USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 GLN : amide:sc= 0.722 K(o=4.1,f=-6.7!) USER MOD Set 1.2: A 136 LYS NZ :NH3+ 164:sc= 2.44 (180deg=0) USER MOD Set 1.3: A 139 GLN : amide:sc= 0.932 K(o=4.1,f=-8.2!) USER MOD Set 2.1: A 112 CYS SG : rot 50:sc= -0.451 USER MOD Set 2.2: A 116 ASN : amide:sc= 0.996 K(o=0.54,f=-0.46) USER MOD Set 3.1: A 36 THR OG1 : rot 168:sc= 1.04 USER MOD Set 3.2: A 38 GLN : amide:sc= 0.759 K(o=3,f=1.5) USER MOD Set 3.3: A 97 SER OG : rot 143:sc= 1.03 USER MOD Set 3.4: A 99 SER OG : rot 180:sc= 0.178 USER MOD Set 4.1: A 95 TYR OH : rot 81:sc= 0.207 USER MOD Set 4.2: A 101 CYS SG : rot -20:sc= -0.021 USER MOD Set 5.1: A 73 TYR OH : rot -39:sc= 1.04 USER MOD Set 5.2: A 111 ASN : amide:sc= 0.457 K(o=1.5,f=-2.4!) USER MOD Set 6.1: A 54 GLN : amide:sc= -1.16 K(o=0.2,f=0.88) USER MOD Set 6.2: A 60 TYR OH : rot -10:sc= 1.36 USER MOD Set 7.1: A 43 GLN : amide:sc= 0 K(o=3.5,f=1.4) USER MOD Set 7.2: A 44 ASN : amide:sc= 2.24 K(o=3.5,f=-8.7!) USER MOD Set 7.3: A 48 LYS NZ :NH3+ 152:sc= 1.29 (180deg=0) USER MOD Set 8.1: A 42 MET CE :methyl -150:sc= -1.09 (180deg=-2.5!) USER MOD Set 8.2: A 102 MET CE :methyl -172:sc= -0.348 (180deg=-0.163) USER MOD Set 8.3: A 140 MET CE :methyl -128:sc= -0.367 (180deg=-1.33) USER MOD Set 9.1: A 27 SER OG : rot -9:sc= 0.84 USER MOD Set 9.2: A 92 ASN : amide:sc= 0.788 K(o=1.6,f=-0.055) USER MOD Single : A 28 ASN : amide:sc= -0.411 K(o=-0.41,f=-3.9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= 0.142 (180deg=-1.07!) USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0.0383) USER MOD Single : A 37 ASN : amide:sc= -0.094 K(o=-0.094,f=-0.77) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot -101:sc= 1.28 USER MOD Single : A 49 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -2.75 K(o=-2.7,f=-4.7!) USER MOD Single : A 61 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.038) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc=-0.00311 K(o=-0.0031,f=-1.2) USER MOD Single : A 74 HIS : no HE2:sc= -2.37! C(o=-2.4!,f=-4.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -113:sc= 0.0834 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0592 X(o=-0.059,f=-0.26) USER MOD Single : A 81 MET CE :methyl 142:sc= -0.0672 (180deg=-1.14) USER MOD Single : A 83 MET CE :methyl 174:sc= -2.85! (180deg=-2.96) USER MOD Single : A 85 THR OG1 : rot -110:sc= 0.867 USER MOD Single : A 87 LYS NZ :NH3+ -119:sc= 1.26 (180deg=-0.459) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 1.06 K(o=1.1,f=-1.4) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.092) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 72:sc= 1.28 USER MOD Single : A 108 MET CE :methyl -154:sc= -1.12 (180deg=-1.73) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 113 TYR OH : rot -164:sc= 0.585 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 125 MET CE :methyl -169:sc= -0.0212 (180deg=-0.16) USER MOD Single : A 127 GLN : amide:sc= -0.817 K(o=-0.82,f=-0.059) USER MOD Single : A 131 LYS NZ :NH3+ -154:sc= -0.18 (180deg=-0.846) USER MOD Single : A 142 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 26 5.553 -12.380 2.916 1.00 0.93 N ATOM 69 CA VAL A 26 6.194 -11.432 3.810 1.00 0.84 C ATOM 70 C VAL A 26 7.670 -11.791 3.961 1.00 0.83 C ATOM 71 O VAL A 26 8.454 -11.059 4.571 1.00 0.85 O ATOM 72 CB VAL A 26 5.492 -11.393 5.191 1.00 0.83 C ATOM 73 CG1 VAL A 26 5.923 -12.559 6.071 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.748 -10.066 5.889 1.00 0.83 C ATOM 0 HA VAL A 26 6.110 -10.435 3.377 1.00 0.84 H new ATOM 0 HB VAL A 26 4.420 -11.490 5.019 1.00 0.83 H new ATOM 0 HG11 VAL A 26 5.411 -12.499 7.031 1.00 0.93 H new ATOM 0 HG12 VAL A 26 5.667 -13.499 5.581 1.00 0.93 H new ATOM 0 HG13 VAL A 26 7.000 -12.515 6.231 1.00 0.93 H new ATOM 0 HG21 VAL A 26 5.246 -10.061 6.856 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.820 -9.933 6.036 1.00 0.83 H new ATOM 0 HG23 VAL A 26 5.362 -9.252 5.276 1.00 0.83 H new ATOM 84 N SER A 27 8.033 -12.929 3.378 1.00 0.91 N ATOM 85 CA SER A 27 9.397 -13.426 3.386 1.00 1.00 C ATOM 86 C SER A 27 9.577 -14.451 2.275 1.00 1.07 C ATOM 87 O SER A 27 8.650 -15.190 1.938 1.00 1.19 O ATOM 88 CB SER A 27 9.739 -14.067 4.733 1.00 1.15 C ATOM 89 OG SER A 27 9.667 -13.126 5.787 1.00 1.61 O ATOM 0 H SER A 27 7.379 -13.535 2.883 1.00 0.91 H new ATOM 0 HA SER A 27 10.069 -12.583 3.223 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.052 -14.890 4.931 1.00 1.15 H new ATOM 0 HB3 SER A 27 10.742 -14.492 4.691 1.00 1.15 H new ATOM 0 HG SER A 27 9.559 -12.226 5.415 1.00 1.61 H new ATOM 95 N ASN A 28 10.762 -14.470 1.702 1.00 1.07 N ATOM 96 CA ASN A 28 11.120 -15.446 0.686 1.00 1.18 C ATOM 97 C ASN A 28 12.601 -15.774 0.822 1.00 1.23 C ATOM 98 O ASN A 28 13.436 -14.872 0.847 1.00 1.12 O ATOM 99 CB ASN A 28 10.808 -14.901 -0.713 1.00 1.19 C ATOM 100 CG ASN A 28 10.958 -15.938 -1.818 1.00 1.39 C ATOM 101 OD1 ASN A 28 12.041 -16.484 -2.042 1.00 1.60 O ATOM 102 ND2 ASN A 28 9.873 -16.205 -2.529 1.00 1.48 N ATOM 0 H ASN A 28 11.507 -13.810 1.925 1.00 1.07 H new ATOM 0 HA ASN A 28 10.535 -16.355 0.825 1.00 1.18 H new ATOM 0 HB2 ASN A 28 9.789 -14.515 -0.724 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.470 -14.061 -0.922 1.00 1.19 H new ATOM 0 HD21 ASN A 28 9.916 -16.882 -3.291 1.00 1.48 H new ATOM 0 HD22 ASN A 28 8.994 -15.734 -2.315 1.00 1.48 H new ATOM 109 N PRO A 29 12.940 -17.065 0.932 1.00 1.46 N ATOM 110 CA PRO A 29 14.321 -17.520 1.176 1.00 1.60 C ATOM 111 C PRO A 29 15.293 -17.128 0.062 1.00 1.54 C ATOM 112 O PRO A 29 16.394 -16.638 0.328 1.00 1.54 O ATOM 113 CB PRO A 29 14.175 -19.043 1.229 1.00 1.87 C ATOM 114 CG PRO A 29 12.927 -19.323 0.471 1.00 1.86 C ATOM 115 CD PRO A 29 12.008 -18.200 0.825 1.00 1.65 C ATOM 0 HA PRO A 29 14.737 -17.069 2.077 1.00 1.60 H new ATOM 0 HB2 PRO A 29 15.034 -19.540 0.778 1.00 1.87 H new ATOM 0 HB3 PRO A 29 14.104 -19.400 2.257 1.00 1.87 H new ATOM 0 HG2 PRO A 29 13.115 -19.358 -0.602 1.00 1.86 H new ATOM 0 HG3 PRO A 29 12.501 -20.286 0.751 1.00 1.86 H new ATOM 0 HD2 PRO A 29 11.251 -18.035 0.059 1.00 1.65 H new ATOM 0 HD3 PRO A 29 11.480 -18.384 1.761 1.00 1.65 H new ATOM 123 N SER A 30 14.880 -17.345 -1.180 1.00 1.57 N ATOM 124 CA SER A 30 15.725 -17.079 -2.334 1.00 1.63 C ATOM 125 C SER A 30 15.772 -15.587 -2.642 1.00 1.47 C ATOM 126 O SER A 30 16.708 -15.095 -3.271 1.00 1.58 O ATOM 127 CB SER A 30 15.174 -17.842 -3.533 1.00 1.81 C ATOM 128 OG SER A 30 14.870 -19.182 -3.176 1.00 2.18 O ATOM 0 H SER A 30 13.956 -17.708 -1.414 1.00 1.57 H new ATOM 0 HA SER A 30 16.741 -17.408 -2.116 1.00 1.63 H new ATOM 0 HB2 SER A 30 14.277 -17.347 -3.905 1.00 1.81 H new ATOM 0 HB3 SER A 30 15.903 -17.832 -4.343 1.00 1.81 H new ATOM 0 HG SER A 30 14.516 -19.656 -3.957 1.00 2.18 H new ATOM 134 N LYS A 31 14.753 -14.882 -2.185 1.00 1.28 N ATOM 135 CA LYS A 31 14.631 -13.455 -2.443 1.00 1.14 C ATOM 136 C LYS A 31 15.562 -12.649 -1.542 1.00 1.01 C ATOM 137 O LYS A 31 15.524 -12.785 -0.318 1.00 1.03 O ATOM 138 CB LYS A 31 13.189 -13.014 -2.224 1.00 1.14 C ATOM 139 CG LYS A 31 12.763 -11.846 -3.088 1.00 1.18 C ATOM 140 CD LYS A 31 11.252 -11.702 -3.097 1.00 1.26 C ATOM 141 CE LYS A 31 10.814 -10.429 -3.801 1.00 1.93 C ATOM 142 NZ LYS A 31 11.796 -9.328 -3.631 1.00 2.75 N ATOM 0 H LYS A 31 13.993 -15.275 -1.630 1.00 1.28 H new ATOM 0 HA LYS A 31 