.872 16.044 1.00 1.24 H new ATOM 0 HG SER A 43 -5.869 1.131 15.838 1.00 1.59 H new ATOM 684 N VAL A 44 -7.044 -3.720 16.181 1.00 0.92 N ATOM 685 CA VAL A 44 -7.761 -4.920 15.786 1.00 0.91 C ATOM 686 C VAL A 44 -8.225 -4.829 14.328 1.00 0.77 C ATOM 687 O VAL A 44 -9.007 -3.956 13.956 1.00 0.79 O ATOM 688 CB VAL A 44 -8.969 -5.179 16.717 1.00 1.07 C ATOM 689 CG1 VAL A 44 -8.491 -5.597 18.099 1.00 1.85 C ATOM 690 CG2 VAL A 44 -9.866 -3.950 16.817 1.00 1.83 C ATOM 0 H VAL A 44 -7.441 -3.225 16.980 1.00 0.92 H new ATOM 0 HA VAL A 44 -7.071 -5.759 15.877 1.00 0.91 H new ATOM 0 HB VAL A 44 -9.557 -5.989 16.285 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -9.352 -5.776 18.743 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -7.902 -6.510 18.019 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -7.876 -4.805 18.526 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -10.705 -4.165 17.478 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -9.294 -3.113 17.217 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -10.241 -3.692 15.827 1.00 1.83 H new ATOM 700 N GLY A 45 -7.687 -5.716 13.499 1.00 0.73 N ATOM 701 CA GLY A 45 -8.079 -5.789 12.101 1.00 0.67 C ATOM 702 C GLY A 45 -7.446 -4.689 11.278 1.00 0.54 C ATOM 703 O GLY A 45 -7.559 -4.670 10.055 1.00 0.56 O ATOM 0 H GLY A 45 -6.977 -6.395 13.774 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -7.791 -6.758 11.694 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.164 -5.721 12.024 1.00 0.67 H new ATOM 707 N GLU A 46 -6.773 -3.781 11.954 1.00 0.56 N ATOM 708 CA GLU A 46 -6.242 -2.593 11.341 1.00 0.50 C ATOM 709 C GLU A 46 -4.827 -2.796 10.820 1.00 0.40 C ATOM 710 O GLU A 46 -3.995 -3.435 11.467 1.00 0.48 O ATOM 711 CB GLU A 46 -6.197 -1.478 12.371 1.00 0.75 C ATOM 712 CG GLU A 46 -6.531 -0.124 11.815 1.00 1.02 C ATOM 713 CD GLU A 46 -8.014 0.036 11.576 1.00 1.35 C ATOM 714 OE1 GLU A 46 -8.490 -0.364 10.487 1.00 1.80 O ATOM 715 OE2 GLU A 46 -8.706 0.580 12.448 1.00 1.67 O ATOM 0 H GLU A 46 -6.580 -3.853 12.953 1.00 0.56 H new ATOM 0 HA GLU A 46 -6.892 -2.345 10.502 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -6.894 -1.712 13.176 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -5.201 -1.444 12.812 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.189 0.647 12.506 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -5.994 0.027 10.879 1.00 1.02 H new ATOM 722 N VAL A 47 -4.567 -2.234 9.660 1.00 0.33 N ATOM 723 CA VAL A 47 -3.215 -2.105 9.150 1.00 0.33 C ATOM 724 C VAL A 47 -2.885 -0.644 8.933 1.00 0.33 C ATOM 725 O VAL A 47 -3.730 0.142 8.499 1.00 0.36 O ATOM 726 CB VAL A 47 -2.946 -2.879 7.853 1.00 0.40 C ATOM 727 CG1 VAL A 47 -2.933 -4.371 8.120 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.957 -2.524 6.777 1.00 0.48 C ATOM 0 H VAL A 47 -5.284 -1.853 9.043 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.572 -2.549 9.910 1.00 0.33 H new ATOM 0 HB VAL A 47 -1.963 -2.588 7.483 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.741 -4.905 7.190 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.150 -4.605 8.841 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -3.899 -4.677 8.522 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.738 -3.090 5.871 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.960 -2.770 7.125 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.899 -1.457 6.561 1.00 0.48 H new ATOM 738 N TYR A 48 -1.665 -0.282 9.246 1.00 0.34 N ATOM 739 CA TYR A 48 -1.260 1.105 9.188 1.00 0.36 C ATOM 740 C TYR A 48 -0.114 1.258 8.197 1.00 0.38 C ATOM 741 O TYR A 48 0.920 0.598 8.316 1.00 0.39 O ATOM 742 CB TYR A 48 -0.850 1.572 10.592 1.00 0.41 C ATOM 743 CG TYR A 48 -0.685 3.070 10.755 1.00 0.55 C ATOM 744 CD1 TYR A 48 -1.100 3.965 9.776 1.00 0.91 C ATOM 745 CD2 TYR A 48 -0.107 3.585 11.908 1.00 1.47 C ATOM 746 CE1 TYR A 48 -0.938 5.329 9.940 1.00 1.00 C ATOM 747 CE2 TYR A 48 0.054 4.944 12.081 1.00 1.79 C ATOM 748 CZ TYR A 48 -0.361 5.811 11.095 1.00 1.23 C ATOM 749 OH TYR A 48 -0.184 7.165 11.265 1.00 1.60 O ATOM 0 H TYR A 48 -0.933 -0.927 9.544 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.089 1.726 8.848 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.599 1.226 11.305 1.00 0.41 H new ATOM 0 HB3 TYR A 48 0.090 1.089 10.857 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -1.557 3.589 8.872 1.00 0.91 H new ATOM 0 HD2 TYR A 48 0.222 2.909 12.683 1.00 1.47 H new ATOM 0 HE1 TYR A 48 -1.262 6.012 9.168 1.00 1.00 H new ATOM 0 HE2 TYR A 48 0.503 5.326 12.986 1.00 1.79 H new ATOM 0 HH TYR A 48 -1.042 7.581 11.492 1.00 1.60 H new ATOM 759 N ILE A 49 -0.319 2.134 7.225 1.00 0.42 N ATOM 760 CA ILE A 49 0.660 2.382 6.179 1.00 0.44 C ATOM 761 C ILE A 49 1.464 3.612 6.537 1.00 0.42 C ATOM 762 O ILE A 49 0.963 4.737 6.500 1.00 0.52 O ATOM 763 CB ILE A 49 -0.001 2.581 4.796 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.814 1.343 4.410 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.055 2.878 3.736 1.00 0.58 C ATOM 766 CD1 ILE A 49 -1.491 1.453 3.060 1.00 1.20 C ATOM 0 H ILE A 49 -1.168 2.692 7.140 1.00 0.42 H new ATOM 0 HA ILE A 49 1.306 1.507 6.109 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.677 3.434 4.856 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -0.156 0.474 4.406 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -1.572 1.165 5.173 1.00 0.62 H new ATOM 0 HG21 ILE A 49 0.571 3.015 2.769 1.00 0.58 H new ATOM 0 HG22 ILE A 49 1.594 3.787 4.004 1.00 0.58 H new ATOM 0 HG23 ILE A 49 1.755 2.045 3.676 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -2.048 0.538 2.856 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -2.176 2.301 3.064 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -0.738 1.599 2.286 1.00 1.20 H new ATOM 778 N LYS A 50 2.702 3.381 6.906 1.00 0.36 N ATOM 779 CA LYS A 50 3.561 4.431 7.396 1.00 0.37 C ATOM 780 C LYS A 50 4.780 4.587 6.514 1.00 0.35 C ATOM 781 O LYS A 50 5.210 3.654 5.851 1.00 0.36 O ATOM 782 CB LYS A 50 4.001 4.144 8.830 1.00 0.44 C ATOM 783 CG LYS A 50 2.846 4.016 9.806 1.00 0.93 C ATOM 784 CD LYS A 50 3.331 3.924 11.243 1.00 0.88 C ATOM 785 CE LYS A 50 4.092 5.175 11.650 1.00 1.35 C ATOM 786 NZ LYS A 50 4.489 5.151 13.082 1.00 1.86 N ATOM 0 H LYS A 50 3.141 2.461 6.875 1.00 0.36 H new ATOM 0 HA LYS A 50 2.991 5.360 7.377 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.582 3.222 8.845 1.00 0.44 H new ATOM 0 HB3 LYS A 50 4.662 4.943 9.165 1.00 0.44 H new ATOM 0 HG2 LYS A 50 2.183 4.875 9.700 1.00 0.93 H new ATOM 0 HG3 LYS A 50 2.260 3.130 9.562 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.479 3.781 11.908 1.00 0.88 H new ATOM 0 HD3 LYS A 50 3.974 3.051 11.357 1.00 0.88 H new ATOM 0 HE2 LYS A 50 4.983 5.274 11.030 1.00 1.35 H new ATOM 0 HE3 LYS A 50 3.473 6.052 11.461 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 5.005 6.024 13.314 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 3.639 5.083 13.677 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 5.102 4.329 13.259 1.00 1.86 H new ATOM 800 N SER A 51 5.304 5.785 6.494 1.00 0.40 N ATOM 801 CA SER A 51 6.589 6.043 5.930 1.00 0.39 C ATOM 802 C SER A 51 7.625 5.741 6.977 1.00 0.39 C ATOM 803 O SER A 51 7.456 6.071 8.152 1.00 0.48 O ATOM 804 CB SER A 51 6.668 7.526 5.553 1.00 0.48 C ATOM 805 OG SER A 51 7.897 7.843 4.931 1.00 1.10 O ATOM 0 H SER A 51 4.841 6.611 6.874 1.00 0.40 H new ATOM 0 HA SER A 51 6.756 5.429 5.045 1.00 0.39 H new ATOM 0 HB2 SER A 51 5.846 7.775 4.882 1.00 0.48 H new ATOM 0 HB3 SER A 51 6.545 8.136 6.448 1.00 0.48 H new ATOM 0 HG SER A 51 7.912 8.796 4.703 1.00 1.10 H new ATOM 811 N THR A 52 8.678 5.077 6.556 1.00 0.35 N ATOM 812 CA THR A 52 9.824 4.953 7.390 1.00 0.41 C ATOM 813 C THR A 52 10.536 6.284 7.276 1.00 0.45 C ATOM 814 O THR A 52 10.134 7.258 7.911 1.00 0.53 O ATOM 815 CB THR A 52 10.728 3.787 6.954 1.00 0.43 C ATOM 816 OG1 THR A 52 9.922 2.662 6.572 1.00 0.62 O ATOM 817 CG2 THR A 52 11.654 3.382 8.082 1.00 0.77 C ATOM 0 H THR A 52 8.753 4.622 5.646 1.00 0.35 H new ATOM 0 HA THR A 52 9.549 4.726 8.420 1.00 0.41 H new ATOM 0 HB THR A 52 11.327 4.114 6.104 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.711 2.720 5.617 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.286 2.556 7.755 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.280 4.230 8.361 1.00 0.77 H new ATOM 0 HG23 THR A 52 11.063 3.069 8.943 1.00 0.77 H new ATOM 825 N GLU A 53 11.570 6.361 6.488 1.00 0.46 N ATOM 826 CA GLU A 53 12.063 7.671 6.126 1.00 0.53 C ATOM 827 C GLU A 53 11.379 8.124 4.838 1.00 0.44 C ATOM 828 O GLU A 53 10.883 9.244 4.729 1.00 0.47 O ATOM 829 CB GLU A 53 13.579 7.645 5.933 1.00 0.68 C ATOM 830 CG GLU A 53 14.180 9.012 5.664 1.00 1.43 C ATOM 831 CD GLU A 53 14.012 9.953 6.837 1.00 1.83 C ATOM 832 OE1 GLU A 53 12.929 10.563 6.956 1.00 2.55 O ATOM 833 OE2 GLU A 53 14.957 10.090 7.643 1.00 2.11 O ATOM 0 H GLU A 53 12.076 5.569 6.093 1.00 0.46 H new ATOM 0 HA GLU A 53 11.836 8.371 6.930 1.00 0.53 H new ATOM 0 HB2 GLU A 53 14.043 7.222 6.824 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.820 6.981 5.102 1.00 0.68 H new ATOM 0 HG2 GLU A 53 15.241 8.902 5.438 1.00 1.43 H new ATOM 0 HG3 GLU A 53 13.709 9.446 4.782 1.00 1.43 H new ATOM 840 N THR A 54 11.359 7.218 3.875 1.00 0.36 N ATOM 841 CA THR A 54 10.814 7.477 2.551 1.00 0.30 C ATOM 842 C THR A 54 9.575 6.646 2.185 1.00 0.31 C ATOM 843 O THR A 54 9.292 6.486 1.001 1.00 0.38 O ATOM 844 CB THR A 54 11.900 7.242 1.504 1.00 0.40 C ATOM 845 OG1 THR A 54 12.562 6.004 1.791 1.00 1.13 O ATOM 846 CG2 THR A 54 12.907 8.384 1.504 1.00 0.93 C ATOM 0 H THR A 54 11.724 6.273 3.990 1.00 0.36 H new ATOM 0 HA THR A 54 10.482 8.515 2.568 1.00 0.30 H new ATOM 0 HB THR A 54 11.441 7.197 0.516 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.483 6.041 1.458 1.00 1.13 H new ATOM 0 HG21 THR A 54 13.671 8.195 0.750 1.00 0.93 H new ATOM 0 HG22 THR A 54 12.396 9.320 1.276 1.00 0.93 H new ATOM 0 HG23 THR A 54 13.375 8.456 2.486 1.00 0.93 H new ATOM 854 N GLY A 55 8.844 6.088 3.136 1.00 0.33 N ATOM 855 CA GLY A 55 8.025 4.949 2.753 1.00 0.40 C ATOM 856 C GLY A 55 6.610 5.252 2.317 1.00 0.46 C ATOM 857 O GLY A 55 6.051 4.449 1.575 1.00 0.56 O ATOM 0 H GLY A 55 8.798 6.378 4.113 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.528 4.425 1.940 1.00 0.40 H new ATOM 0 HA3 GLY A 55 7.982 4.261 3.597 1.00 0.40 H new ATOM 861 N GLN A 56 6.053 6.392 2.742 1.00 0.43 N ATOM 862 CA GLN A 56 4.833 6.978 2.137 1.00 0.54 C ATOM 863 C GLN A 56 4.062 7.840 3.126 1.00 0.56 C ATOM 864 O GLN A 56 3.776 7.425 4.248 1.00 0.63 O ATOM 865 CB GLN A 56 3.863 5.931 1.575 1.00 0.81 C ATOM 866 CG GLN A 56 3.597 6.108 0.088 1.00 0.91 C ATOM 867 CD GLN A 56 2.942 7.439 -0.217 1.00 1.20 C ATOM 868 OE1 GLN A 56 2.200 7.968 0.584 1.00 2.18 O ATOM 869 NE2 GLN A 56 3.216 8.010 -1.364 1.00 1.06 N ATOM 0 H GLN A 56 6.429 6.941 3.515 1.00 0.43 H new ATOM 0 HA GLN A 56 5.209 7.586 1.314 1.00 0.54 H new ATOM 0 HB2 GLN A 56 4.270 4.935 1.750 1.00 0.81 H new ATOM 0 HB3 GLN A 56 2.919 5.989 2.117 1.00 0.81 H new ATOM 0 HG2 GLN A 56 4.536 6.032 -0.460 1.00 0.91 H new ATOM 0 HG3 GLN A 56 2.956 5.300 -0.264 1.00 0.91 H new ATOM 0 HE21 GLN A 56 