14.918 -13.270 -3.478 1.00 1.14 H new ATOM 0 HB2 LYS A 31 12.528 -13.858 -2.421 1.00 1.14 H new ATOM 0 HB3 LYS A 31 13.058 -12.744 -1.176 1.00 1.14 H new ATOM 0 HG2 LYS A 31 13.218 -10.928 -2.716 1.00 1.18 H new ATOM 0 HG3 LYS A 31 13.125 -11.991 -4.106 1.00 1.18 H new ATOM 0 HD2 LYS A 31 10.807 -12.564 -3.594 1.00 1.26 H new ATOM 0 HD3 LYS A 31 10.881 -11.698 -2.072 1.00 1.26 H new ATOM 0 HE2 LYS A 31 10.678 -10.632 -4.863 1.00 1.93 H new ATOM 0 HE3 LYS A 31 9.846 -10.114 -3.410 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 11.360 -8.427 -3.915 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 12.087 -9.273 -2.634 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 12.630 -9.512 -4.225 1.00 2.75 H new ATOM 156 N PRO A 32 16.423 -11.809 -2.137 1.00 0.99 N ATOM 157 CA PRO A 32 17.298 -10.921 -1.384 1.00 0.97 C ATOM 158 C PRO A 32 16.547 -9.722 -0.824 1.00 0.85 C ATOM 159 O PRO A 32 15.541 -9.277 -1.384 1.00 0.89 O ATOM 160 CB PRO A 32 18.346 -10.455 -2.410 1.00 1.14 C ATOM 161 CG PRO A 32 18.039 -11.175 -3.685 1.00 1.38 C ATOM 162 CD PRO A 32 16.623 -11.667 -3.583 1.00 1.13 C ATOM 0 HA PRO A 32 17.734 -11.429 -0.524 1.00 0.97 H new ATOM 0 HB2 PRO A 32 18.297 -9.375 -2.552 1.00 1.14 H new ATOM 0 HB3 PRO A 32 19.355 -10.686 -2.067 1.00 1.14 H new ATOM 0 HG2 PRO A 32 18.155 -10.510 -4.541 1.00 1.38 H new ATOM 0 HG3 PRO A 32 18.727 -12.008 -3.833 1.00 1.38 H new ATOM 0 HD2 PRO A 32 15.918 -10.960 -4.020 1.00 1.13 H new ATOM 0 HD3 PRO A 32 16.487 -12.615 -4.104 1.00 1.13 H new ATOM 170 N GLY A 33 17.044 -9.213 0.286 1.00 0.83 N ATOM 171 CA GLY A 33 16.474 -8.038 0.900 1.00 0.79 C ATOM 172 C GLY A 33 17.564 -7.101 1.351 1.00 0.76 C ATOM 173 O GLY A 33 18.571 -7.544 1.910 1.00 0.97 O ATOM 0 H GLY A 33 17.847 -9.601 0.781 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.819 -7.531 0.191 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.858 -8.327 1.752 1.00 0.79 H new ATOM 177 N ARG A 34 17.395 -5.819 1.094 1.00 0.81 N ATOM 178 CA ARG A 34 18.420 -4.853 1.431 1.00 0.79 C ATOM 179 C ARG A 34 17.832 -3.648 2.138 1.00 0.79 C ATOM 180 O ARG A 34 16.619 -3.440 2.141 1.00 0.97 O ATOM 181 CB ARG A 34 19.162 -4.411 0.178 1.00 0.82 C ATOM 182 CG ARG A 34 20.669 -4.427 0.338 1.00 1.24 C ATOM 183 CD ARG A 34 21.251 -5.794 0.025 1.00 1.04 C ATOM 184 NE ARG A 34 22.435 -5.693 -0.820 1.00 0.98 N ATOM 185 CZ ARG A 34 23.292 -6.690 -1.025 1.00 1.43 C ATOM 186 NH1 ARG A 34 23.083 -7.877 -0.463 1.00 1.93 N ATOM 187 NH2 ARG A 34 24.350 -6.503 -1.801 1.00 1.56 N ATOM 0 H ARG A 34 16.563 -5.424 0.656 1.00 0.81 H new ATOM 0 HA ARG A 34 19.122 -5.336 2.111 1.00 0.79 H new ATOM 0 HB2 ARG A 34 18.884 -5.064 -0.650 1.00 0.82 H new ATOM 0 HB3 ARG A 34 18.842 -3.404 -0.089 1.00 0.82 H new ATOM 0 HG2 ARG A 34 21.113 -3.682 -0.322 1.00 1.24 H new ATOM 0 HG3 ARG A 34 20.930 -4.145 1.358 1.00 1.24 H new ATOM 0 HD2 ARG A 34 21.509 -6.302 0.954 1.00 1.04 H new ATOM 0 HD3 ARG A 34 20.499 -6.405 -0.474 1.00 1.04 H new ATOM 0 HE ARG A 34 22.618 -4.803 -1.283 1.00 0.98 H new ATOM 0 HH11 ARG A 34 22.264 -8.025 0.127 1.00 1.93 H new ATOM 0 HH12 ARG A 34 23.742 -8.640 -0.622 1.00 1.93 H new ATOM 0 HH21 ARG A 34 24.506 -5.596 -2.240 1.00 1.56 H new ATOM 0 HH22 ARG A 34 25.008 -7.266 -1.959 1.00 1.56 H new ATOM 201 N LYS A 35 18.707 -2.859 2.730 1.00 0.80 N ATOM 202 CA LYS A 35 18.312 -1.673 3.455 1.00 0.82 C ATOM 203 C LYS A 35 18.864 -0.442 2.753 1.00 0.77 C ATOM 204 O LYS A 35 19.782 0.205 3.251 1.00 0.93 O ATOM 205 CB LYS A 35 18.853 -1.746 4.884 1.00 0.87 C ATOM 206 CG LYS A 35 18.134 -0.844 5.869 1.00 1.42 C ATOM 207 CD LYS A 35 18.992 -0.579 7.098 1.00 1.71 C ATOM 208 CE LYS A 35 20.137 0.376 6.787 1.00 1.85 C ATOM 209 NZ LYS A 35 21.469 -0.262 6.973 1.00 2.64 N ATOM 0 H LYS A 35 19.713 -3.025 2.720 1.00 0.80 H new ATOM 0 HA LYS A 35 17.224 -1.608 3.487 1.00 0.82 H new ATOM 0 HB2 LYS A 35 18.784 -2.776 5.234 1.00 0.87 H new ATOM 0 HB3 LYS A 35 19.911 -1.483 4.874 1.00 0.87 H new ATOM 0 HG2 LYS A 35 17.884 0.101 5.386 1.00 1.42 H new ATOM 0 HG3 LYS A 35 17.194 -1.306 6.171 1.00 1.42 H new ATOM 0 HD2 LYS A 35 18.373 -0.160 7.891 1.00 1.71 H new ATOM 0 HD3 LYS A 35 19.394 -1.521 7.472 1.00 1.71 H new ATOM 0 HE2 LYS A 35 20.045 0.728 5.759 1.00 1.85 H new ATOM 0 HE3 LYS A 35 20.062 1.252 7.432 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 22.161 0.190 6.342 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 21.774 -0.147 7.961 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 21.403 -1.275 6.746 1.00 2.64 H new ATOM 223 N THR A 36 18.322 -0.130 1.587 1.00 0.59 N ATOM 224 CA THR A 36 18.816 0.991 0.815 1.00 0.54 C ATOM 225 C THR A 36 18.093 2.275 1.205 1.00 0.46 C ATOM 226 O THR A 36 17.100 2.242 1.943 1.00 0.46 O ATOM 227 CB THR A 36 18.674 0.758 -0.702 1.00 0.56 C ATOM 228 OG1 THR A 36 17.354 1.108 -1.143 1.00 0.54 O ATOM 229 CG2 THR A 36 18.958 -0.693 -1.067 1.00 0.68 C ATOM 0 H THR A 36 17.546 -0.635 1.159 1.00 0.59 H new ATOM 0 HA THR A 36 19.877 1.088 1.043 1.00 0.54 H new ATOM 0 HB THR A 36 19.405 1.394 -1.201 1.00 0.56 H new ATOM 0 HG1 THR A 36 17.334 1.138 -2.122 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.850 -0.825 -2.144 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.975 -0.951 -0.770 1.00 0.68 H new ATOM 0 HG23 THR A 36 18.253 -1.343 -0.549 1.00 0.68 H new ATOM 237 N ASN A 37 18.601 3.400 0.714 1.00 0.42 N ATOM 238 CA ASN A 37 18.012 4.701 0.998 1.00 0.40 C ATOM 239 C ASN A 37 16.578 4.748 0.515 1.00 0.33 C ATOM 240 O ASN A 37 15.698 5.161 1.254 1.00 0.33 O ATOM 241 CB ASN A 37 18.819 5.823 0.342 1.00 0.48 C ATOM 242 CG ASN A 37 18.426 7.201 0.854 1.00 0.72 C ATOM 243 OD1 ASN A 37 18.108 7.376 2.030 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.445 8.192 -0.029 1.00 0.78 N ATOM 0 H ASN A 37 19.425 3.435 0.114 1.00 0.42 H new ATOM 0 HA ASN A 37 18.029 4.849 2.078 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.880 5.659 0.528 1.00 0.48 H new ATOM 0 HB3 ASN A 37 18.675 5.786 -0.738 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.191 9.137 0.259 1.00 0.78 H new ATOM 0 HD22 ASN A 37 18.714 8.009 -0.996 1.00 0.78 H new ATOM 251 N GLN A 38 16.347 4.300 -0.718 1.00 0.33 N ATOM 252 CA GLN A 38 15.006 4.288 -1.295 1.00 0.31 C ATOM 253 C GLN A 38 14.042 3.508 -0.409 1.00 0.26 C ATOM 254 O GLN A 38 12.938 3.974 -0.117 1.00 0.25 O ATOM 255 CB GLN A 38 15.035 3.667 -2.692 1.00 0.36 C ATOM 256 CG GLN A 38 14.237 4.440 -3.728 1.00 0.46 C ATOM 257 CD GLN A 38 14.831 4.327 -5.115 1.00 0.59 C ATOM 258 OE1 GLN A 38 14.730 3.289 -5.769 1.00 1.04 O ATOM 259 NE2 GLN A 38 15.445 5.399 -5.580 1.00 0.55 N ATOM 0 H GLN A 38 17.074 3.940 -1.337 1.00 0.33 H new ATOM 0 HA GLN A 38 14.660 5.319 -1.366 1.00 0.31 H new ATOM 0 HB2 GLN A 38 16.070 3.595 -3.025 1.00 0.36 H new ATOM 0 HB3 GLN A 38 14.647 2.650 -2.634 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.212 4.070 -3.743 1.00 0.46 H new ATOM 0 HG3 GLN A 38 14.192 5.490 -3.439 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.507 6.240 -5.006 1.00 0.55 H new ATOM 0 HE22 GLN A 38 15.857 5.386 -6.513 1.00 0.55 H new ATOM 268 N LEU A 39 14.473 2.329 0.028 1.00 0.28 N ATOM 269 CA LEU A 39 13.639 1.463 0.852 1.00 0.31 C ATOM 270 C LEU A 39 13.240 2.150 2.151 1.00 0.29 C ATOM 271 O LEU A 39 12.053 2.332 2.431 1.00 0.30 O ATOM 272 CB LEU A 39 14.366 0.159 1.179 1.00 