3.842 7.551 -2.026 1.00 1.06 H new ATOM 0 HE22 GLN A 56 2.803 8.914 -1.595 1.00 1.06 H new ATOM 878 N TYR A 57 3.647 9.004 2.676 1.00 0.57 N ATOM 879 CA TYR A 57 2.791 9.858 3.480 1.00 0.62 C ATOM 880 C TYR A 57 1.416 9.802 2.860 1.00 0.59 C ATOM 881 O TYR A 57 0.918 10.781 2.314 1.00 0.67 O ATOM 882 CB TYR A 57 3.303 11.297 3.517 1.00 0.76 C ATOM 883 CG TYR A 57 4.797 11.418 3.732 1.00 1.77 C ATOM 884 CD1 TYR A 57 5.698 11.164 2.701 1.00 2.59 C ATOM 885 CD2 TYR A 57 5.309 11.792 4.968 1.00 2.17 C ATOM 886 CE1 TYR A 57 7.060 11.279 2.896 1.00 3.64 C ATOM 887 CE2 TYR A 57 6.670 11.910 5.169 1.00 3.20 C ATOM 888 CZ TYR A 57 7.541 11.652 4.132 1.00 3.91 C ATOM 889 OH TYR A 57 8.898 11.770 4.333 1.00 4.98 O ATOM 0 H TYR A 57 3.886 9.383 1.760 1.00 0.57 H new ATOM 0 HA TYR A 57 2.776 9.510 4.513 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.041 11.788 2.580 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.788 11.834 4.313 1.00 0.76 H new ATOM 0 HD1 TYR A 57 5.324 10.872 1.731 1.00 2.59 H new ATOM 0 HD2 TYR A 57 4.632 11.994 5.785 1.00 2.17 H new ATOM 0 HE1 TYR A 57 7.744 11.078 2.085 1.00 3.64 H new ATOM 0 HE2 TYR A 57 7.051 12.204 6.136 1.00 3.20 H new ATOM 0 HH TYR A 57 9.291 10.879 4.443 1.00 4.98 H new ATOM 899 N LEU A 58 0.832 8.625 2.917 1.00 0.55 N ATOM 900 CA LEU A 58 -0.312 8.309 2.086 1.00 0.58 C ATOM 901 C LEU A 58 -1.628 8.852 2.597 1.00 0.56 C ATOM 902 O LEU A 58 -1.931 8.850 3.791 1.00 0.72 O ATOM 903 CB LEU A 58 -0.419 6.808 1.877 1.00 0.70 C ATOM 904 CG LEU A 58 -0.272 6.383 0.421 1.00 1.32 C ATOM 905 CD1 LEU A 58 -0.018 4.889 0.317 1.00 1.59 C ATOM 906 CD2 LEU A 58 -1.508 6.763 -0.372 1.00 1.85 C ATOM 0 H LEU A 58 1.131 7.868 3.532 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.127 8.813 1.137 1.00 0.58 H new ATOM 0 HB2 LEU A 58 0.348 6.311 2.471 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.384 6.465 2.251 1.00 0.70 H new ATOM 0 HG LEU A 58 0.586 6.907 0.001 1.00 1.32 H new ATOM 0 HD11 LEU A 58 0.083 4.609 -0.732 1.00 1.59 H new ATOM 0 HD12 LEU A 58 0.899 4.638 0.850 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -0.854 4.346 0.758 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -1.385 6.452 -1.409 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -2.380 6.268 0.054 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -1.648 7.843 -0.332 1.00 1.85 H new ATOM 918 N ALA A 59 -2.392 9.312 1.629 1.00 0.47 N ATOM 919 CA ALA A 59 -3.713 9.852 1.828 1.00 0.46 C ATOM 920 C ALA A 59 -4.606 9.392 0.679 1.00 0.46 C ATOM 921 O ALA A 59 -4.373 9.755 -0.480 1.00 0.51 O ATOM 922 CB ALA A 59 -3.658 11.373 1.898 1.00 0.54 C ATOM 0 H ALA A 59 -2.098 9.319 0.652 1.00 0.47 H new ATOM 0 HA ALA A 59 -4.124 9.492 2.771 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.663 11.767 2.049 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -3.021 11.676 2.729 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -3.250 11.766 0.966 1.00 0.54 H new ATOM 928 N MET A 60 -5.597 8.572 0.969 1.00 0.48 N ATOM 929 CA MET A 60 -6.514 8.144 -0.072 1.00 0.52 C ATOM 930 C MET A 60 -7.638 9.153 -0.215 1.00 0.55 C ATOM 931 O MET A 60 -8.368 9.409 0.745 1.00 0.74 O ATOM 932 CB MET A 60 -7.077 6.765 0.265 1.00 0.66 C ATOM 933 CG MET A 60 -6.362 5.621 -0.437 1.00 1.76 C ATOM 934 SD MET A 60 -4.567 5.702 -0.287 1.00 2.80 S ATOM 935 CE MET A 60 -4.353 5.586 1.482 1.00 3.74 C ATOM 0 H MET A 60 -5.787 8.194 1.897 1.00 0.48 H new ATOM 0 HA MET A 60 -5.978 8.080 -1.019 1.00 0.52 H new ATOM 0 HB2 MET A 60 -7.017 6.612 1.343 1.00 0.66 H new ATOM 0 HB3 MET A 60 -8.133 6.739 -0.002 1.00 0.66 H new ATOM 0 HG2 MET A 60 -6.712 4.675 -0.024 1.00 1.76 H new ATOM 0 HG3 MET A 60 -6.632 5.627 -1.493 1.00 1.76 H new ATOM 0 HE1 MET A 60 -3.830 6.471 1.844 1.00 3.74 H new ATOM 0 HE2 MET A 60 -5.329 5.519 1.963 1.00 3.74 H new ATOM 0 HE3 MET A 60 -3.770 4.697 1.720 1.00 3.74 H new ATOM 945 N ASP A 61 -7.786 9.736 -1.404 1.00 0.51 N ATOM 946 CA ASP A 61 -8.863 10.691 -1.607 1.00 0.56 C ATOM 947 C ASP A 61 -10.011 10.016 -2.270 1.00 0.56 C ATOM 948 O ASP A 61 -9.917 9.550 -3.407 1.00 0.64 O ATOM 949 CB ASP A 61 -8.451 11.920 -2.386 1.00 0.71 C ATOM 950 CG ASP A 61 -9.639 12.799 -2.732 1.00 1.02 C ATOM 951 OD1 ASP A 61 -10.177 13.457 -1.813 1.00 1.58 O ATOM 952 OD2 ASP A 61 -10.050 12.833 -3.913 1.00 1.34 O ATOM 0 H ASP A 61 -7.192 9.568 -2.216 1.00 0.51 H new ATOM 0 HA ASP A 61 -9.154 11.049 -0.619 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -7.732 12.495 -1.802 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -7.946 11.616 -3.303 1.00 0.71 H new ATOM 957 N THR A 62 -11.076 9.966 -1.506 1.00 0.65 N ATOM 958 CA THR A 62 -12.232 9.111 -1.728 1.00 0.83 C ATOM 959 C THR A 62 -11.849 7.621 -1.821 1.00 0.87 C ATOM 960 O THR A 62 -12.691 6.756 -1.606 1.00 1.31 O ATOM 961 CB THR A 62 -13.049 9.544 -2.957 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.420 9.142 -4.180 1.00 1.47 O ATOM 963 CG2 THR A 62 -13.259 11.049 -2.966 1.00 1.55 C ATOM 0 H THR A 62 -11.171 10.545 -0.672 1.00 0.65 H new ATOM 0 HA THR A 62 -12.867 9.232 -0.851 1.00 0.83 H new ATOM 0 HB THR A 62 -14.016 9.046 -2.887 1.00 0.97 H new ATOM 0 HG1 THR A 62 -11.488 9.445 -4.184 1.00 1.47 H new ATOM 0 HG21 THR A 62 -13.839 11.330 -3.845 1.00 1.55 H new ATOM 0 HG22 THR A 62 -13.797 11.347 -2.066 1.00 1.55 H new ATOM 0 HG23 THR A 62 -12.292 11.551 -2.994 1.00 1.55 H new ATOM 971 N ASP A 63 -10.566 7.379 -2.104 1.00 0.78 N ATOM 972 CA ASP A 63 -9.945 6.066 -2.267 1.00 0.88 C ATOM 973 C ASP A 63 -9.997 5.677 -3.727 1.00 0.87 C ATOM 974 O ASP A 63 -9.847 4.520 -4.096 1.00 0.96 O ATOM 975 CB ASP A 63 -10.546 4.981 -1.379 1.00 1.05 C ATOM 976 CG ASP A 63 -9.468 4.091 -0.797 1.00 1.19 C ATOM 977 OD1 ASP A 63 -8.976 3.209 -1.536 1.00 1.42 O ATOM 978 OD2 ASP A 63 -9.112 4.262 0.380 1.00 1.54 O ATOM 0 H ASP A 63 -9.897 8.138 -2.232 1.00 0.78 H new ATOM 0 HA ASP A 63 -8.910 6.151 -1.937 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -11.116 5.442 -0.572 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -11.245 4.378 -1.959 1.00 1.05 H new ATOM 983 N GLY A 64 -10.194 6.687 -4.563 1.00 0.82 N ATOM 984 CA GLY A 64 -10.250 6.465 -5.983 1.00 0.89 C ATOM 985 C GLY A 64 -8.887 6.621 -6.594 1.00 0.90 C ATOM 986 O GLY A 64 -8.517 5.905 -7.527 1.00 1.17 O ATOM 0 H GLY A 64 -10.316 7.658 -4.276 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -10.634 5.465 -6.186 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -10.943 7.171 -6.440 1.00 0.89 H new ATOM 990 N LEU A 65 -8.131 7.554 -6.051 1.00 0.72 N ATOM 991 CA LEU A 65 -6.745 7.736 -6.426 1.00 0.71 C ATOM 992 C LEU A 65 -5.914 7.941 -5.160 1.00 0.67 C ATOM 993 O LEU A 65 -6.216 8.807 -4.323 1.00 0.79 O ATOM 994 CB LEU A 65 -6.575 8.917 -7.383 1.00 0.74 C ATOM 995 CG LEU A 65 -7.656 9.054 -8.458 1.00 1.41 C ATOM 996 CD1 LEU A 65 -7.543 10.400 -9.158 1.00 2.03 C ATOM 997 CD2 LEU A 65 -7.577 7.925 -9.481 1.00 2.04 C ATOM 0 H LEU A 65 -8.460 8.206 -5.339 1.00 0.72 H new ATOM 0 HA LEU A 65 -6.400 6.846 -6.953 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -6.551 9.836 -6.798 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -5.607 8.827 -7.875 1.00 0.74 H new ATOM 0 HG LEU A 65 -8.623 8.990 -7.960 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -8.319 10.481 -9.919 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -7.665 11.201 -8.429 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -6.563 10.484 -9.628 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -8.360 8.056 -10.228 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -6.603 7.944 -9.969 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -7.712 6.968 -8.978 1.00 2.04 H new ATOM 1009 N LEU A 66 -4.922 7.086 -5.001 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.063 7.072 -3.820 1.00 0.68 C ATOM 1011 C LEU A 66 -2.825 7.960 -4.028 1.00 0.63 C ATOM 1012 O LEU A 66 -1.994 7.658 -4.886 1.00 0.73 O ATOM 1013 CB LEU A 66 -3.586 5.628 -3.580 1.00 0.90 C ATOM 1014 CG LEU A 66 -4.655 4.532 -3.337 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -5.775 4.527 -4.367 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -3.990 3.170 -3.340 1.00 1.56 C ATOM 0 H LEU A 66 -4.683 6.373 -5.691 1.00 0.65 H new ATOM 0 HA LEU A 66 -4.631 7.450 -2.970 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -2.991 5.327 -4.442 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -2.918 5.637 -2.719 1.00 0.90 H new ATOM 0 HG LEU A 66 -5.108 4.757 -2.372 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -6.483 3.733 -4.130 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -6.288 5.488 -4.351 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -5.356 4.356 -5.359 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -4.741 2.398 -3.169 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -3.509 3.002 -4.304 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -3.241 3.129 -2.549 1.00 1.56 H new ATOM 1028 N TYR A 67 -2.684 9.052 -3.271 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.488 9.873 -3.393 1.00 0.63 C ATOM 1030 C TYR A 67 -0.953 10.179 -2.011 1.00 0.70 C ATOM 1031 O TYR A 67 -1.730 10.337 -1.092 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.789 11.166 -4.168 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.730 12.124 -3.464 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -4.112 11.952 -3.518 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -2.233 13.211 -2.758 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.963 12.839 -2.886 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -3.079 14.097 -2.121 1.00 1.16 C ATOM 1038 CZ TYR A 67 -4.443 13.907 -2.189 1.00 1.21 C ATOM 1039 OH TYR A 67 -5.288 14.795 -1.562 1.00 1.64 O ATOM 0 H TYR A 67 -3.366 9.378 -2.586 1.00 0.62 H new ATOM 0 HA TYR A 67 -0.731 9.326 -3.955 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.849 11.682 -4.366 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.218 10.902 -5.135 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.524 11.114 -4.061 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -1.166 13.366 -2.706 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -6.032 12.695 -2.939 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -2.674 14.935 -1.572 1.00 1.16 H new ATOM 0 HH TYR A 67 -4.760 15.489 -1.115 1.00 1.64 H new ATOM 1049 N GLY A 68 0.345 10.355 -1.867 1.00 0.66 N ATOM 1050 CA GLY A 68 0.871 10.698 -0.564 1.00 0.80 C ATOM 1051 C GLY A 68 2.248 11.296 -0.642 1.00 0.81 C ATOM 1052 O GLY A 68 3.142 10.710 -1.248 1.00 0.85 O ATOM 0 H GLY A 68 1.036 10.269 -2.612 1.00 0.66 H new ATOM 0 HA2 GLY A 68 0.198 11.404 -0.078 1.00 0.80 H new ATOM 0 HA3 GLY A 68 0.900 9.805 0.060 1.00 0.80 H new ATOM 1056 N SER A 69 2.426 12.469 -0.064 1.00 0.91 N ATOM 1057 CA SER A 69 3.763 13.060 -0.002 1.00 1.08 C ATOM 1058 C SER A 69 3.985 14.005 1.175 1.00 1.38 C ATOM 1059 O SER A 69 4.994 13.919 1.868 1.00 1.62 O ATOM 1060 CB SER A 69 4.079 13.787 -1.301 1.00 1.08 C ATOM 1061 OG SER A 69 4.232 12.863 -2.361 1.00 1.39 O ATOM 0 H SER A 69 1.685 13.026 0.362 1.00 0.91 H new ATOM 0 HA SER A 69 4.442 12.221 0.149 1.00 1.08 H new ATOM 0 HB2 SER A 69 3.279 