0.38 C ATOM 273 CG LEU A 39 13.561 -0.818 2.033 1.00 0.45 C ATOM 274 CD1 LEU A 39 13.200 -2.049 1.228 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.333 -1.202 3.284 1.00 0.80 C ATOM 0 H LEU A 39 15.398 1.951 -0.176 1.00 0.28 H new ATOM 0 HA LEU A 39 12.739 1.243 0.277 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.639 -0.334 0.246 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.295 0.396 1.698 1.00 0.38 H new ATOM 0 HG LEU A 39 12.639 -0.325 2.342 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.626 -2.736 1.851 1.00 0.63 H new ATOM 0 HD12 LEU A 39 12.602 -1.757 0.365 1.00 0.63 H new ATOM 0 HD13 LEU A 39 14.111 -2.542 0.889 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.741 -1.899 3.878 1.00 0.80 H new ATOM 0 HD22 LEU A 39 15.273 -1.675 3.000 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.540 -0.308 3.873 1.00 0.80 H new ATOM 287 N GLN A 40 14.237 2.529 2.941 1.00 0.29 N ATOM 288 CA GLN A 40 13.982 3.144 4.238 1.00 0.30 C ATOM 289 C GLN A 40 13.303 4.496 4.066 1.00 0.26 C ATOM 290 O GLN A 40 12.547 4.935 4.937 1.00 0.28 O ATOM 291 CB GLN A 40 15.283 3.292 5.025 1.00 0.36 C ATOM 292 CG GLN A 40 15.827 1.966 5.530 1.00 0.42 C ATOM 293 CD GLN A 40 15.864 1.882 7.043 1.00 0.72 C ATOM 294 OE1 GLN A 40 16.787 2.382 7.685 1.00 1.75 O ATOM 295 NE2 GLN A 40 14.866 1.242 7.626 1.00 0.83 N ATOM 0 H GLN A 40 15.224 2.422 2.708 1.00 0.29 H new ATOM 0 HA GLN A 40 13.312 2.494 4.801 1.00 0.30 H new ATOM 0 HB2 GLN A 40 16.032 3.768 4.392 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.114 3.956 5.873 1.00 0.36 H new ATOM 0 HG2 GLN A 40 15.212 1.155 5.141 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.833 1.819 5.138 1.00 0.42 H new ATOM 0 HE21 GLN A 40 14.118 0.840 7.061 1.00 0.83 H new ATOM 0 HE22 GLN A 40 14.843 1.150 8.642 1.00 0.83 H new ATOM 304 N TYR A 41 13.567 5.145 2.937 1.00 0.25 N ATOM 305 CA TYR A 41 12.935 6.406 2.615 1.00 0.24 C ATOM 306 C TYR A 41 11.428 6.251 2.525 1.00 0.22 C ATOM 307 O TYR A 41 10.704 6.815 3.326 1.00 0.23 O ATOM 308 CB TYR A 41 13.472 6.957 1.293 1.00 0.24 C ATOM 309 CG TYR A 41 13.100 8.391 1.055 1.00 0.31 C ATOM 310 CD1 TYR A 41 11.906 8.718 0.435 1.00 0.32 C ATOM 311 CD2 TYR A 41 13.953 9.415 1.427 1.00 0.42 C ATOM 312 CE1 TYR A 41 11.569 10.031 0.196 1.00 0.44 C ATOM 313 CE2 TYR A 41 13.627 10.730 1.195 1.00 0.52 C ATOM 314 CZ TYR A 41 12.395 11.039 0.655 1.00 0.53 C ATOM 315 OH TYR A 41 12.100 12.346 0.336 1.00 0.64 O ATOM 0 H TYR A 41 14.220 4.810 2.229 1.00 0.25 H new ATOM 0 HA TYR A 41 13.169 7.107 3.416 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.558 6.864 1.282 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.092 6.349 0.472 1.00 0.24 H new ATOM 0 HD1 TYR A 41 11.229 7.932 0.135 1.00 0.32 H new ATOM 0 HD2 TYR A 41 14.890 9.177 1.908 1.00 0.42 H new ATOM 0 HE1 TYR A 41 10.666 10.271 -0.346 1.00 0.44 H new ATOM 0 HE2 TYR A 41 14.329 11.515 1.433 1.00 0.52 H new ATOM 0 HH TYR A 41 12.671 12.639 -0.405 1.00 0.64 H new ATOM 325 N MET A 42 10.955 5.456 1.578 1.00 0.20 N ATOM 326 CA MET A 42 9.530 5.379 1.318 1.00 0.20 C ATOM 327 C MET A 42 8.792 4.819 2.529 1.00 0.21 C ATOM 328 O MET A 42 7.632 5.152 2.770 1.00 0.22 O ATOM 329 CB MET A 42 9.271 4.526 0.067 1.00 0.23 C ATOM 330 CG MET A 42 8.195 3.462 0.235 1.00 0.80 C ATOM 331 SD MET A 42 7.566 2.860 -1.342 1.00 1.07 S ATOM 332 CE MET A 42 6.955 4.382 -2.055 1.00 1.13 C ATOM 0 H MET A 42 11.532 4.861 0.983 1.00 0.20 H new ATOM 0 HA MET A 42 9.149 6.384 1.134 1.00 0.20 H new ATOM 0 HB2 MET A 42 8.986 5.185 -0.753 1.00 0.23 H new ATOM 0 HB3 MET A 42 10.202 4.039 -0.224 1.00 0.23 H new ATOM 0 HG2 MET A 42 8.602 2.625 0.803 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.371 3.873 0.818 1.00 0.80 H new ATOM 0 HE1 MET A 42 6.112 4.164 -2.711 1.00 1.13 H new ATOM 0 HE2 MET A 42 6.631 5.052 -1.259 1.00 1.13 H new ATOM 0 HE3 MET A 42 7.749 4.859 -2.630 1.00 1.13 H new ATOM 342 N GLN A 43 9.487 3.995 3.299 1.00 0.24 N ATOM 343 CA GLN A 43 8.920 3.403 4.501 1.00 0.30 C ATOM 344 C GLN A 43 8.637 4.477 5.552 1.00 0.30 C ATOM 345 O GLN A 43 7.540 4.556 6.098 1.00 0.33 O ATOM 346 CB GLN A 43 9.876 2.341 5.054 1.00 0.42 C ATOM 347 CG GLN A 43 9.685 2.028 6.525 1.00 0.84 C ATOM 348 CD GLN A 43 10.867 1.284 7.096 1.00 0.76 C ATOM 349 OE1 GLN A 43 11.587 1.793 7.956 1.00 1.30 O ATOM 350 NE2 GLN A 43 11.084 0.075 6.610 1.00 0.54 N ATOM 0 H GLN A 43 10.451 3.720 3.111 1.00 0.24 H new ATOM 0 HA GLN A 43 7.973 2.927 4.247 1.00 0.30 H new ATOM 0 HB2 GLN A 43 9.749 1.423 4.481 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.901 2.676 4.897 1.00 0.42 H new ATOM 0 HG2 GLN A 43 9.537 2.956 7.078 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.782 1.432 6.656 1.00 0.84 H new ATOM 0 HE21 GLN A 43 10.462 -0.308 5.898 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.874 -0.476 6.947 1.00 0.54 H new ATOM 359 N ASN A 44 9.628 5.305 5.830 1.00 0.30 N ATOM 360 CA ASN A 44 9.481 6.332 6.856 1.00 0.33 C ATOM 361 C ASN A 44 8.863 7.608 6.301 1.00 0.31 C ATOM 362 O ASN A 44 8.187 8.340 7.016 1.00 0.34 O ATOM 363 CB ASN A 44 10.836 6.646 7.497 1.00 0.37 C ATOM 364 CG ASN A 44 11.391 5.486 8.303 1.00 0.42 C ATOM 365 OD1 ASN A 44 11.025 5.286 9.459 1.00 0.50 O ATOM 366 ND2 ASN A 44 12.284 4.716 7.700 1.00 0.47 N ATOM 0 H ASN A 44 10.537 5.291 5.367 1.00 0.30 H new ATOM 0 HA ASN A 44 8.805 5.936 7.614 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.548 6.913 6.716 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.733 7.516 8.146 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.693 3.925 8.197 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.562 4.914 6.739 1.00 0.47 H new ATOM 373 N VAL A 45 9.123 7.888 5.043 1.00 0.27 N ATOM 374 CA VAL A 45 8.651 9.113 4.423 1.00 0.27 C ATOM 375 C VAL A 45 7.268 8.954 3.797 1.00 0.24 C ATOM 376 O VAL A 45 6.325 9.644 4.174 1.00 0.28 O ATOM 377 CB VAL A 45 9.631 9.578 3.332 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.109 10.808 2.617 1.00 0.29 C ATOM 379 CG2 VAL A 45 11.006 9.835 3.919 1.00 0.30 C ATOM 0 H VAL A 45 9.662 7.282 4.424 1.00 0.27 H new ATOM 0 HA VAL A 45 8.587 9.855 5.219 1.00 0.27 H new ATOM 0 HB VAL A 45 9.719 8.778 2.597 1.00 0.26 H new ATOM 0 HG11 VAL A 45 9.822 11.114 1.852 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.151 10.578 2.150 1.00 0.29 H new ATOM 0 HG13 VAL A 45 8.977 11.618 3.335 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.683 10.163 3.130 1.00 0.30 H new ATOM 0 HG22 VAL A 45 10.937 10.610 4.683 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.388 8.917 4.367 1.00 0.30 H new ATOM 389 N VAL A 46 7.149 8.021 2.863 1.00 0.19 N ATOM 390 CA VAL A 46 5.956 7.931 2.034 1.00 0.19 C ATOM 391 C VAL A 46 4.793 7.291 2.787 1.00 0.19 C ATOM 392 O VAL A 46 3.796 7.958 3.073 1.00 0.19 O ATOM 393 CB VAL A 46 6.229 7.157 0.725 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.964 7.061 -0.122 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.351 7.821 -0.065 1.00 0.22 C ATOM 0 H VAL A 46 7.861 7.319 2.661 1.00 0.19 H new ATOM 0 HA VAL A 46 5.677 8.953 1.777 1.00 0.19 H new ATOM 0 HB VAL A 46 6.541 6.146 0.987 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.181 6.512 -1.038 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.189 6.539 0.439 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.617 8.063 -0.373 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.529 7.262 -0.984 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.066 8.844 -0.312 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.261 7.833 0.535 1.00 0.22 H new ATOM 405 N VAL A 47 4.924 6.012 3.127 1.00 0.20 N ATOM 406 CA VAL A 47 3.816 5.293 3.757 1.00 0.23 C ATOM 407 C VAL A 47 3.498 5.853 5.143 1.00 0.23 C ATOM 408 O VAL A 47 2.334 5.927 5.518 1.00 0.25 O ATOM 409 CB VAL A 47 4.045 3.757 3.831 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.446 3.427 4.292 1.00 0.70 C ATOM 411 CG2 VAL A 47 3.014 3.080 4.727 1.00 0.83 C ATOM 0 H VAL A 47 5.768 5.459 2.982 1.00 0.20 H new ATOM 0 HA VAL A 47 2.955 5.454 3.109 1.00 0.23 H new ATOM 0 HB VAL A 47 3.921 3.368 2.820 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.570 2.345 4.332 1.00 0.70 H new ATOM 0 HG12 VAL A 47 6.168 3.850 3.593 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.611 3.848 5.284 1.00 0.70 H new ATOM 0 HG21 VAL A 47 3.205 2.007 4.755 1.00 0.83 H new ATOM 0 HG22 VAL A 47 3.085 3.488 5.735 1.00 0.83 H new ATOM 0 HG23 VAL A 47 2.014 3.260 4.332 1.00 0.83 H new ATOM 421 N LYS A 48 4.511 6.277 5.892 1.00 0.26 N ATOM 422 CA LYS A 48 4.264 6.844 7.212 1.00 0.30 C ATOM 423 C LYS A 48 3.432 8.127 7.125 1.00 0.28 C ATOM 424 O LYS A 48 2.542 8.344 7.944 1.00 0.33 O ATOM 425 CB LYS A 48 5.573 7.103 7.949 1.00 0.36 C ATOM 426 CG LYS A 48 5.770 6.195 9.150 1.00 0.53 C ATOM 427 CD LYS A 48 7.113 6.430 9.814 1.00 1.25 C ATOM 428 CE LYS A 48 7.730 5.125 10.292 1.00 1.79 C ATOM 429 NZ LYS A 48 8.930 5.356 11.136 1.00 2.40 N ATOM 0 H LYS A 48 5.492 6.240 5.615 1.00 0.26 H new ATOM 0 HA LYS A 48 3.690 6.111 7.779 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.405 6.967 7.258 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.598 8.142 8.278 1.00 0.36 H new ATOM 0 HG2 LYS A 48 4.972 6.367 9.872 1.00 0.53 H new ATOM 0 HG3 LYS A 48 5.696 5.154 8.836 1.00 0.53 H new ATOM 0 HD2 LYS A 48 7.788 6.918 9.111 1.00 1.25 H new ATOM 0 HD3 LYS A 48 6.990 7.107 10.659 1.00 1.25 H new ATOM 0 HE2 LYS A 48 6.990 4.560 10.859 1.00 1.79 H new ATOM 0 HE3 LYS A 48 8.004 4.516 9.431 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 9.042 4.567 11.804 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 9.773 5.419 10.531 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 8.816 6.244 11.665 1.00 2.40 H new ATOM 443 N THR A 49 3.703 8.966 6.127 1.00 0.23 N ATOM 444 CA THR A 49 2.923 10.187 5.938 1.00 0.24 C ATOM 445 C THR A 49 1.503 9.858 5.469 1.00 0.22 C ATOM 446 O THR A 49 0.533 10.487 5.904 1.00 0.24 O ATOM 447 CB THR A 49 3.592 11.149 4.932 1.00 0.28 C ATOM 448 OG1 THR A 49 4.916 11.484 5.377 1.00 0.55 O ATOM 449 CG2 THR A 49 2.777 12.427 4.774 1.00 0.52 C ATOM 0 H THR A 49 4.448 8.825 5.444 1.00 0.23 H new ATOM 0 HA THR A 49 2.877 10.687 6.906 1.00 0.24 H new ATOM 0 HB THR A 49 3.644 10.644 3.967 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.531 10.754 5.153 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.270 13.087 4.060 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.780 12.180 4.411 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.698 12.929 5.738 1.00 0.52 H new ATOM 457 N LEU A 50 1.387 8.865 4.588 1.00 0.20 N ATOM 458 CA LEU A 50 0.082 8.404 4.123 1.00 0.21 C ATOM 459 C LEU A 50 -0.702 7.809 5.293 1.00 0.20 C ATOM 460 O LEU A 50 -1.901 8.035 5.433 1.00 0.21 O ATOM 461 CB LEU A 50 0.249 7.359 3.003 1.00 0.24 C ATOM 462 CG LEU A 50 -0.593 7.583 1.731 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.134 6.264 1.205 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.739 8.545 1.997 1.00 0.29 C ATOM 0 H LEU A 50 2.179 8.366 4.184 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.471 9.253 3.720 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.300 7.329 2.717 1.00 0.24 H new ATOM 0 HB3 LEU A 50 0.001 6.379 3.410 1.00 0.24 H new ATOM 0 HG LEU A 50 0.059 8.022 0.976 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.725 6.445 0.307 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.304 5.600 0.965 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.762 5.799 1.965 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.316 8.685 1.083 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.384 8.136 2.775 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.340 9.505 2.324 1.00 0.29 H new ATOM 476 N TRP A 51 0.005 7.068 6.138 1.00 0.22 N ATOM 477 CA TRP A 51 -0.579 6.465 7.328 1.00 0.24 C ATOM 478 C TRP A 51 -1.085 7.534 8.291 1.00 0.26 C ATOM 479 O TRP A 51 -2.110 7.362 8.947 1.00 0.29 O ATOM 480 CB TRP A 51 0.461 5.589 8.031 1.00 0.27 C ATOM 481 CG TRP A 51 -0.128 4.566 8.949 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.523 4.759 10.242 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.382 3.189 8.649 1.00 0.29 C ATOM 484 NE1 TRP A 51 -1.012 3.588 10.763 1.00 0.32 N ATOM 485 CE2 TRP A 51 -0.939 2.609 9.805 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.199 2.390 7.513 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.310 1.266 9.858 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.566 1.059 7.567 1.00 0.37 C ATOM 489 CH2 TRP A 51 -1.120 0.511 8.731 1.00 0.39 C ATOM 0 H TRP A 51 0.998 6.869 6.017 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.425 5.852 7.019 1.00 0.24 H new ATOM 0 HB2 TRP A 51 1.064 5.082 7.277 1.00 0.27 H new ATOM 0 HB3 TRP A 51 1.135 6.229 8.601 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.460 5.696 10.776 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.372 3.465 11.710 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.222 2.807 6.610 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.732 0.837 10.755 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.424 0.432 6.699 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.404 -0.531 8.740 1.00 0.39 H new ATOM 500 N LYS A 52 -0.368 8.646 8.367 1.00 0.27 N ATOM 501 CA LYS A 52 -0.718 9.711 9.294 1.00 0.29 C ATOM 502 C LYS A 52 -1.825 10.607 8.740 1.00 0.30 C ATOM 503 O LYS A 52 -2.123 11.664 9.301 1.00 0.45 O ATOM 504 CB LYS A 52 0.514 10.539 9.646 1.00 0.33 C ATOM 505 CG LYS A 52 1.505 9.791 10.524 1.00 0.48 C ATOM 506 CD LYS A 52 2.208 10.726 11.495 1.00 1.13 C ATOM 507 CE LYS A 52 1.843 10.413 12.937 1.00 1.74 C ATOM 508 NZ LYS A 52 2.839 10.964 13.893 1.00 2.24 N ATOM 0 H LYS A 52 0.458 8.833 7.799 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.100 9.243 10.201 1.00 0.29 H new ATOM 0 HB2 LYS A 52 1.012 10.847 8.727 1.00 0.33 H new ATOM 0 HB3 LYS A 52 0.199 11.449 10.158 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.984 9.012 11.081 1.00 0.48 H new ATOM 0 HG3 LYS A 52 2.245 9.293 9.897 1.00 0.48 H new ATOM 0 HD2 LYS A 52 3.287 10.641 11.366 1.00 1.13 H new ATOM 0 HD3 LYS A 52 1.939 11.757 11.267 1.00 1.13 H new ATOM 0 HE2 LYS A 52 0.859 10.825 13.160 1.00 1.74 H new ATOM 0 HE3 LYS A 52 1.773 9.333 13.068 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 2.554 10.729 14.865 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 3.773 10.552 13.697 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 2.887 11.997 13.787 1.00 2.24 H new ATOM 522 N HIS A 53 -2.429 10.194 7.636 1.00 0.25 N ATOM 523 CA HIS A 53 -3.588 10.891 7.105 1.00 0.26 C ATOM 524 C HIS A 53 -4.849 10.296 7.704 1.00 0.31 C ATOM 525 O