14.489 -1.535 1.00 1.08 H new ATOM 0 HB3 SER A 69 4.992 14.371 -1.185 1.00 1.08 H new ATOM 0 HG SER A 69 4.190 11.950 -2.008 1.00 1.39 H new ATOM 1067 N GLN A 70 3.063 14.926 1.376 1.00 1.49 N ATOM 1068 CA GLN A 70 3.285 15.988 2.360 1.00 1.85 C ATOM 1069 C GLN A 70 2.972 15.540 3.780 1.00 1.93 C ATOM 1070 O GLN A 70 3.738 15.786 4.711 1.00 2.19 O ATOM 1071 CB GLN A 70 2.413 17.198 2.018 1.00 2.07 C ATOM 1072 CG GLN A 70 2.526 18.336 3.022 1.00 2.63 C ATOM 1073 CD GLN A 70 1.396 19.343 2.908 1.00 3.22 C ATOM 1074 OE1 GLN A 70 0.992 19.946 3.898 1.00 3.66 O ATOM 1075 NE2 GLN A 70 0.882 19.540 1.705 1.00 3.79 N ATOM 0 H GLN A 70 2.169 14.969 0.887 1.00 1.49 H new ATOM 0 HA GLN A 70 4.342 16.249 2.317 1.00 1.85 H new ATOM 0 HB2 GLN A 70 2.690 17.567 1.031 1.00 2.07 H new ATOM 0 HB3 GLN A 70 1.372 16.880 1.958 1.00 2.07 H new ATOM 0 HG2 GLN A 70 2.537 17.923 4.031 1.00 2.63 H new ATOM 0 HG3 GLN A 70 3.477 18.848 2.877 1.00 2.63 H new ATOM 0 HE21 GLN A 70 1.243 19.021 0.905 1.00 3.79 H new ATOM 0 HE22 GLN A 70 0.125 20.211 1.578 1.00 3.79 H new ATOM 1084 N THR A 71 1.849 14.873 3.931 1.00 1.75 N ATOM 1085 CA THR A 71 1.374 14.457 5.228 1.00 1.78 C ATOM 1086 C THR A 71 0.995 12.992 5.216 1.00 1.56 C ATOM 1087 O THR A 71 0.457 12.515 4.224 1.00 1.63 O ATOM 1088 CB THR A 71 0.140 15.285 5.620 1.00 1.94 C ATOM 1089 OG1 THR A 71 -0.762 15.362 4.507 1.00 2.26 O ATOM 1090 CG2 THR A 71 0.524 16.689 6.066 1.00 2.31 C ATOM 0 H THR A 71 1.241 14.605 3.157 1.00 1.75 H new ATOM 0 HA THR A 71 2.176 14.613 5.950 1.00 1.78 H new ATOM 0 HB THR A 71 -0.345 14.788 6.460 1.00 1.94 H new ATOM 0 HG1 THR A 71 -1.549 15.889 4.759 1.00 2.26 H new ATOM 0 HG21 THR A 71 -0.375 17.244 6.335 1.00 2.31 H new ATOM 0 HG22 THR A 71 1.185 16.628 6.930 1.00 2.31 H new ATOM 0 HG23 THR A 71 1.037 17.202 5.252 1.00 2.31 H new ATOM 1098 N PRO A 72 1.208 12.262 6.312 1.00 1.41 N ATOM 1099 CA PRO A 72 0.619 10.963 6.474 1.00 1.20 C ATOM 1100 C PRO A 72 -0.430 11.015 7.565 1.00 1.04 C ATOM 1101 O PRO A 72 -0.138 11.026 8.763 1.00 1.06 O ATOM 1102 CB PRO A 72 1.805 10.143 6.954 1.00 1.31 C ATOM 1103 CG PRO A 72 2.692 11.131 7.683 1.00 1.49 C ATOM 1104 CD PRO A 72 2.153 12.524 7.391 1.00 1.53 C ATOM 0 HA PRO A 72 0.135 10.575 5.577 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.486 9.336 7.614 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.331 9.682 6.118 1.00 1.31 H new ATOM 0 HG2 PRO A 72 2.687 10.934 8.755 1.00 1.49 H new ATOM 0 HG3 PRO A 72 3.725 11.040 7.347 1.00 1.49 H new ATOM 0 HD2 PRO A 72 1.667 12.964 8.262 1.00 1.53 H new ATOM 0 HD3 PRO A 72 2.942 13.211 7.085 1.00 1.53 H new ATOM 1112 N ASN A 73 -1.660 11.063 7.120 1.00 0.94 N ATOM 1113 CA ASN A 73 -2.791 11.234 8.010 1.00 0.86 C ATOM 1114 C ASN A 73 -3.241 9.861 8.350 1.00 0.68 C ATOM 1115 O ASN A 73 -2.654 8.901 7.843 1.00 0.71 O ATOM 1116 CB ASN A 73 -3.911 12.018 7.317 1.00 0.98 C ATOM 1117 CG ASN A 73 -3.467 13.394 6.855 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -2.596 14.019 7.464 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -4.054 13.872 5.768 1.00 2.17 N ATOM 0 H ASN A 73 -1.910 10.985 6.134 1.00 0.94 H new ATOM 0 HA ASN A 73 -2.521 11.800 8.902 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -4.269 11.449 6.459 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -4.752 12.124 8.002 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -3.789 14.788 5.407 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -4.771 13.324 5.292 1.00 2.17 H new ATOM 1126 N GLU A 74 -4.297 9.678 9.100 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.852 8.414 8.875 1.00 0.47 C ATOM 1128 C GLU A 74 -6.023 8.670 7.987 1.00 0.52 C ATOM 1129 O GLU A 74 -7.144 8.979 8.384 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.283 7.749 10.185 1.00 0.49 C ATOM 1131 CG GLU A 74 -4.136 7.346 11.106 1.00 1.15 C ATOM 1132 CD GLU A 74 -3.395 8.529 11.694 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -3.978 9.252 12.523 1.00 1.84 O ATOM 1134 OE2 GLU A 74 -2.216 8.733 11.339 1.00 2.11 O ATOM 0 H GLU A 74 -4.729 10.305 9.779 1.00 0.59 H new ATOM 0 HA GLU A 74 -4.135 7.728 8.424 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -5.940 8.432 10.724 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -5.870 6.861 9.949 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -4.529 6.733 11.917 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -3.433 6.726 10.549 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.670 8.438 6.756 1.00 0.49 N ATOM 1142 CA GLU A 75 -6.514 8.187 5.630 1.00 0.52 C ATOM 1143 C GLU A 75 -5.901 7.011 4.910 1.00 0.40 C ATOM 1144 O GLU A 75 -6.479 6.443 3.988 1.00 0.47 O ATOM 1145 CB GLU A 75 -6.520 9.396 4.717 1.00 0.69 C ATOM 1146 CG GLU A 75 -7.037 10.659 5.387 1.00 0.89 C ATOM 1147 CD GLU A 75 -7.099 11.838 4.444 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -8.115 11.987 3.734 1.00 1.69 O ATOM 1149 OE2 GLU A 75 -6.121 12.616 4.400 1.00 2.16 O ATOM 0 H GLU A 75 -4.685 8.419 6.493 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.542 7.986 5.932 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -5.507 9.574 4.356 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -7.136 9.179 3.844 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -8.032 10.470 5.791 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -6.393 10.907 6.230 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.628 6.773 5.262 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.874 5.663 4.721 1.00 0.47 C ATOM 1158 C CYS A 76 -4.223 4.326 5.385 1.00 0.40 C ATOM 1159 O CYS A 76 -3.771 3.282 4.924 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.380 5.937 4.884 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.842 6.079 6.604 1.00 1.40 S ATOM 0 H CYS A 76 -4.108 7.347 5.925 1.00 0.37 H new ATOM 0 HA CYS A 76 -4.138 5.577 3.667 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.819 5.135 4.404 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -2.131 6.859 4.359 1.00 0.68 H new ATOM 0 HG CYS A 76 -0.661 5.551 6.734 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.028 4.340 6.452 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.259 3.118 7.213 1.00 0.46 C ATOM 1169 C LEU A 77 -6.398 2.316 6.613 1.00 0.39 C ATOM 1170 O LEU A 77 -7.391 2.868 6.113 1.00 0.40 O ATOM 1171 CB LEU A 77 -5.480 3.381 8.721 1.00 0.66 C ATOM 1172 CG LEU A 77 -6.648 4.296 9.135 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -7.998 3.631 8.928 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -6.499 4.684 10.594 1.00 1.59 C ATOM 0 H LEU A 77 -5.518 5.165 6.799 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.348 2.524 7.142 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -5.622 2.417 9.210 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -4.562 3.810 9.123 1.00 0.66 H new ATOM 0 HG LEU A 77 -6.611 5.181 8.500 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -8.791 4.314 9.234 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -8.122 3.379 7.875 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -8.051 2.722 9.527 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -7.326 5.331 10.885 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -6.506 3.786 11.212 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -5.557 5.214 10.735 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.226 1.012 6.630 1.00 0.39 N ATOM 1187 CA PHE A 78 -7.168 0.116 6.039 1.00 0.39 C ATOM 1188 C PHE A 78 -7.427 -1.075 6.954 1.00 0.36 C ATOM 1189 O PHE A 78 -6.646 -1.352 7.865 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.625 -0.353 4.700 1.00 0.53 C ATOM 1191 CG PHE A 78 -6.439 0.771 3.726 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -7.520 1.536 3.328 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -5.185 1.080 3.237 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -7.356 2.588 2.455 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -5.013 2.135 2.366 1.00 0.78 C ATOM 1196 CZ PHE A 78 -6.101 2.889 1.974 1.00 0.84 C ATOM 0 H PHE A 78 -5.423 0.552 7.058 1.00 0.39 H new ATOM 0 HA PHE A 78 -8.116 0.634 5.890 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -5.670 -0.855 4.855 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -7.307 -1.089 4.274 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -8.505 1.305 3.707 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -4.332 0.490 3.539 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -8.209 3.175 2.148 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -4.028 2.371 1.991 1.00 0.78 H new ATOM 0 HZ PHE A 78 -5.968 3.715 1.290 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.524 -1.768 6.708 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.853 -2.977 7.444 1.00 0.37 C ATOM 1208 C LEU A 79 -8.270 -4.171 6.698 1.00 0.35 C ATOM 1209 O LEU A 79 -8.388 -4.254 5.474 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.370 -3.117 7.592 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.851 -4.219 8.540 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -10.602 -3.830 9.991 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -12.326 -4.511 8.311 1.00 1.09 C ATOM 0 H LEU A 79 -9.209 -1.511 5.997 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.427 -2.929 8.446 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.771 -2.165 7.940 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.796 -3.301 6.606 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.282 -5.124 8.328 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -10.952 -4.628 10.647 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -9.535 -3.673 10.148 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -11.141 -2.911 10.219 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -12.652 -5.297 8.993 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -12.908 -3.608 8.493 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -12.477 -4.838 7.282 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.654 -5.087 7.422 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.880 -6.153 6.797 1.00 0.42 C ATOM 1227 C GLU A 80 -7.724 -7.408 6.642 1.00 0.40 C ATOM 1228 O GLU A 80 -8.372 -7.870 7.586 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.641 -6.457 7.648 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.464 -7.074 6.889 1.00 0.97 C ATOM 1231 CD GLU A 80 -4.681 -8.514 6.473 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -5.074 -9.329 7.336 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -4.428 -8.839 5.295 1.00 2.07 O ATOM 0 H GLU A 80 -7.672 -5.118 8.441 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.567 -5.824 5.806 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -5.306 -5.532 8.116 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -5.929 -7.134 8.452 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -4.266 -6.476 5.999 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -3.573 -7.018 7.515 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.727 -7.934 5.432 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.446 -9.143 5.113 1.00 0.39 C ATOM 1242 C ARG A 81 -7.504 -10.111 4.419 1.00 0.48 C ATOM 1243 O ARG A 81 -7.114 -9.902 3.278 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.660 -8.840 4.232 1.00 0.56 C ATOM 1245 CG ARG A 81 -10.399 -10.089 3.786 1.00 0.76 C ATOM 1246 CD ARG A 81 -11.637 -9.757 2.970 1.00 1.34 C ATOM 1247 NE ARG A 81 -12.209 -10.950 2.348 1.00 2.05 N ATOM 1248 CZ ARG A 81 -13.491 -11.077 2.011 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -14.369 -10.137 2.347 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -13.900 -12.164 1.370 1.00 3.75 N ATOM 0 H ARG A 81 -7.226 -7.529 4.641 1.00 0.38 H new ATOM 0 HA ARG A 81 -8.815 -9.595 6.033 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.347 -8.195 4.780 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -9.334 -8.285 3.353 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -9.731 -10.713 3.193 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -10.687 -10.672 4.661 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -12.382 -9.289 3.613 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -11.381 -9.031 2.198 1.00 1.34 H new ATOM 0 HE ARG A 81 -11.586 -11.736 2.160 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -14.062 -9.314 2.865 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -15.350 -10.239 2.087 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -13.233 -12.900 1.137 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -14.881 -12.264 1.111 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.138 -11.160 5.110 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.212 -12.131 4.568 1.00 0.82 C ATOM 1266 C LEU A 82 -6.955 -13.230 3.841 1.00 0.66 C ATOM 1267 O LEU A 82 -7.670 -14.022 4.457 1.00 0.84 O ATOM 1268 CB LEU A 82 -5.363 -12.737 5.684 1.00 1.25 C ATOM 1269 CG LEU A 82 -3.920 -12.251 5.724 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -3.216 -12.769 6.966 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -3.183 -12.699 4.470 1.00 1.65 C ATOM 0 H LEU A 82 -7.467 -11.367 6.053 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.560 -11.619 3.860 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -5.834 -12.514 6.641 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -5.364 -13.821 5.574 1.00 1.25 H new ATOM 0 HG LEU A 82 -3.920 -11.162 5.761 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -2.186 -12.411 6.977 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -3.734 -12.409 7.855 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -3.221 -13.859 6.959 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -2.152 -12.347 4.508 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -3.192 -13.787 4.412 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -3.676 -12.284 3.591 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.791 -13.274 2.532 1.00 0.76 N ATOM 1284 CA GLU A 83 -7.372 -14.336 1.742 1.00 0.82 C ATOM 1285 C GLU A 83 -6.336 -15.428 1.587 1.00 1.29 C ATOM 1286 O GLU A 83 -5.156 -15.142 1.370 1.00 2.03 O ATOM 1287 CB GLU A 83 -7.824 -13.818 0.375 1.00 1.39 C ATOM 1288 CG GLU A 83 -8.882 -12.726 0.447 1.00 1.89 C ATOM 1289 CD GLU A 83 -10.172 -13.190 1.092 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -11.043 -13.733 0.380 1.00 2.48 O ATOM 1291 OE2 GLU A 83 -10.327 -13.018 2.318 1.00 2.36 O ATOM 0 H GLU A 83 -6.261 -12.587 1.997 1.00 0.76 H new ATOM 0 HA GLU A 83 -8.256 -14.729 2.244 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -6.956 -13.435 -0.162 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -8.216 -14.652 -0.207 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -8.485 -11.881 1.009 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -9.095 -12.368 -0.560 1.00 1.89 H new ATOM 1298 N GLU A 84 -6.756 -16.676 1.664 1.00 1.26 N ATOM 1299 CA GLU A 84 -5.799 -17.767 1.701 1.00 1.78 C ATOM 1300 C GLU A 84 -5.515 -18.279 0.302 1.00 1.46 C ATOM 1301 O GLU A 84 -5.055 -19.402 0.107 1.00 1.49 O ATOM 1302 CB GLU A 84 -6.277 -18.888 2.622 1.00 2.65 C ATOM 1303 CG GLU A 84 -7.725 -19.296 2.423 1.00 3.44 C ATOM 1304 CD GLU A 84 -8.171 -20.289 3.470 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -8.363 -19.885 4.636 1.00 3.98 O ATOM 1306 OE2 GLU A 84 -8.362 -21.478 3.124 1.00 4.35 O ATOM 0 H GLU A 84 -7.736 -16.958 1.702 1.00 1.26 H new ATOM 0 HA GLU A 84 -4.864 -17.386 2.112 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -5.643 -19.761 2.469 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -6.141 -18.573 3.657 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -8.362 -18.412 2.464 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -7.848 -19.732 1.431 1.00 3.44 H new ATOM 1313 N ASN A 85 -5.761 -17.418 -0.672 1.00 1.98 N ATOM 1314 CA ASN A 85 -5.320 -17.660 -2.032 1.00 2.36 C ATOM 1315 C ASN A 85 -3.958 -17.009 -2.220 1.00 1.83 C ATOM 1316 O ASN A 85 -3.606 -16.531 -3.298 1.00 2.36 O ATOM 1317 CB ASN A 85 -6.333 -17.122 -3.047 1.00 3.24 C ATOM 1318 CG ASN A 85 -7.692 -17.795 -2.944 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -7.706 -19.066 -2.567 1.00 4.69 O flip ATOM 1320 ND2 ASN A 85 -8.721 -17.178 -3.216 1.00 4.33 N flip ATOM 0 H ASN A 85 -6.266 -16.542 -0.543 1.00 1.98 H new ATOM 0 HA ASN A 85 -5.240 -18.733 -2.204 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -6.453 -16.049 -2.898 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -5.940 -17.262 -4.054 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -8.669 -16.200 -3.502 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -9.626 -17.644 -3.155 1.00 4.33 H new ATOM 1327 N HIS A 86 -3.213 -17.010 -1.123 1.00 1.13 N ATOM 1328 CA HIS A 86 -1.843 -16.502 -1.063 1.00 1.29 C ATOM 1329 C HIS A 86 -1.736 -15.006 -1.364 1.00 1.07 C ATOM 1330 O HIS A 86 -0.916 -14.596 -2.186 1.00 1.43 O ATOM 1331 CB HIS A 86 -0.933 -17.292 -2.010 1.00 2.00 C ATOM 1332 CG HIS A 86 -0.827 -18.743 -1.659 1.00 2.54 C ATOM 1333 ND1 HIS A 86 0.230 -19.270 -0.958 1.00 3.33 N ATOM 1334 CD2 HIS A 86 -1.664 -19.775 -1.904 1.00 3.02 C ATOM 1335 CE1 HIS A 86 0.039 -20.563 -0.784 1.00 3.99 C ATOM 1336 NE2 HIS A 86 -1.109 -20.900 -1.348 1.00 3.81 N ATOM 0 H HIS A 86 -3.548 -17.371 -0.230 1.00 1.13 H new ATOM 0 HA HIS A 86 -1.514 -16.641 -0.033 1.00 1.29 H new ATOM 0 HB2 HIS A 86 -1.312 -17.199 -3.028 1.00 2.00 H new ATOM 0 HB3 HIS A 86 0.063 -16.849 -1.999 1.00 2.00 H new ATOM 0 HD2 HIS A 86 -2.600 -19.724 -2.440 1.00 3.02 H new ATOM 0 HE1 HIS A 86 0.708 -21.235 -0.267 1.00 3.99 H new ATOM 0 HE2 HIS A 86 -1.513 -21.836 -1.366 1.00 3.81 H new ATOM 1345 N TYR A 87 -2.553 -14.186 -0.703 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.390 -12.735 -0.798 1.00 0.49 C ATOM 1347 C TYR A 87 -3.105 -11.999 0.332 1.00 0.46 C ATOM 1348 O TYR A 87 -4.051 -12.512 0.940 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.849 -12.194 -2.164 1.00 0.61 C ATOM 1350 CG TYR A 87 -4.277 -12.519 -2.552 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -5.341 -11.830 -1.982 1.00 1.38 C ATOM 1352 CD2 TYR A 87 -4.566 -13.527 -3.462 1.00 1.67 C ATOM 1353 CE1 TYR A 87 -6.647 -12.131 -2.313 1.00 2.16 C ATOM 1354 CE2 TYR A 87 -5.870 -13.835 -3.797 1.00 2.52 C ATOM 1355 CZ TYR A 87 -6.890 -13.096 -3.308 1.00 2.70 C ATOM 1356 OH TYR A 87 -8.209 -13.438 -3.546 1.00 3.60 O ATOM 0 H TYR A 87 -3.321 -14.494 -0.106 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.322 -12.543 -0.698 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -2.729 -11.111 -2.164 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -2.184 -12.588 -2.933 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -5.143 -11.045 -1.267 1.00 1.38 H new ATOM 0 HD2 TYR A 87 -3.757 -14.080 -3.916 1.00 1.67 H new ATOM 0 HE1 TYR A 87 -7.468 -11.635 -1.817 1.00 2.16 H new ATOM 0 HE2 TYR A 87 -6.075 -14.669 -4.452 1.00 2.52 H new ATOM 0 HH TYR A 87 -8.736 -12.625 -3.695 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.636 -10.789 0.596 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.242 -9.909 1.576 1.00 0.38 C ATOM 1368 C ASN A 88 -4.212 -8.995 0.874 1.00 0.34 C ATOM 1369 O ASN A 88 -3.962 -8.550 -0.246 1.00 0.36 O ATOM 1370 CB ASN A 88 -2.180 -9.056 2.274 1.00 0.43 C ATOM 1371 CG ASN A 88 -1.336 -9.824 3.268 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -0.311 -10.408 2.911 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -1.756 -9.823 4.525 1.00 1.60 N ATOM 0 H ASN A 88 -1.820 -10.390 0.132 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.752 -10.516 2.324 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.527 -8.617 1.520 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.671 -8.231 2.790 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -1.225 -10.319 5.241 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -2.611 -9.326 4.777 1.00 1.60 H new ATOM 1380 N THR A 89 -5.320 -8.733 1.517 1.00 0.36 N ATOM 1381 CA THR A 89 -6.306 -7.840 0.975 1.00 0.37 C ATOM 1382 C THR A 89 -6.556 -6.741 1.986 1.00 0.37 C ATOM 1383 O THR A 89 -6.268 -6.914 3.161 1.00 0.40 O ATOM 1384 CB THR A 89 -7.609 -8.598 0.674 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.292 -9.846 0.048 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.505 -7.790 -0.251 1.00 0.49 C ATOM 0 H THR A 89 -5.562 -9.130 2.425 1.00 0.36 H new ATOM 0 HA THR A 89 -5.946 -7.412 0.039 1.00 0.37 H new ATOM 0 HB THR A 89 -8.138 -8.767 1.612 1.00 0.44 H new ATOM 0 HG1 THR A 89 -6.485 -9.742 -0.498 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.421 -8.347 -0.449 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.754 -6.840 0.222 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.984 -7.603 -1.190 1.00 0.49 H new ATOM 1394 N TYR A 90 -7.046 -5.608 1.544 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.334 -4.518 2.454 1.00 0.42 C ATOM 1396 C TYR A 90 -8.623 -3.842 2.042 1.00 0.38 C ATOM 1397 O TYR A 90 -8.908 -3.711 0.851 1.00 0.42 O ATOM 1398 CB TYR A 90 -6.187 -3.495 2.473 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.835 -4.082 2.817 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.561 -4.547 4.096 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.835 -4.176 1.862 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.330 -5.090 4.409 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.601 -4.717 2.168 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.354 -5.172 3.442 1.00 0.75 C ATOM 1405 OH TYR A 90 -1.128 -5.719 3.749 1.00 0.87 O ATOM 0 H TYR A 90 -7.254 -5.414 0.565 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.439 -4.926 3.459 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -6.125 -3.018 1.495 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.425 -2.713 3.194 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.323 -4.483 4.859 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -4.024 -3.820 0.860 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -3.134 -5.449 5.409 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.834 -4.782 1.410 1.00 0.85 H new ATOM 0 HH TYR A 90 -0.554 -5.703 2.955 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.408 -3.425 3.014 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.609 -2.695 2.712 1.00 0.35 C ATOM 1417 C ILE A 91 -10.319 -1.243 2.980 1.00 0.36 C ATOM 1418 