HIS A 53 -5.070 9.088 7.634 1.00 0.35 O ATOM 526 CB HIS A 53 -3.637 10.804 5.582 1.00 0.24 C ATOM 527 CG HIS A 53 -4.418 11.911 4.945 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.681 11.702 4.463 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.062 13.198 4.708 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.067 12.849 3.939 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.120 13.789 4.063 1.00 0.39 N ATOM 0 H HIS A 53 -2.136 9.382 7.093 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.514 11.945 7.375 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.619 10.817 5.192 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.076 9.848 5.295 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.127 13.667 4.975 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.026 13.010 3.469 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.175 14.755 3.741 1.00 0.39 H new ATOM 539 N GLN A 54 -5.682 11.140 8.284 1.00 0.42 N ATOM 540 CA GLN A 54 -6.847 10.665 9.016 1.00 0.54 C ATOM 541 C GLN A 54 -8.018 10.347 8.089 1.00 0.42 C ATOM 542 O GLN A 54 -9.157 10.214 8.534 1.00 0.47 O ATOM 543 CB GLN A 54 -7.257 11.680 10.081 1.00 0.79 C ATOM 544 CG GLN A 54 -6.984 11.202 11.500 1.00 1.09 C ATOM 545 CD GLN A 54 -5.506 10.951 11.765 1.00 1.24 C ATOM 546 OE1 GLN A 54 -4.809 11.806 12.314 1.00 1.91 O ATOM 547 NE2 GLN A 54 -5.021 9.772 11.394 1.00 1.21 N ATOM 0 H GLN A 54 -5.577 12.154 8.264 1.00 0.42 H new ATOM 0 HA GLN A 54 -6.567 9.733 9.507 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -6.721 12.614 9.909 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.320 11.898 9.976 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -7.354 11.945 12.206 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -7.542 10.284 11.683 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -5.630 9.090 10.942 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -4.040 9.549 11.561 1.00 1.21 H new ATOM 556 N PHE A 55 -7.729 10.234 6.802 1.00 0.36 N ATOM 557 CA PHE A 55 -8.704 9.758 5.831 1.00 0.31 C ATOM 558 C PHE A 55 -8.272 8.390 5.316 1.00 0.27 C ATOM 559 O PHE A 55 -8.991 7.735 4.570 1.00 0.29 O ATOM 560 CB PHE A 55 -8.830 10.746 4.670 1.00 0.36 C ATOM 561 CG PHE A 55 -10.133 11.495 4.639 1.00 0.45 C ATOM 562 CD1 PHE A 55 -10.849 11.735 5.802 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.644 11.958 3.436 1.00 0.73 C ATOM 564 CE1 PHE A 55 -12.047 12.421 5.765 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.841 12.646 3.394 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.544 12.876 4.559 1.00 0.86 C ATOM 0 H PHE A 55 -6.820 10.467 6.403 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.678 9.674 6.312 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.012 11.464 4.728 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -8.713 10.204 3.732 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.465 11.381 6.748 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.099 11.779 2.521 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.595 12.602 6.678 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.226 13.004 2.451 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.482 13.411 4.528 1.00 0.86 H new ATOM 576 N ALA A 56 -7.086 7.963 5.744 1.00 0.25 N ATOM 577 CA ALA A 56 -6.536 6.673 5.347 1.00 0.25 C ATOM 578 C ALA A 56 -6.844 5.614 6.395 1.00 0.26 C ATOM 579 O ALA A 56 -6.244 4.541 6.413 1.00 0.28 O ATOM 580 CB ALA A 56 -5.033 6.787 5.138 1.00 0.28 C ATOM 0 H ALA A 56 -6.485 8.498 6.371 1.00 0.25 H new ATOM 0 HA ALA A 56 -7.001 6.372 4.408 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.632 5.818 4.842 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.829 7.518 4.356 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.560 7.107 6.066 1.00 0.28 H new ATOM 586 N TRP A 57 -7.803 5.919 7.253 1.00 0.30 N ATOM 587 CA TRP A 57 -8.138 5.044 8.372 1.00 0.34 C ATOM 588 C TRP A 57 -8.758 3.702 7.939 1.00 0.35 C ATOM 589 O TRP A 57 -8.482 2.684 8.575 1.00 0.40 O ATOM 590 CB TRP A 57 -9.014 5.758 9.422 1.00 0.37 C ATOM 591 CG TRP A 57 -10.328 6.287 8.928 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.547 7.473 8.297 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.608 5.657 9.056 1.00 0.42 C ATOM 594 NE1 TRP A 57 -11.882 7.620 8.017 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.554 6.518 8.470 1.00 0.46 C ATOM 596 CE3 TRP A 57 -12.046 4.449 9.604 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -13.911 6.211 8.418 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.393 4.144 9.549 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.312 5.021 8.960 1.00 0.58 C ATOM 0 H TRP A 57 -8.367 6.767 7.199 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.186 4.798 8.844 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.208 5.063 10.239 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.444 6.588 9.839 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -9.781 8.194 8.052 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.305 8.421 7.547 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.345 3.766 10.062 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.621 6.888 7.966 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.743 3.212 9.968 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.358 4.753 8.933 1.00 0.58 H new ATOM 610 N PRO A 58 -9.581 3.632 6.857 1.00 0.34 N ATOM 611 CA PRO A 58 -10.098 2.349 6.371 1.00 0.40 C ATOM 612 C PRO A 58 -9.029 1.570 5.607 1.00 0.36 C ATOM 613 O PRO A 58 -9.281 0.486 5.082 1.00 0.45 O ATOM 614 CB PRO A 58 -11.252 2.739 5.433 1.00 0.47 C ATOM 615 CG PRO A 58 -11.415 4.218 5.561 1.00 0.40 C ATOM 616 CD PRO A 58 -10.097 4.744 6.037 1.00 0.32 C ATOM 0 HA PRO A 58 -10.415 1.700 7.188 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -11.027 2.460 4.403 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.170 2.221 5.710 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.689 4.664 4.605 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.209 4.462 6.266 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.431 4.978 5.207 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.212 5.658 6.620 1.00 0.32 H new ATOM 624 N PHE A 59 -7.833 2.139 5.564 1.00 0.31 N ATOM 625 CA PHE A 59 -6.712 1.547 4.857 1.00 0.31 C ATOM 626 C PHE A 59 -5.691 0.981 5.842 1.00 0.31 C ATOM 627 O PHE A 59 -4.716 0.349 5.446 1.00 0.52 O ATOM 628 CB PHE A 59 -6.057 2.608 3.966 1.00 0.36 C ATOM 629 CG PHE A 59 -6.313 2.416 2.499 1.00 0.47 C ATOM 630 CD1 PHE A 59 -5.740 1.351 1.822 1.00 0.92 C ATOM 631 CD2 PHE A 59 -7.131 3.288 1.802 1.00 0.68 C ATOM 632 CE1 PHE A 59 -5.976 1.161 0.475 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.370 3.104 0.453 1.00 0.87 C ATOM 634 CZ PHE A 59 -6.778 2.083 -0.220 1.00 0.95 C ATOM 0 H PHE A 59 -7.615 3.025 6.020 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.076 0.727 4.238 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.421 3.592 4.262 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -4.981 2.601 4.141 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -5.101 0.662 2.354 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -7.587 4.120 2.317 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -5.549 0.313 -0.039 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -8.033 3.777 -0.070 