O ILE A 91 -9.486 -0.920 3.828 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.831 -3.185 3.539 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -13.116 -3.070 2.716 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -11.982 -2.407 4.838 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -13.142 -3.975 1.503 1.00 1.55 C ATOM 0 H ILE A 91 -9.234 -3.580 4.007 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.883 -2.856 1.669 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.654 -4.231 3.790 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -13.968 -3.306 3.353 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -13.238 -2.037 2.391 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -12.847 -2.779 5.387 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -11.085 -2.534 5.445 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.122 -1.349 4.615 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -14.082 -3.840 0.968 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -12.311 -3.724 0.844 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -13.052 -5.013 1.822 1.00 1.55 H new ATOM 1434 N SER A 92 -10.994 -0.371 2.287 1.00 0.36 N ATOM 1435 CA SER A 92 -10.718 1.030 2.424 1.00 0.40 C ATOM 1436 C SER A 92 -11.533 1.548 3.563 1.00 0.43 C ATOM 1437 O SER A 92 -12.729 1.728 3.424 1.00 0.53 O ATOM 1438 CB SER A 92 -11.087 1.785 1.149 1.00 0.47 C ATOM 1439 OG SER A 92 -11.177 3.177 1.399 1.00 1.33 O ATOM 0 H SER A 92 -11.735 -0.603 1.625 1.00 0.36 H new ATOM 0 HA SER A 92 -9.653 1.177 2.606 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.339 1.596 0.379 1.00 0.47 H new ATOM 0 HB3 SER A 92 -12.039 1.417 0.765 1.00 0.47 H new ATOM 0 HG SER A 92 -10.280 3.571 1.382 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.902 1.744 4.710 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.635 2.236 5.852 1.00 0.54 C ATOM 1447 C LYS A 93 -11.964 3.711 5.672 1.00 0.57 C ATOM 1448 O LYS A 93 -12.771 4.276 6.406 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.834 2.002 7.123 1.00 0.65 C ATOM 1450 CG LYS A 93 -11.389 0.879 7.967 1.00 0.84 C ATOM 1451 CD LYS A 93 -10.984 1.033 9.421 1.00 1.27 C ATOM 1452 CE LYS A 93 -11.543 -0.085 10.284 1.00 1.20 C ATOM 1453 NZ LYS A 93 -11.279 0.157 11.724 1.00 1.58 N ATOM 0 H LYS A 93 -9.909 1.573 4.868 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.575 1.691 5.936 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.801 1.776 6.859 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -10.819 2.919 7.712 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -12.476 0.865 7.889 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -11.030 -0.077 7.586 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -9.897 1.041 9.496 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -11.337 1.993 9.797 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -12.617 -0.171 10.119 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -11.098 -1.034 9.986 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -11.255 -0.751 12.230 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -10.364 0.639 11.833 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -12.033 0.753 12.120 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.424 4.280 4.609 1.00 0.52 N ATOM 1468 CA LYS A 94 -11.784 5.618 4.183 1.00 0.67 C ATOM 1469 C LYS A 94 -13.247 5.599 3.772 1.00 0.79 C ATOM 1470 O LYS A 94 -14.109 6.156 4.454 1.00 0.97 O ATOM 1471 CB LYS A 94 -10.893 6.063 3.012 1.00 0.69 C ATOM 1472 CG LYS A 94 -11.215 7.443 2.453 1.00 1.21 C ATOM 1473 CD LYS A 94 -10.765 8.561 3.380 1.00 1.56 C ATOM 1474 CE LYS A 94 -11.071 9.923 2.775 1.00 2.00 C ATOM 1475 NZ LYS A 94 -10.608 11.045 3.633 1.00 2.32 N ATOM 0 H LYS A 94 -10.726 3.828 4.019 1.00 0.52 H new ATOM 0 HA LYS A 94 -11.636 6.329 4.996 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -9.854 6.053 3.340 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -10.981 5.331 2.209 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -10.732 7.562 1.483 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -12.289 7.523 2.286 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -11.267 8.465 4.343 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -9.695 8.474 3.568 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -10.595 9.998 1.797 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -12.145 10.012 2.614 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -11.027 11.935 3.296 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -10.902 10.874 4.616 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -9.571 11.111 3.588 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.523 4.968 2.643 1.00 0.76 N ATOM 1490 CA HIS A 95 -14.894 4.694 2.245 1.00 0.96 C ATOM 1491 C HIS A 95 -15.355 3.306 2.676 1.00 1.01 C ATOM 1492 O HIS A 95 -16.012 2.602 1.904 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.072 4.862 0.738 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.123 6.286 0.299 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -14.451 7.294 0.947 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -15.787 6.873 -0.721 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -14.700 8.436 0.351 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -15.510 8.213 -0.668 1.00 2.32 N ATOM 0 H HIS A 95 -12.817 4.636 1.986 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.519 5.424 2.759 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -14.251 4.361 0.225 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -15.991 4.363 0.431 1.00 1.06 H new ATOM 0 HD2 HIS A 95 -16.419 6.378 -1.444 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -14.308 9.398 0.645 1.00 2.27 H new ATOM 0 HE2 HIS A 95 -15.869 8.921 -1.309 1.00 2.32 H new ATOM 1507 N ALA A 96 -15.028 2.921 3.905 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.389 1.592 4.407 1.00 1.02 C ATOM 1509 C ALA A 96 -16.891 1.380 4.374 1.00 1.03 C ATOM 1510 O ALA A 96 -17.379 0.325 3.958 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.866 1.393 5.819 1.00 1.18 C ATOM 0 H ALA A 96 -14.518 3.502 4.570 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.926 0.855 3.751 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -15.144 0.401 6.174 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.780 1.488 5.822 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -15.298 2.148 6.477 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.617 2.409 4.771 1.00 1.07 N ATOM 1518 CA GLU A 97 -19.058 2.324 4.903 1.00 1.16 C ATOM 1519 C GLU A 97 -19.725 2.136 3.544 1.00 1.07 C ATOM 1520 O GLU A 97 -20.831 1.604 3.455 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.583 3.586 5.579 1.00 1.30 C ATOM 1522 CG GLU A 97 -18.857 3.928 6.870 1.00 2.04 C ATOM 1523 CD GLU A 97 -18.941 2.824 7.903 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -19.997 2.697 8.555 1.00 3.42 O ATOM 1525 OE2 GLU A 97 -17.952 2.082 8.072 1.00 3.22 O ATOM 0 H GLU A 97 -17.227 3.321 5.009 1.00 1.07 H new ATOM 0 HA GLU A 97 -19.300 1.456 5.516 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -19.493 4.424 4.888 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -20.645 3.461 5.791 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -17.810 4.133 6.649 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -19.279 4.842 7.287 1.00 2.04 H new ATOM 1532 N LYS A 98 -19.042 2.555 2.486 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.598 2.471 1.144 1.00 0.88 C ATOM 1534 C LYS A 98 -19.165 1.187 0.438 1.00 0.83 C ATOM 1535 O LYS A 98 -19.513 0.972 -0.725 1.00 0.83 O ATOM 1536 CB LYS A 98 -19.174 3.690 0.323 1.00 0.84 C ATOM 1537 CG LYS A 98 -19.613 5.011 0.930 1.00 1.41 C ATOM 1538 CD LYS A 98 -19.226 6.184 0.046 1.00 1.98 C ATOM 1539 CE LYS A 98 -19.634 7.513 0.663 1.00 2.14 C ATOM 1540 NZ LYS A 98 -21.107 7.625 0.834 1.00 2.65 N ATOM 0 H LYS A 98 -18.105 2.955 2.532 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.684 2.455 1.232 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -18.089 3.689 0.220 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -19.590 3.604 -0.681 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -20.693 5.005 1.076 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -19.159 5.130 1.914 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -18.149 6.175 -0.119 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -19.699 6.076 -0.930 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -19.148 7.626 1.632 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -19.280 8.328 0.032 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -21.353 8.601 1.096 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -21.580 7.377 -0.058 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -21.420 6.976 1.584 1.00 2.65 H new ATOM 1554 N ASN A 99 -18.360 0.369 1.129 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.982 -0.968 0.643 1.00 0.84 C ATOM 1556 C ASN A 99 -16.859 -0.863 -0.391 1.00 0.68 C ATOM 1557 O ASN A 99 -16.696 -1.729 -1.250 1.00 0.74 O ATOM 1558 CB ASN A 99 -19.195 -1.731 0.074 1.00 1.01 C ATOM 1559 CG ASN A 99 -18.925 -3.210 -0.163 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -18.124 -3.823 0.697 1.00 1.96 O flip ATOM 1561 ND2 ASN A 99 -19.460 -3.805 -1.100 1.00 2.00 N flip ATOM 0 H ASN A 99 -17.955 0.611 2.033 1.00 0.82 H new ATOM 0 HA ASN A 99 -17.614 -1.542 1.493 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -20.034 -1.629 0.762 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -19.496 -1.269 -0.866 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -20.071 -3.300 -1.742 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -19.292 -4.802 -1.233 1.00 2.00 H new ATOM 1568 N TRP A 100 -16.101 0.220 -0.320 1.00 0.54 N ATOM 1569 CA TRP A 100 -15.018 0.457 -1.238 1.00 0.44 C ATOM 1570 C TRP A 100 -13.805 -0.407 -0.922 1.00 0.41 C ATOM 1571 O TRP A 100 -13.703 -1.002 0.154 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.628 1.912 -1.153 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.374 2.812 -2.082 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.718 2.907 -2.295 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -14.768 3.775 -2.908 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -16.971 3.894 -3.229 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -15.772 4.444 -3.617 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -13.453 4.123 -3.095 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -15.477 5.465 -4.525 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -13.149 5.127 -3.989 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -14.153 5.794 -4.692 1.00 1.01 C ATOM 0 H TRP A 100 -16.226 0.954 0.378 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.355 0.199 -2.242 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.784 2.257 -0.131 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.562 2.001 -1.360 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -17.470 2.303 -1.808 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -17.892 4.168 -3.572 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -12.669 3.618 -2.550 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -16.257 5.974 -5.072 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -12.117 5.402 -4.148 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -13.885 6.583 -5.379 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.878 -0.444 -1.862 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.652 -1.209 -1.711 1.00 0.51 C ATOM 1594 C PHE A 101 -10.473 -0.271 -1.880 1.00 0.55 C ATOM 1595 O PHE A 101 -10.580 0.725 -2.585 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.558 -2.327 -2.756 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.595 -3.412 -2.644 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -13.897 -3.182 -3.055 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -12.277 -4.646 -2.097 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -14.865 -4.159 -2.921 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -13.236 -5.629 -1.968 1.00 0.79 C ATOM 1602 CZ PHE A 101 -14.484 -5.444 -2.495 1.00 0.77 C ATOM 0 H PHE A 101 -12.953 0.054 -2.749 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.647 -1.668 -0.722 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.632 -1.880 -3.747 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.571 -2.784 -2.685 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -14.159 -2.227 -3.486 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -11.267 -4.840 -1.768 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.899 -3.939 -3.140 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -13.001 -6.547 -1.450 1.00 0.79 H new ATOM 0 HZ PHE A 101 -15.169 -6.274 -2.583 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.378 -0.541 -1.199 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.151 0.181 -1.485 1.00 0.55 C ATOM 1614 C VAL A 102 -7.364 -0.561 -2.556 1.00 0.50 C ATOM 1615 O VAL A 102 -7.005 -1.728 -2.383 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.264 0.381 -0.241 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -7.100 -0.918 0.527 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -5.906 0.935 -0.651 1.00 1.27 C ATOM 0 H VAL A 102 -9.309 -1.239 -0.459 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.438 1.173 -1.834 1.00 0.55 H new ATOM 0 HB VAL A 102 -7.753 1.099 0.418 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -6.470 -0.748 1.400 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -8.078 -1.276 0.850 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -6.635 -1.665 -0.116 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -5.287 1.073 0.235 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -5.418 0.236 -1.330 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -6.040 1.893 -1.152 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.143 0.090 -3.679 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.398 -0.542 -4.738 1.00 0.61 C ATOM 1630 C GLY A 103 -5.352 0.346 -5.341 1.00 0.54 C ATOM 1631 O GLY A 103 -5.556 1.536 -5.610 1.00 0.66 O ATOM 0 H GLY A 103 -7.463 1.038 -3.877 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.921 -1.442 -4.350 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -7.089 -0.860 -5.519 1.00 0.61 H new ATOM 1635 N LEU A 104 -4.234 -0.240 -5.584 1.00 0.53 N ATOM 1636 CA LEU A 104 -3.140 0.492 -6.146 1.00 0.50 C ATOM 1637 C LEU A 104 -2.522 -0.241 -7.304 1.00 0.59 C ATOM 1638 O LEU A 104 -2.418 -1.462 -7.284 1.00 0.92 O ATOM 1639 CB LEU A 104 -2.107 0.803 -5.072 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.729 -0.310 -4.099 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -0.849 -1.359 -4.759 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -1.013 0.305 -2.915 1.00 1.27 C ATOM 0 H LEU A 104 -4.046 -1.226 -5.404 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.526 1.434 -6.535 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.196 1.134 -5.571 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.476 1.646 -4.488 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.638 -0.814 -3.771 1.00 1.07 H new ATOM 0 HD11 LEU A 104 -0.601 -2.134 -4.034 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -1.382 -1.805 -5.599 1.00 1.62 H new ATOM 0 HD13 LEU A 104 0.068 -0.891 -5.118 1.00 1.62 H new ATOM 0 HD21 LEU A 104 -0.736 -0.479 -2.210 1.00 1.27 H new ATOM 0 HD22 LEU A 104 -0.115 0.817 -3.259 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.672 1.020 -2.422 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.108 0.475 -8.331 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.287 -0.183 -9.307 1.00 0.54 C ATOM 1656 C LYS A 105 0.135 0.179 -9.020 1.00 0.49 C ATOM 1657 O LYS A 105 0.636 1.194 -9.459 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.687 0.215 -10.732 1.00 0.70 C ATOM 1659 CG LYS A 105 -1.027 -0.628 -11.816 1.00 0.94 C ATOM 1660 CD LYS A 105 -1.478 -2.083 -11.750 1.00 1.55 C ATOM 1661 CE LYS A 105 -0.790 -2.935 -12.807 1.00 1.97 C ATOM 1662 NZ LYS A 105 -1.201 -2.572 -14.188 1.00 2.09 N ATOM 0 H LYS A 105 -2.316 1.459 -8.501 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.420 -1.263 -9.242 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -2.769 0.134 -10.831 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.430 1.262 -10.892 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -1.269 -0.216 -12.796 1.00 0.94 H new ATOM 0 HG3 LYS A 105 0.056 -0.577 -11.708 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -1.262 -2.486 -10.761 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -2.558 -2.136 -11.887 1.00 1.55 H new ATOM 0 HE2 LYS A 105 0.290 -2.824 -12.712 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -1.019 -3.985 -12.628 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -0.798 -3.255 -14.861 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -2.239 -2.589 -14.257 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -0.854 -1.618 -14.414 1.00 2.09 H new ATOM 1676 N LYS A 106 0.814 -0.723 -8.361 1.00 0.46 N ATOM 1677 CA LYS A 106 2.190 -0.483 -8.013 1.00 0.44 C ATOM 1678 C LYS A 106 3.041 -0.653 -9.245 1.00 0.44 C ATOM 1679 O LYS A 106 4.182 -0.248 -9.274 1.00 0.46 O ATOM 1680 CB LYS A 106 2.675 -1.384 -6.864 1.00 0.51 C ATOM 1681 CG LYS A 106 3.520 -2.577 -7.296 1.00 0.81 C ATOM 1682 CD LYS A 106 2.737 -3.552 -8.153 1.00 1.11 C ATOM 1683 CE LYS A 106 3.622 -4.649 -8.718 1.00 1.02 C ATOM 1684 NZ LYS A 106 4.355 -5.372 -7.651 1.00 1.57 N ATOM 0 H LYS A 106 0.441 -1.622 -8.057 1.00 0.46 H new ATOM 0 HA LYS A 106 2.280 0.539 -7.644 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.256 -0.779 -6.168 1.00 0.51 H new ATOM 0 HB3 LYS A 106 1.806 -1.752 -6.318 1.00 0.51 H new ATOM 0 HG2 LYS A 106 4.388 -2.223 -7.852 1.00 0.81 H new ATOM 0 HG3 LYS A 106 3.896 -3.093 -6.413 1.00 0.81 H new ATOM 0 HD2 LYS A 106 1.940 -3.999 -7.558 1.00 1.11 H new ATOM 0 HD3 LYS A 106 2.260 -3.013 -8.972 1.00 1.11 H new ATOM 0 HE2 LYS A 106 3.011 -5.355 -9.281 1.00 1.02 H new ATOM 0 HE3 LYS A 106 4.335 -4.215 -9.419 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 4.813 -6.215 -8.054 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 5.079 -4.747 -7.242 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 3.688 -5.662 -6.907 1.00 1.57 H new ATOM 1698 N ASN A 107 2.510 -1.312 -10.266 1.00 0.50 N ATOM 1699 CA ASN A 107 3.295 -1.448 -11.467 1.00 0.56 C ATOM 1700 C ASN A 107 3.315 -0.105 -12.189 1.00 0.60 C ATOM 1701 O ASN A 107 4.121 0.135 -13.088 1.00 0.70 O ATOM 1702 CB ASN A 107 2.704 -2.537 -12.374 1.00 0.67 C ATOM 1703 CG ASN A 107 3.336 -2.572 -13.758 1.00 1.47 C ATOM 1704 OD1 ASN A 107 2.860 -1.919 -14.682 1.00 2.40 O ATOM 1705 ND2 ASN A 107 4.407 -3.336 -13.912 1.00 1.84 N ATOM 0 H ASN A 107 1.584 -1.739 -10.284 1.00 0.50 H new ATOM 0 HA ASN A 107 4.312 -1.743 -11.211 1.00 0.56 H new ATOM 0 HB2 ASN A 107 2.835 -3.508 -11.897 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.631 -2.374 -12.476 1.00 0.67 H new ATOM 0 HD21 ASN A 107 4.864 -3.396 -14.822 1.00 1.84 H new ATOM 0 HD22 ASN A 107 4.774 -3.865 -13.121 1.00 1.84 H new ATOM 1712 N GLY A 108 2.425 0.778 -11.751 1.00 0.56 N ATOM 1713 CA GLY A 108 2.408 2.137 -12.228 1.00 0.65 C ATOM 1714 C GLY A 108 2.506 3.123 -11.093 1.00 0.60 C ATOM 1715 O GLY A 108 3.576 3.500 -10.623 1.00 0.71 O ATOM 0 H GLY A 108 1.705 0.565 -11.061 1.00 0.56 H new ATOM 0 HA2 GLY A 108 3.237 2.292 -12.918 1.00 0.65 H new ATOM 0 HA3 GLY A 108 1.490 2.316 -12.788 1.00 0.65 H new ATOM 1719 N SER A 109 1.319 3.408 -10.597 1.00 0.53 N ATOM 1720 CA SER A 109 1.042 4.415 -9.601 1.00 0.64 C ATOM 1721 C SER A 109 -0.262 3.982 -8.950 1.00 0.54 C ATOM 1722 O SER A 109 -1.083 3.323 -9.600 1.00 0.54 O ATOM 1723 CB SER A 109 0.897 5.799 -10.245 1.00 0.93 C ATOM 1724 OG SER A 109 2.034 6.120 -11.029 1.00 1.50 O ATOM 0 H SER A 109 0.478 2.914 -10.897 1.00 0.53 H new ATOM 0 HA SER A 109 1.851 4.500 -8.875 1.00 0.64 H new ATOM 0 HB2 SER A 109 0.003 5.821 -10.869 1.00 0.93 H new ATOM 0 HB3 SER A 109 0.763 6.552 -9.469 1.00 0.93 H new ATOM 0 HG SER A 109 1.915 7.006 -11.430 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.478 4.311 -7.706 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.542 3.662 -6.983 1.00 0.82 C ATOM 1732 C CYS A 110 -2.836 4.467 -7.057 1.00 0.66 C ATOM 1733 O CYS A 110 -2.985 5.473 -6.410 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.041 3.564 -5.557 1.00 1.35 C ATOM 1735 SG CYS A 110 0.500 2.622 -5.406 1.00 2.32 S ATOM 0 H CYS A 110 0.052 5.006 -7.180 1.00 0.76 H new ATOM 0 HA CYS A 110 -1.779 2.684 -7.402 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.886 4.568 -5.163 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -1.808 3.095 -4.940 1.00 1.35 H new ATOM 0 HG CYS A 110 1.499 3.359 -5.793 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.741 4.022 -7.909 1.00 0.72 N ATOM 1742 CA LYS A 111 -5.056 4.618 -8.061 1.00 1.00 C ATOM 1743 C LYS A 111 -6.101 3.536 -8.222 1.00 0.75 C ATOM 1744 O LYS A 111 -6.086 2.908 -9.270 1.00 1.56 O ATOM 1745 CB LYS A 111 -5.105 5.556 -9.271 1.00 2.13 C ATOM 1746 CG LYS A 111 -3.931 5.446 -10.253 1.00 2.53 C ATOM 1747 CD LYS A 111 -3.762 4.047 -10.853 1.00 2.18 C ATOM 1748 CE LYS A 111 -3.156 4.119 -12.245 1.00 3.01 C ATOM 1749 NZ LYS A 111 -1.915 4.936 -12.268 1.00 3.59 N ATOM 0 H LYS A 111 -3.581 3.224 -8.524 1.00 0.72 H new ATOM 0 HA LYS A 111 -5.264 5.200 -7.163 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -6.029 5.365 -9.817 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -5.155 6.583 -8.908 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -4.075 6.164 -11.061 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -3.011 5.725 -9.739 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -3.124 3.445 -10.206 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -4.730 3.548 -10.900 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -2.934 3.111 -12.597 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -3.884 4.545 -12.936 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -1.469 4.864 -13.205 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -2.150 5.930 -12.072 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -1.256 4.587 -11.543 1.00 3.59 H new ATOM 1763 N