1.00 0.87 H new ATOM 0 HZ PHE A 59 -6.923 1.980 -1.285 1.00 0.95 H new ATOM 644 N TYR A 60 -5.930 1.203 7.132 1.00 0.35 N ATOM 645 CA TYR A 60 -4.997 0.774 8.176 1.00 0.39 C ATOM 646 C TYR A 60 -4.995 -0.742 8.344 1.00 0.45 C ATOM 647 O TYR A 60 -3.993 -1.331 8.749 1.00 0.63 O ATOM 648 CB TYR A 60 -5.367 1.407 9.521 1.00 0.46 C ATOM 649 CG TYR A 60 -5.130 2.900 9.620 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.317 3.539 8.693 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.708 3.668 10.623 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.087 4.898 8.761 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.481 5.030 10.695 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.721 5.642 9.839 1.00 0.45 C ATOM 655 OH TYR A 60 -4.431 6.991 9.826 1.00 0.58 O ATOM 0 H TYR A 60 -6.762 1.678 7.482 1.00 0.35 H new ATOM 0 HA TYR A 60 -4.004 1.100 7.865 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -6.420 1.209 9.720 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -4.796 0.912 10.306 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -3.856 2.962 7.905 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -6.344 3.195 11.357 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.457 5.393 8.037 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -5.948 5.600 11.484 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.717 7.166 9.177 1.00 0.58 H new ATOM 665 N GLN A 61 -6.123 -1.364 8.052 1.00 0.46 N ATOM 666 CA GLN A 61 -6.299 -2.782 8.323 1.00 0.55 C ATOM 667 C GLN A 61 -6.116 -3.608 7.064 1.00 0.56 C ATOM 668 O GLN A 61 -6.811 -3.388 6.071 1.00 0.57 O ATOM 669 CB GLN A 61 -7.687 -3.046 8.911 1.00 0.65 C ATOM 670 CG GLN A 61 -8.400 -1.791 9.388 1.00 0.71 C ATOM 671 CD GLN A 61 -9.485 -1.326 8.433 1.00 1.09 C ATOM 672 OE1 GLN A 61 -10.485 -0.747 8.856 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.303 -1.584 7.145 1.00 1.63 N ATOM 0 H GLN A 61 -6.932 -0.911 7.627 1.00 0.46 H new ATOM 0 HA GLN A 61 -5.538 -3.077 9.046 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -8.303 -3.538 8.158 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -7.591 -3.738 9.747 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -8.842 -1.980 10.366 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.670 -0.992 9.517 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -8.459 -2.067 6.836 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -10.007 -1.300 6.464 1.00 1.63 H new ATOM 682 N PRO A 62 -5.183 -4.573 7.098 1.00 0.63 N ATOM 683 CA PRO A 62 -4.930 -5.469 5.967 1.00 0.68 C ATOM 684 C PRO A 62 -6.149 -6.309 5.611 1.00 0.69 C ATOM 685 O PRO A 62 -6.918 -6.727 6.486 1.00 0.77 O ATOM 686 CB PRO A 62 -3.793 -6.370 6.451 1.00 0.78 C ATOM 687 CG PRO A 62 -3.190 -5.670 7.617 1.00 0.87 C ATOM 688 CD PRO A 62 -4.290 -4.858 8.235 1.00 0.73 C ATOM 0 HA PRO A 62 -4.687 -4.910 5.064 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -4.167 -7.353 6.736 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -3.055 -6.526 5.664 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -2.785 -6.385 8.333 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -2.364 -5.031 7.303 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -4.804 -5.410 9.021 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -3.909 -3.942 8.686 1.00 0.73 H new ATOM 696 N VAL A 63 -6.317 -6.556 4.327 1.00 0.66 N ATOM 697 CA VAL A 63 -7.439 -7.337 3.844 1.00 0.69 C ATOM 698 C VAL A 63 -7.166 -8.828 4.008 1.00 0.77 C ATOM 699 O VAL A 63 -6.289 -9.400 3.359 1.00 0.88 O ATOM 700 CB VAL A 63 -7.781 -7.006 2.375 1.00 0.73 C ATOM 701 CG1 VAL A 63 -8.533 -8.150 1.712 1.00 0.82 C ATOM 702 CG2 VAL A 63 -8.603 -5.727 2.312 1.00 0.75 C ATOM 0 H VAL A 63 -5.687 -6.225 3.596 1.00 0.66 H new ATOM 0 HA VAL A 63 -8.306 -7.071 4.449 1.00 0.69 H new ATOM 0 HB VAL A 63 -6.848 -6.861 1.831 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -8.759 -7.886 0.679 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -7.917 -9.049 1.730 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -9.462 -8.335 2.251 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -8.841 -5.498 1.273 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -9.527 -5.860 2.875 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -8.031 -4.905 2.742 1.00 0.75 H new ATOM 712 N ASP A 64 -7.915 -9.438 4.910 1.00 0.79 N ATOM 713 CA ASP A 64 -7.818 -10.871 5.151 1.00 0.93 C ATOM 714 C ASP A 64 -9.102 -11.557 4.675 1.00 1.00 C ATOM 715 O ASP A 64 -9.235 -12.778 4.737 1.00 1.51 O ATOM 716 CB ASP A 64 -7.534 -11.119 6.647 1.00 1.02 C ATOM 717 CG ASP A 64 -8.288 -12.291 7.253 1.00 1.29 C ATOM 718 OD1 ASP A 64 -9.476 -12.121 7.603 1.00 1.85 O ATOM 719 OD2 ASP A 64 -7.702 -13.387 7.366 1.00 1.42 O ATOM 0 H ASP A 64 -8.603 -8.961 5.493 1.00 0.79 H new ATOM 0 HA ASP A 64 -6.992 -11.301 4.585 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -6.465 -11.287 6.776 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -7.785 -10.217 7.204 1.00 1.02 H new ATOM 724 N ALA A 65 -10.020 -10.731 4.155 1.00 0.94 N ATOM 725 CA ALA A 65 -11.339 -11.170 3.677 1.00 0.94 C ATOM 726 C ALA A 65 -12.304 -11.396 4.832 1.00 1.03 C ATOM 727 O ALA A 65 -13.360 -10.789 4.887 1.00 1.29 O ATOM 728 CB ALA A 65 -11.253 -12.419 2.804 1.00 0.96 C ATOM 0 H ALA A 65 -9.866 -9.728 4.053 1.00 0.94 H new ATOM 0 HA ALA A 65 -11.726 -10.361 3.057 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -12.253 -12.703 2.476 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -10.631 -12.212 1.933 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -10.814 -13.235 3.378 1.00 0.96 H new ATOM 734 N ILE A 66 -11.927 -12.234 5.775 1.00 1.03 N ATOM 735 CA ILE A 66 -12.841 -12.625 6.838 1.00 1.14 C ATOM 736 C ILE A 66 -12.920 -11.564 7.936 1.00 1.13 C ATOM 737 O ILE A 66 -14.011 -11.217 8.392 1.00 1.19 O ATOM 738 CB ILE A 66 -12.441 -13.993 7.436 1.00 1.24 C ATOM 739 CG1 ILE A 66 -12.777 -15.112 6.450 1.00 1.35 C ATOM 740 CG2 ILE A 66 -13.140 -14.241 8.765 1.00 1.37 C ATOM 741 CD1 ILE A 66 -11.593 -15.590 5.641 1.00 1.89 C ATOM 0 H ILE A 66 -11.001 -12.658 5.831 1.00 1.03 H new ATOM 0 HA ILE A 66 -13.832 -12.717 6.393 1.00 1.14 H new ATOM 0 HB ILE A 66 -11.366 -13.982 7.618 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -13.193 -15.956 7.001 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -13.553 -14.762 5.769 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -12.838 -15.211 9.160 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -12.864 -13.459 9.473 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -14.220 -14.230 8.616 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -11.911 -16.384 4.965 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -11.189 -14.760 5.062 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -10.824 -15.972 6.312 1.00 1.89 H new ATOM 753 N LYS A 67 -11.771 -11.035 8.345 1.00 1.10 N ATOM 754 CA LYS A 67 -11.726 -10.054 9.427 1.00 1.15 C ATOM 755 C LYS A 67 -12.460 -8.766 9.050 1.00 1.13 C ATOM 756 O LYS A 67 -13.027 -8.095 9.911 1.00 1.27 O ATOM 757 CB LYS A 67 -10.275 -9.741 9.837 1.00 1.21 C ATOM 758 CG LYS A 67 -9.522 -8.824 8.873 1.00 1.50 C ATOM 759 CD LYS A 67 -9.289 -7.439 9.467 1.00 1.90 C ATOM 760 CE LYS A 67 -7.804 -7.118 9.594 1.00 2.46 C ATOM 761 NZ LYS A 67 -7.438 -6.701 10.974 1.00 2.99 N ATOM 0 H LYS