ARG A 112 -7.000 3.278 -7.299 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.157 2.466 -7.677 1.00 1.36 C ATOM 1765 C ARG A 112 -9.456 2.918 -7.026 1.00 1.14 C ATOM 1766 O ARG A 112 -9.809 2.439 -5.966 1.00 1.79 O ATOM 1767 CB ARG A 112 -7.920 0.981 -7.396 1.00 2.63 C ATOM 1768 CG ARG A 112 -6.848 0.347 -8.267 1.00 3.07 C ATOM 1769 CD ARG A 112 -7.360 0.023 -9.671 1.00 4.09 C ATOM 1770 NE ARG A 112 -7.738 1.219 -10.424 1.00 4.81 N ATOM 1771 CZ ARG A 112 -7.906 1.258 -11.745 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -7.711 0.170 -12.478 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -8.259 2.397 -12.328 1.00 6.59 N ATOM 0 H ARG A 112 -6.969 3.594 -6.330 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.271 2.613 -8.751 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -7.640 0.861 -6.349 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -8.856 0.441 -7.540 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -5.996 1.022 -8.340 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -6.491 -0.567 -7.793 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -6.588 -0.518 -10.219 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -8.221 -0.641 -9.595 1.00 4.09 H new ATOM 0 HE ARG A 112 -7.883 2.083 -9.901 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -7.431 -0.703 -12.031 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -7.841 0.206 -13.489 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -8.400 3.236 -11.765 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -8.389 2.433 -13.339 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.197 3.786 -7.667 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.579 3.968 -7.262 1.00 0.76 C ATOM 1789 C GLY A 113 -12.540 3.188 -8.133 1.00 0.77 C ATOM 1790 O GLY A 113 -13.190 2.257 -7.661 1.00 0.80 O ATOM 0 H GLY A 113 -9.886 4.364 -8.448 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.696 3.654 -6.225 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -11.831 5.028 -7.305 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.646 3.537 -9.423 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.570 2.871 -10.347 1.00 1.07 C ATOM 1796 C PRO A 114 -13.363 1.358 -10.443 1.00 0.90 C ATOM 1797 O PRO A 114 -14.293 0.627 -10.792 1.00 1.05 O ATOM 1798 CB PRO A 114 -13.269 3.539 -11.692 1.00 1.40 C ATOM 1799 CG PRO A 114 -12.720 4.870 -11.324 1.00 1.38 C ATOM 1800 CD PRO A 114 -11.913 4.634 -10.081 1.00 1.03 C ATOM 0 HA PRO A 114 -14.602 2.977 -10.013 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -12.552 2.959 -12.273 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -14.169 3.634 -12.300 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -12.101 5.275 -12.124 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -13.519 5.589 -11.144 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -10.886 4.353 -10.312 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -11.866 5.524 -9.453 1.00 1.03 H new ATOM 1808 N ARG A 115 -12.159 0.871 -10.141 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.913 -0.557 -10.245 1.00 0.74 C ATOM 1810 C ARG A 115 -11.426 -1.188 -8.944 1.00 0.69 C ATOM 1811 O ARG A 115 -10.789 -2.244 -8.977 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.948 -0.864 -11.394 1.00 0.96 C ATOM 1813 CG ARG A 115 -11.594 -0.737 -12.767 1.00 1.39 C ATOM 1814 CD ARG A 115 -12.838 -1.609 -12.861 1.00 1.63 C ATOM 1815 NE ARG A 115 -13.523 -1.479 -14.142 1.00 1.81 N ATOM 1816 CZ ARG A 115 -14.816 -1.179 -14.262 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -15.531 -0.866 -13.187 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -15.393 -1.174 -15.457 1.00 2.62 N ATOM 0 H ARG A 115 -11.364 1.430 -9.832 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.879 -1.014 -10.461 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -10.096 -0.186 -11.336 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -10.560 -1.875 -11.274 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -11.859 0.304 -12.955 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -10.881 -1.029 -13.538 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -12.558 -2.651 -12.708 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -13.525 -1.342 -12.058 1.00 1.63 H new ATOM 0 HE ARG A 115 -12.982 -1.626 -14.994 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -15.091 -0.855 -12.267 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -16.520 -0.637 -13.282 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -14.847 -1.400 -16.288 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -16.383 -0.944 -15.544 1.00 2.62 H new ATOM 1832 N THR A 116 -11.697 -0.566 -7.800 1.00 0.61 N ATOM 1833 CA THR A 116 -11.567 -1.289 -6.549 1.00 0.75 C ATOM 1834 C THR A 116 -12.785 -2.161 -6.294 1.00 0.85 C ATOM 1835 O THR A 116 -13.871 -1.692 -5.944 1.00 1.23 O ATOM 1836 CB THR A 116 -11.303 -0.380 -5.369 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.899 0.899 -5.589 1.00 0.93 O ATOM 1838 CG2 THR A 116 -9.808 -0.261 -5.165 1.00 1.13 C ATOM 0 H THR A 116 -11.998 0.405 -7.717 1.00 0.61 H new ATOM 0 HA THR A 116 -10.692 -1.930 -6.653 1.00 0.75 H new ATOM 0 HB THR A 116 -11.749 -0.801 -4.468 1.00 0.93 H new ATOM 0 HG1 THR A 116 -11.231 1.601 -5.442 1.00 0.93 H new ATOM 0 HG21 THR A 116 -9.608 0.393 -4.316 1.00 1.13 H new ATOM 0 HG22 THR A 116 -9.388 -1.248 -4.970 1.00 1.13 H new ATOM 0 HG23 THR A 116 -9.351 0.158 -6.061 1.00 1.13 H new ATOM 1846 N HIS A 117 -12.535 -3.439 -6.478 1.00 0.70 N ATOM 1847 CA HIS A 117 -13.511 -4.502 -6.581 1.00 0.77 C ATOM 1848 C HIS A 117 -12.722 -5.551 -7.309 1.00 0.68 C ATOM 1849 O HIS A 117 -11.538 -5.305 -7.587 1.00 0.61 O ATOM 1850 CB HIS A 117 -14.748 -4.094 -7.403 1.00 0.89 C ATOM 1851 CG HIS A 117 -16.005 -3.955 -6.596 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -16.366 -2.789 -5.952 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -17.000 -4.841 -6.345 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -17.522 -2.965 -5.337 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -17.928 -4.201 -5.561 1.00 2.85 N ATOM 0 H HIS A 117 -11.580 -3.786 -6.565 1.00 0.70 H new ATOM 0 HA HIS A 117 -13.915 -4.808 -5.616 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -14.543 -3.146 -7.901 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.912 -4.836 -8.185 1.00 0.89 H new ATOM 0 HD1 HIS A 117 -15.824 -1.925 -5.951 1.00 1.92 H new ATOM 0 HD2 HIS A 117 -17.053 -5.861 -6.696 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -18.046 -2.224 -4.751 1.00 2.75 H new ATOM 1864 N TYR A 118 -13.265 -6.687 -7.658 1.00 0.73 N ATOM 1865 CA TYR A 118 -12.452 -7.507 -8.510 1.00 0.69 C ATOM 1866 C TYR A 118 -12.675 -7.019 -9.922 1.00 0.68 C ATOM 1867 O TYR A 118 -13.463 -7.553 -10.700 1.00 0.77 O ATOM 1868 CB TYR A 118 -12.810 -8.984 -8.367 1.00 0.78 C ATOM 1869 CG TYR A 118 -12.117 -9.669 -7.211 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -10.827 -10.168 -7.337 1.00 1.90 C ATOM 1871 CD2 TYR A 118 -12.759 -9.813 -5.986 1.00 2.33 C ATOM 1872 CE1 TYR A 118 -10.197 -10.793 -6.277 1.00 2.72 C ATOM 1873 CE2 TYR A 118 -12.135 -10.434 -4.921 1.00 3.13 C ATOM 1874 CZ TYR A 118 -10.826 -10.937 -5.096 1.00 3.19 C ATOM 1875 OH TYR A 118 -10.228 -11.537 -4.009 1.00 4.11 O ATOM 0 H TYR A 118 -14.184 -7.043 -7.394 1.00 0.73 H new ATOM 0 HA TYR A 118 -11.400 -7.426 -8.236 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -13.888 -9.076 -8.239 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -12.553 -9.502 -9.291 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -10.308 -10.066 -8.278 1.00 1.90 H new ATOM 0 HD2 TYR A 118 -13.763 -9.433 -5.865 1.00 2.33 H new ATOM 0 HE1 TYR A 118 -9.192 -11.169 -6.398 1.00 2.72 H new ATOM 0 HE2 TYR A 118 -12.639 -10.533 -3.971 1.00 3.13 H new ATOM 0 HH TYR A 118 -10.852 -11.540 -3.253 1.00 4.11 H new ATOM 1885 N GLY A 119 -11.947 -5.945 -10.193 1.00 0.62 N ATOM 1886 CA GLY A 119 -11.772 -5.407 -11.510 1.00 0.65 C ATOM 1887 C GLY A 119 -10.352 -5.627 -11.944 1.00 0.65 C ATOM 1888 O GLY A 119 -10.056 -5.923 -13.101 1.00 0.73 O ATOM 0 H GLY A 119 -11.453 -5.418 -9.473 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -12.458 -5.889 -12.207 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -12.007 -4.343 -11.516 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.476 -5.474 -10.956 1.00 0.60 N ATOM 1893 CA GLN A 120 -8.042 -5.475 -11.152 1.00 0.64 C ATOM 1894 C GLN A 120 -7.361 -6.273 -10.050 1.00 0.62 C ATOM 1895 O GLN A 120 -7.833 -6.301 -8.915 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.520 -4.031 -11.117 1.00 0.67 C ATOM 1897 CG GLN A 120 -7.777 -3.235 -12.391 1.00 1.05 C ATOM 1898 CD GLN A 120 -7.044 -3.783 -13.603 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -5.878 -4.373 -13.387 1.00 2.19 O flip ATOM 1900 NE2 GLN A 120 -7.515 -3.658 -14.732 1.00 2.13 N flip ATOM 0 H GLN A 120 -9.754 -5.344 -9.983 1.00 0.60 H new ATOM 0 HA GLN A 120 -7.820 -5.930 -12.117 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -7.984 -3.511 -10.279 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.447 -4.050 -10.926 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -8.848 -3.227 -12.596 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -7.476 -2.200 -12.231 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -8.416 -3.198 -14.861 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -7.005 -4.015 -15.540 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.239 -6.898 -10.380 1.00 0.75 N ATOM 1910 CA LYS A 121 -5.417 -7.578 -9.386 1.00 0.78 C ATOM 1911 C LYS A 121 -4.529 -6.571 -8.674 1.00 0.70 C ATOM 1912 O LYS A 121 -3.551 -6.925 -8.020 1.00 0.75 O ATOM 1913 CB LYS A 121 -4.561 -8.669 -10.026 1.00 1.06 C ATOM 1914 CG LYS A 121 -5.359 -9.849 -10.546 1.00 1.43 C ATOM 1915 CD LYS A 121 -4.442 -10.960 -11.015 1.00 1.94 C ATOM 1916 CE LYS A 121 -5.221 -12.181 -11.461 1.00 2.28 C ATOM 1917 NZ LYS A 121 -4.314 -13.306 -11.798 1.00 2.85 N ATOM 0 H LYS A 121 -5.875 -6.949 -11.332 1.00 0.75 H new ATOM 0 HA LYS A 121 -6.081 -8.052 -8.663 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -3.993 -8.236 -10.849 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -3.838 -9.027 -9.293 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -6.016 -10.222 -9.761 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -5.997 -9.527 -11.369 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -3.827 -10.600 -11.840 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -3.763 -11.236 -10.208 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -5.905 -12.487 -10.670 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -5.830 -11.929 -12.329 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -4.877 -14.127 -12.100 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -3.678 -13.020 -12.569 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -3.751 -13.561 -10.961 1.00 2.85 H new ATOM 1931 N ALA A 122 -4.890 -5.306 -8.821 1.00 0.67 N ATOM 1932 CA ALA A 122 -4.270 -4.228 -8.077 1.00 0.72 C ATOM 1933 C ALA A 122 -4.777 -4.255 -6.642 1.00 0.54 C ATOM 1934 O ALA A 122 -4.389 -3.439 -5.806 1.00 0.59 O ATOM 