A 67 -10.861 -11.267 7.946 1.00 1.10 H new ATOM 0 HA LYS A 67 -12.238 -10.497 10.281 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -10.282 -9.280 10.825 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -9.727 -10.679 9.927 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -8.563 -9.275 8.618 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -10.087 -8.730 7.946 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -9.770 -6.689 8.839 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -9.758 -7.381 10.449 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -7.219 -7.994 9.313 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -7.544 -6.323 8.895 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -6.420 -6.492 11.015 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -7.977 -5.850 11.234 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -7.661 -7.469 11.639 1.00 2.99 H new ATOM 775 N LEU A 68 -12.455 -8.428 7.764 1.00 1.02 N ATOM 776 CA LEU A 68 -13.059 -7.182 7.308 1.00 1.03 C ATOM 777 C LEU A 68 -14.334 -7.435 6.511 1.00 1.05 C ATOM 778 O LEU A 68 -14.945 -6.499 5.988 1.00 1.10 O ATOM 779 CB LEU A 68 -12.060 -6.394 6.460 1.00 1.02 C ATOM 780 CG LEU A 68 -12.069 -4.880 6.681 1.00 1.07 C ATOM 781 CD1 LEU A 68 -11.610 -4.538 8.090 1.00 1.61 C ATOM 782 CD2 LEU A 68 -11.187 -4.190 5.652 1.00 1.66 C ATOM 0 H LEU A 68 -12.042 -8.996 7.024 1.00 1.02 H new ATOM 0 HA LEU A 68 -13.326 -6.599 8.190 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -11.058 -6.769 6.666 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -12.265 -6.593 5.408 1.00 1.02 H new ATOM 0 HG LEU A 68 -13.091 -4.522 6.560 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -11.624 -3.456 8.225 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -12.280 -5.003 8.814 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -10.597 -4.909 8.243 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -11.204 -3.113 5.822 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -10.165 -4.556 5.745 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -11.560 -4.405 4.651 1.00 1.66 H new ATOM 794 N ASN A 69 -14.724 -8.703 6.425 1.00 1.06 N ATOM 795 CA ASN A 69 -15.937 -9.100 5.706 1.00 1.12 C ATOM 796 C ASN A 69 -15.875 -8.675 4.238 1.00 1.09 C ATOM 797 O ASN A 69 -16.710 -7.909 3.757 1.00 1.15 O ATOM 798 CB ASN A 69 -17.178 -8.523 6.383 1.00 1.24 C ATOM 799 CG ASN A 69 -18.413 -9.373 6.163 1.00 1.34 C ATOM 800 OD1 ASN A 69 -18.446 -10.236 5.287 1.00 1.74 O ATOM 801 ND2 ASN A 69 -19.438 -9.137 6.966 1.00 1.55 N ATOM 0 H ASN A 69 -14.216 -9.480 6.846 1.00 1.06 H new ATOM 0 HA ASN A 69 -16.002 -10.188 5.736 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -16.993 -8.429 7.453 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -17.361 -7.518 6.002 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -20.296 -9.680 6.871 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -19.370 -8.412 7.680 1.00 1.55 H new ATOM 808 N LEU A 70 -14.862 -9.179 3.546 1.00 1.04 N ATOM 809 CA LEU A 70 -14.660 -8.922 2.125 1.00 1.01 C ATOM 810 C LEU A 70 -14.569 -10.249 1.371 1.00 0.99 C ATOM 811 O LEU A 70 -13.485 -10.647 0.945 1.00 0.95 O ATOM 812 CB LEU A 70 -13.365 -8.119 1.903 1.00 1.01 C ATOM 813 CG LEU A 70 -13.509 -6.599 1.754 1.00 1.13 C ATOM 814 CD1 LEU A 70 -14.968 -6.173 1.712 1.00 1.61 C ATOM 815 CD2 LEU A 70 -12.780 -5.899 2.886 1.00 1.54 C ATOM 0 H LEU A 70 -14.151 -9.783 3.958 1.00 1.04 H new ATOM 0 HA LEU A 70 -15.504 -8.343 1.751 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.696 -8.316 2.740 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -12.877 -8.503 1.007 1.00 1.01 H new ATOM 0 HG LEU A 70 -13.060 -6.309 0.804 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -15.028 -5.090 1.606 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -15.462 -6.649 0.864 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -15.462 -6.475 2.636 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -12.886 -4.820 2.775 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -13.206 -6.209 3.840 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -11.723 -6.165 2.858 1.00 1.54 H new ATOM 827 N PRO A 71 -15.697 -10.958 1.200 1.00 1.06 N ATOM 828 CA PRO A 71 -15.691 -12.288 0.587 1.00 1.11 C ATOM 829 C PRO A 71 -15.483 -12.245 -0.929 1.00 1.05 C ATOM 830 O PRO A 71 -14.515 -12.802 -1.448 1.00 1.09 O ATOM 831 CB PRO A 71 -17.076 -12.842 0.935 1.00 1.28 C ATOM 832 CG PRO A 71 -17.948 -11.648 1.134 1.00 1.30 C ATOM 833 CD PRO A 71 -17.054 -10.527 1.597 1.00 1.18 C ATOM 0 HA PRO A 71 -14.868 -12.901 0.954 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -17.457 -13.476 0.135 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -17.038 -13.454 1.836 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -18.454 -11.380 0.207 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -18.723 -11.854 1.872 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -17.325 -9.582 1.127 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -17.126 -10.380 2.675 1.00 1.18 H new ATOM 841 N ASP A 72 -16.376 -11.556 -1.632 1.00 1.04 N ATOM 842 CA ASP A 72 -16.331 -11.503 -3.093 1.00 1.07 C ATOM 843 C ASP A 72 -15.289 -10.498 -3.572 1.00 0.94 C ATOM 844 O ASP A 72 -15.171 -10.215 -4.767 1.00 0.95 O ATOM 845 CB ASP A 72 -17.706 -11.146 -3.654 1.00 1.24 C ATOM 846 CG ASP A 72 -18.259 -12.229 -4.556 1.00 1.49 C ATOM 847 OD1 ASP A 72 -17.894 -13.409 -4.372 1.00 1.93 O ATOM 848 OD2 ASP A 72 -19.077 -11.908 -5.438 1.00 1.97 O ATOM 0 H ASP A 72 -17.141 -11.025 -1.215 1.00 1.04 H new ATOM 0 HA ASP A 72 -16.046 -12.489 -3.459 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -18.398 -10.974 -2.830 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -17.637 -10.212 -4.212 1.00 1.24 H new ATOM 853 N TYR A 73 -14.534 -9.974 -2.623 1.00 0.87 N ATOM 854 CA TYR A 73 -13.461 -9.033 -2.898 1.00 0.79 C ATOM 855 C TYR A 73 -12.402 -9.672 -3.790 1.00 0.74 C ATOM 856 O TYR A 73 -11.869 -9.038 -4.702 1.00 0.73 O ATOM 857 CB TYR A 73 -12.839 -8.603 -1.573 1.00 0.78 C ATOM 858 CG TYR A 73 -11.993 -7.357 -1.641 1.00 0.73 C ATOM 859 CD1 TYR A 73 -12.463 -6.223 -2.284 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.723 -7.321 -1.087 1.00 0.80 C ATOM 861 CE1 TYR A 73 -11.692 -5.083 -2.371 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.946 -6.185 -1.171 1.00 0.90 C ATOM 863 CZ TYR A 73 -10.437 -5.062 -1.718 1.00 0.94 C ATOM 864 OH TYR A 73 -9.660 -3.941 -1.907 1.00 1.13 O ATOM 0 H TYR A 73 -14.648 -10.190 -1.633 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.863 -8.165 -3.421 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -13.638 -8.443 -0.849 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -12.225 -9.421 -1.195 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -13.449 -6.232 -2.724 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -10.337 -8.194 -0.583 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -12.039 -4.224 -2.926 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.934 -6.199 -0.794 1.00 0.90 H new ATOM 0 HH TYR A 73 -9.739 -3.641 -2.837 1.00 1.13 H new ATOM 874 N HIS A 74 -12.137 -10.946 -3.537 1.00 0.79 N ATOM 875 CA HIS A 74 -11.088 -11.679 -4.237 1.00 0.80 C ATOM 876 C HIS A 74 -11.559 -12.149 -5.613 1.00 0.85 C ATOM 877 O HIS A 74 -10.804 -12.777 -6.356 