1935 CB ALA A 122 -4.592 -2.897 -8.734 1.00 0.92 C ATOM 0 H ALA A 122 -5.623 -5.000 -9.461 1.00 0.67 H new ATOM 0 HA ALA A 122 -3.188 -4.356 -8.073 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -4.123 -2.090 -8.170 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -4.212 -2.894 -9.756 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -5.672 -2.750 -8.748 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.707 -5.171 -6.407 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.238 -5.442 -5.082 1.00 0.44 C ATOM 1943 C ILE A 123 -5.466 -6.595 -4.411 1.00 0.40 C ATOM 1944 O ILE A 123 -5.772 -6.987 -3.285 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.743 -5.810 -5.170 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.479 -4.848 -6.107 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.400 -5.790 -3.791 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -8.438 -3.404 -5.660 1.00 1.37 C ATOM 0 H ILE A 123 -6.116 -5.751 -7.139 1.00 0.44 H new ATOM 0 HA ILE A 123 -6.121 -4.541 -4.480 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.811 -6.822 -5.570 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -8.043 -4.922 -7.103 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -9.519 -5.163 -6.190 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.454 -6.052 -3.886 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.904 -6.511 -3.141 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -8.312 -4.793 -3.360 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -8.981 -2.786 -6.375 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -8.901 -3.314 -4.678 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -7.402 -3.070 -5.604 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.458 -7.143 -5.096 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.733 -8.302 -4.563 1.00 0.43 C ATOM 1962 C LEU A 124 -2.398 -7.878 -3.960 1.00 0.37 C ATOM 1963 O LEU A 124 -1.391 -7.758 -4.668 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.505 -9.355 -5.651 1.00 0.63 C ATOM 1965 CG LEU A 124 -4.773 -9.879 -6.331 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -4.443 -11.064 -7.221 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -5.828 -10.263 -5.303 1.00 1.83 C ATOM 0 H LEU A 124 -4.130 -6.812 -6.003 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.347 -8.742 -3.777 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -2.853 -8.930 -6.414 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -2.973 -10.199 -5.211 1.00 0.63 H new ATOM 0 HG LEU A 124 -5.181 -9.079 -6.949 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -5.354 -11.426 -7.698 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -3.730 -10.757 -7.986 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -4.007 -11.861 -6.619 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -6.717 -10.632 -5.814 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -5.434 -11.043 -4.652 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -6.089 -9.389 -4.706 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.386 -7.684 -2.645 1.00 0.37 N ATOM 1980 CA PHE A 125 -1.254 -7.060 -1.977 1.00 0.45 C ATOM 1981 C PHE A 125 -0.291 -8.080 -1.384 1.00 0.36 C ATOM 1982 O PHE A 125 -0.696 -9.128 -0.869 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.750 -6.165 -0.841 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.569 -4.981 -1.266 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -3.916 -5.118 -1.565 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -1.997 -3.720 -1.341 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -4.672 -4.024 -1.932 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -2.749 -2.625 -1.711 1.00 1.05 C ATOM 1989 CZ PHE A 125 -4.088 -2.777 -2.006 1.00 0.85 C ATOM 0 H PHE A 125 -3.149 -7.951 -2.022 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.725 -6.482 -2.735 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -2.345 -6.771 -0.157 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.887 -5.806 -0.280 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -4.379 -6.092 -1.510 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -0.950 -3.594 -1.107 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -5.721 -4.144 -2.161 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -2.290 -1.649 -1.770 1.00 1.05 H new ATOM 0 HZ PHE A 125 -4.678 -1.920 -2.295 1.00 0.85 H new ATOM 1999 N LEU A 126 0.991 -7.754 -1.470 1.00 0.36 N ATOM 2000 CA LEU A 126 2.042 -8.523 -0.831 1.00 0.49 C ATOM 2001 C LEU A 126 3.033 -7.563 -0.173 1.00 0.48 C ATOM 2002 O LEU A 126 3.654 -6.742 -0.856 1.00 0.49 O ATOM 2003 CB LEU A 126 2.754 -9.414 -1.856 1.00 0.68 C ATOM 2004 CG LEU A 126 3.826 -10.347 -1.286 1.00 1.22 C ATOM 2005 CD1 LEU A 126 3.212 -11.340 -0.312 1.00 1.98 C ATOM 2006 CD2 LEU A 126 4.542 -11.074 -2.414 1.00 1.96 C ATOM 0 H LEU A 126 1.330 -6.944 -1.989 1.00 0.36 H new ATOM 0 HA LEU A 126 1.607 -9.170 -0.070 1.00 0.49 H new ATOM 0 HB2 LEU A 126 2.005 -10.019 -2.368 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.216 -8.775 -2.608 1.00 0.68 H new ATOM 0 HG LEU A 126 4.555 -9.747 -0.741 1.00 1.22 H new ATOM 0 HD11 LEU A 126 3.991 -11.993 0.081 1.00 1.98 H new ATOM 0 HD12 LEU A 126 2.742 -10.800 0.510 1.00 1.98 H new ATOM 0 HD13 LEU A 126 2.462 -11.940 -0.828 1.00 1.98 H new ATOM 0 HD21 LEU A 126 5.302 -11.734 -1.997 1.00 1.96 H new ATOM 0 HD22 LEU A 126 3.822 -11.663 -2.982 1.00 1.96 H new ATOM 0 HD23 LEU A 126 5.016 -10.346 -3.073 1.00 1.96 H new ATOM 2018 N PRO A 127 3.186 -7.632 1.155 1.00 0.54 N ATOM 2019 CA PRO A 127 4.092 -6.775 1.894 1.00 0.55 C ATOM 2020 C PRO A 127 5.358 -7.507 2.334 1.00 0.53 C ATOM 2021 O PRO A 127 5.332 -8.335 3.248 1.00 0.66 O ATOM 2022 CB PRO A 127 3.237 -6.412 3.113 1.00 0.72 C ATOM 2023 CG PRO A 127 2.252 -7.546 3.273 1.00 0.81 C ATOM 2024 CD PRO A 127 2.415 -8.462 2.077 1.00 0.68 C ATOM 0 HA PRO A 127 4.452 -5.927 1.311 1.00 0.55 H new ATOM 0 HB2 PRO A 127 3.854 -6.300 4.005 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.721 -5.464 2.961 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.439 -8.088 4.200 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.233 -7.164 3.327 1.00 0.81 H new ATOM 0 HD2 PRO A 127 2.942 -9.380 2.336 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.454 -8.755 1.655 1.00 0.68 H new ATOM 2032 N LEU A 128 6.467 -7.188 1.686 1.00 0.44 N ATOM 2033 CA LEU A 128 7.734 -7.856 1.963 1.00 0.46 C ATOM 2034 C LEU A 128 8.660 -6.925 2.732 1.00 0.39 C ATOM 2035 O LEU A 128 8.979 -5.846 2.255 1.00 0.39 O ATOM 2036 CB LEU A 128 8.399 -8.292 0.653 1.00 0.56 C ATOM 2037 CG LEU A 128 7.583 -9.259 -0.207 1.00 0.98 C ATOM 2038 CD1 LEU A 128 8.301 -9.537 -1.518 1.00 1.34 C ATOM 2039 CD2 LEU A 128 7.326 -10.556 0.548 1.00 1.47 C ATOM 0 H LEU A 128 6.518 -6.470 0.963 1.00 0.44 H new ATOM 0 HA LEU A 128 7.538 -8.740 2.570 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.617 -7.402 0.062 1.00 0.56 H new ATOM 0 HB3 LEU A 128 9.355 -8.760 0.889 1.00 0.56 H new ATOM 0 HG LEU A 128 6.622 -8.797 -0.432 1.00 0.98 H new ATOM 0 HD11 LEU A 128 7.708 -10.227 -2.119 1.00 1.34 H new ATOM 0 HD12 LEU A 128 8.436 -8.603 -2.064 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.275 -9.981 -1.312 1.00 1.34 H new ATOM 0 HD21 LEU A 128 6.744 -11.232 -0.078 1.00 1.47 H new ATOM 0 HD22 LEU A 128 8.277 -11.024 0.802 1.00 1.47 H new ATOM 0 HD23 LEU A 128 6.772 -10.341 1.462 1.00 1.47 H new ATOM 2051 N PRO A 129 9.120 -7.330 3.920 1.00 0.41 N ATOM 2052 CA PRO A 129 9.929 -6.467 4.777 1.00 0.40 C ATOM 2053 C PRO A 129 11.406 -6.507 4.399 1.00 0.48 C ATOM 2054 O PRO A 129 11.854 -7.428 3.708 1.00 0.55 O ATOM 2055 CB PRO A 129 9.692 -7.077 6.154 1.00 0.48 C ATOM 2056 CG PRO A 129 9.519 -8.535 5.896 1.00 0.68 C ATOM 2057 CD PRO A 129 8.890 -8.655 4.528 1.00 0.53 C ATOM 0 HA PRO A 129 9.660 -5.413 4.706 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.534 -6.890 6.821 1.00 0.48 H new ATOM 0 HB3 PRO A 129 8.808 -6.651 6.629 1.00 0.48 H new ATOM 0 HG2 PRO A 129 10.478 -9.052 5.929 1.00 0.68 H new ATOM 0 HG3 PRO A 129 8.885 -8.991 6.656 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.353 -9.450 3.943 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.827 -8.886 4.595 1.00 0.53 H new ATOM 2065 N VAL A 130 12.160 -5.498 4.835 1.00 0.56 N ATOM 2066 CA VAL A 130 13.560 -5.390 4.436 1.00 0.76 C ATOM 2067 C VAL A 130 14.417 -6.389 5.203 1.00 0.97 C ATOM 2068 O VAL A 130 14.110 -6.755 6.337 1.00 1.03 O ATOM 2069 CB VAL A 130 14.122 -3.963 4.650 1.00 0.93 C ATOM 2070 CG1 VAL A 130 15.519 -3.822 4.059 1.00 1.43 C ATOM 2071 CG2 VAL A 130 13.192 -2.913 4.060 1.00 1.36 C ATOM 0 H VAL A 130 11.831 -4.757 5.454 1.00 0.56 H new ATOM 0 HA VAL A 130 13.599 -5.613 3.370 1.00 0.76 H new ATOM 0 HB VAL A 130 14.189 -3.799 5.726 1.00 0.93 H new ATOM 0 HG11 VAL A 130 15.884 -2.809 4.226 1.00 1.43 H new ATOM 0 HG12 VAL A 130 16.191 -4.534 4.539 1.00 1.43 H new ATOM 0 HG13 VAL A 130 15.483 -4.022 2.988 1.00 1.43 H new ATOM 0 HG21 VAL A 130 13.612 -1.921 4.225 1.00 1.36 H new ATOM 0 HG22 VAL A 130 13.080 -3.086 2.990 1.00 1.36 H new ATOM 0 HG23 VAL A 130 12.217 -2.979 4.542 1.00 1.36 H new ATOM 2081 N SER A 131 15.485 -6.820 4.562 1.00 1.27 N ATOM 2082 CA SER A 131 16.424 -7.757 5.146 1.00 1.65 C ATOM 2083 C SER A 131 17.338 -7.030 6.124 1.00 1.86 C ATOM 2084 O SER A 131 17.462 -5.804 6.076 1.00 1.88 O ATOM 2085 CB SER A 131 17.238 -8.429 4.037 1.00 2.07 C ATOM 2086 OG SER A 131 17.745 -7.471 3.122 1.00 2.32 O ATOM 0 H SER A 131 15.727 -6.528 3.615 1.00 1.27 H new ATOM 0 HA SER A 131 15.880 -8.528 5.692 1.00 1.65 H new ATOM 0 HB2 SER A 131 18.064 -8.989 4.476 1.00 2.07 H new ATOM 0 HB3 SER A 131 16.612 -9.147 3.507 1.00 2.07 H new ATOM 0 HG SER A 131 18.262 -7.926 2.425 1.00 2.32 H new ATOM 2092 N SER A 132 17.989 -7.772 7.000 1.00 2.21 N ATOM 2093 CA SER A 132 18.804 -7.159 8.029 1.00 2.54 C ATOM 2094 C SER A 132 20.246 -7.037 7.563 1.00 3.02 C ATOM 2095 O SER A 132 21.099 -7.860 7.896 1.00 3.59 O ATOM 2096 CB SER A 132 18.726 -7.974 9.317 1.00 2.98 C ATOM 2097 OG SER A 132 17.397 -8.014 9.805 1.00 2.97 O ATOM 0 H SER A 132 17.969 -8.792 7.019 1.00 2.21 H new ATOM 0 HA SER A 132 18.422 -6.158 8.226 1.00 2.54 H new ATOM 0 HB2 SER A 132 19.082 -8.988 9.134 1.00 2.98 H new ATOM 0 HB3 SER A 132 19.382 -7.537 10.070 1.00 2.98 H new ATOM 0 HG SER A 132 17.367 -8.542 10.630 1.00 2.97 H new ATOM 2103 N ASP A 133 20.499 -5.998 6.783 1.00 3.06 N ATOM 2104 CA ASP A 133 21.835 -5.698 6.305 1.00 3.74 C ATOM 2105 C ASP A 133 22.152 -4.232 6.552 1.00 3.96 C ATOM 2106 O ASP A 133 21.699 -3.382 5.762 1.00 4.33 O ATOM 2107 CB ASP A 133 21.963 -6.020 4.816 1.00 3.99 C ATOM 2108 CG ASP A 133 23.348 -5.710 4.287 1.00 4.66 C ATOM 2109 OD1 ASP A 133 24.335 -6.204 4.871 1.00 5.12 O ATOM 2110 OD2 ASP A 133 23.457 -4.982 3.280 1.00 5.00 O ATOM 2111 OXT ASP A 133 22.820 -3.930 7.559 1.00 4.10 O ATOM 0 H ASP A 133 19.785 -5.342 6.466 1.00 3.06 H new ATOM 0 HA ASP A 133 22.547 -6.317 6.851 1.00 3.74 H new ATOM 0 HB2 ASP A 133 21.740 -7.074 4.652 1.00 3.99 H new ATOM 0 HB3 ASP A 133 21.224 -5.447 4.256 1.00 3.99 H new TER 2116 ASP A 133