1.00 0.91 O ATOM 878 CB HIS A 74 -10.643 -12.888 -3.405 1.00 0.89 C ATOM 879 CG HIS A 74 -10.145 -12.544 -2.030 1.00 0.79 C ATOM 880 ND1 HIS A 74 -9.758 -11.267 -1.701 1.00 0.91 N ATOM 881 CD2 HIS A 74 -9.992 -13.343 -0.946 1.00 0.91 C ATOM 882 CE1 HIS A 74 -9.379 -11.317 -0.438 1.00 0.78 C ATOM 883 NE2 HIS A 74 -9.502 -12.553 0.063 1.00 0.82 N ATOM 0 H HIS A 74 -12.640 -11.500 -2.844 1.00 0.79 H new ATOM 0 HA HIS A 74 -10.246 -11.001 -4.377 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -11.481 -13.579 -3.313 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -9.854 -13.414 -3.943 1.00 0.89 H new ATOM 0 HD1 HIS A 74 -9.763 -10.448 -2.309 1.00 0.91 H new ATOM 0 HD2 HIS A 74 -10.213 -14.398 -0.888 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -9.015 -10.468 0.121 1.00 0.78 H new ATOM 891 N LYS A 75 -12.803 -11.843 -5.954 1.00 0.89 N ATOM 892 CA LYS A 75 -13.362 -12.257 -7.229 1.00 0.97 C ATOM 893 C LYS A 75 -13.194 -11.143 -8.246 1.00 0.92 C ATOM 894 O LYS A 75 -12.787 -11.379 -9.383 1.00 1.11 O ATOM 895 CB LYS A 75 -14.842 -12.619 -7.076 1.00 1.09 C ATOM 896 CG LYS A 75 -15.109 -13.668 -6.006 1.00 1.20 C ATOM 897 CD LYS A 75 -14.670 -15.053 -6.454 1.00 1.68 C ATOM 898 CE LYS A 75 -15.371 -16.145 -5.660 1.00 2.05 C ATOM 899 NZ LYS A 75 -16.382 -16.864 -6.476 1.00 2.86 N ATOM 0 H LYS A 75 -13.442 -11.310 -5.365 1.00 0.89 H new ATOM 0 HA LYS A 75 -12.829 -13.142 -7.577 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -15.404 -11.717 -6.836 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -15.218 -12.984 -8.032 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -14.582 -13.397 -5.091 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -16.173 -13.683 -5.768 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -14.885 -15.178 -7.515 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -13.591 -15.150 -6.334 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -14.632 -16.856 -5.290 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -15.855 -15.705 -4.788 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -16.836 -17.599 -5.897 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -17.102 -16.191 -6.808 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -15.917 -17.306 -7.295 1.00 2.86 H new ATOM 913 N ILE A 76 -13.485 -9.924 -7.819 1.00 0.78 N ATOM 914 CA ILE A 76 -13.353 -8.767 -8.691 1.00 0.77 C ATOM 915 C ILE A 76 -11.909 -8.269 -8.717 1.00 0.69 C ATOM 916 O ILE A 76 -11.342 -8.030 -9.786 1.00 0.78 O ATOM 917 CB ILE A 76 -14.295 -7.621 -8.257 1.00 0.82 C ATOM 918 CG1 ILE A 76 -15.754 -8.074 -8.356 1.00 0.94 C ATOM 919 CG2 ILE A 76 -14.065 -6.379 -9.114 1.00 0.87 C ATOM 920 CD1 ILE A 76 -16.651 -7.453 -7.310 1.00 1.00 C ATOM 0 H ILE A 76 -13.813 -9.710 -6.877 1.00 0.78 H new ATOM 0 HA ILE A 76 -13.638 -9.083 -9.694 1.00 0.77 H new ATOM 0 HB ILE A 76 -14.075 -7.365 -7.221 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -16.137 -7.825 -9.346 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -15.796 -9.159 -8.262 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -14.738 -5.585 -8.792 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -13.033 -6.047 -9.004 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -14.260 -6.617 -10.160 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -17.669 -7.819 -7.440 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -16.293 -7.723 -6.317 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -16.639 -6.368 -7.418 1.00 1.00 H new ATOM 932 N ILE A 77 -11.315 -8.139 -7.541 1.00 0.58 N ATOM 933 CA ILE A 77 -9.951 -7.652 -7.427 1.00 0.53 C ATOM 934 C ILE A 77 -8.978 -8.825 -7.396 1.00 0.64 C ATOM 935 O ILE A 77 -9.197 -9.808 -6.688 1.00 0.75 O ATOM 936 CB ILE A 77 -9.776 -6.774 -6.164 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.645 -5.515 -6.263 1.00 0.47 C ATOM 938 CG2 ILE A 77 -8.318 -6.389 -5.967 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.447 -4.736 -7.547 1.00 0.50 C ATOM 0 H ILE A 77 -11.758 -8.365 -6.651 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.735 -7.034 -8.298 1.00 0.53 H new ATOM 0 HB ILE A 77 -10.097 -7.357 -5.301 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.694 -5.801 -6.180 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.424 -4.865 -5.417 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -8.222 -5.772 -5.073 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.716 -7.290 -5.852 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.970 -5.828 -6.834 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -11.095 -3.860 -7.544 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.407 -4.418 -7.623 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.696 -5.369 -8.399 1.00 0.50 H new ATOM 951 N LYS A 78 -7.913 -8.722 -8.181 1.00 0.74 N ATOM 952 CA LYS A 78 -6.937 -9.796 -8.293 1.00 0.90 C ATOM 953 C LYS A 78 -5.928 -9.720 -7.159 1.00 0.73 C ATOM 954 O LYS A 78 -5.478 -10.745 -6.643 1.00 0.72 O ATOM 955 CB LYS A 78 -6.216 -9.717 -9.642 1.00 1.16 C ATOM 956 CG LYS A 78 -7.003 -10.328 -10.790 1.00 1.45 C ATOM 957 CD LYS A 78 -7.839 -9.282 -11.514 1.00 1.67 C ATOM 958 CE LYS A 78 -9.304 -9.690 -11.586 1.00 1.72 C ATOM 959 NZ LYS A 78 -10.080 -8.809 -12.496 1.00 1.99 N ATOM 0 H LYS A 78 -7.704 -7.902 -8.751 1.00 0.74 H new ATOM 0 HA LYS A 78 -7.463 -10.748 -8.228 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -6.006 -8.672 -9.872 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -5.255 -10.225 -9.561 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -6.316 -10.797 -11.494 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -7.654 -11.114 -10.408 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -7.752 -8.325 -10.999 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -7.450 -9.138 -12.522 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -9.377 -10.722 -11.930 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -9.740 -9.655 -10.588 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -10.765 -8.256 -11.943 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -9.432 -8.163 -12.990 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -10.587 -9.391 -13.193 1.00 1.99 H new ATOM 973 N ASN A 79 -5.583 -8.500 -6.776 1.00 0.67 N ATOM 974 CA ASN A 79 -4.623 -8.272 -5.707 1.00 0.56 C ATOM 975 C ASN A 79 -5.273 -7.492 -4.571 1.00 0.54 C ATOM 976 O ASN A 79 -5.246 -6.260 -4.557 1.00 0.52 O ATOM 977 CB ASN A 79 -3.406 -7.512 -6.233 1.00 0.60 C ATOM 978 CG ASN A 79 -2.206 -8.416 -6.428 1.00 1.09 C ATOM 979 OD1 ASN A 79 -1.860 -9.203 -5.548 1.00 2.05 O ATOM 980 ND2 ASN A 79 -1.569 -8.316 -7.584 1.00 1.28 N ATOM 0 H ASN A 79 -5.957 -7.647 -7.193 1.00 0.67 H new ATOM 0 HA ASN A 79 -4.294 -9.240 -5.329 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -3.659 -7.037 -7.181 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -3.149 -6.715 -5.536 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -0.758 -8.905 -7.772 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -1.889 -7.650 -8.287 1.00 1.28 H new ATOM 987 N PRO A 80 -5.884 -8.203 -3.612 1.00 0.58 N ATOM 988 CA PRO A 80 -6.579 -7.581 -2.482 1.00 0.60 C ATOM 989 C PRO A 80 -5.610 -7.012 -1.448 1.00 0.55 C ATOM 990 O PRO A 80 -5.335 -7.637 -0.421 1.00 0.64 O ATOM 991 CB PRO A 80 -7.384 -8.738 -1.893 1.00 0.70 C ATOM 992 CG PRO A 80 -6.606 -9.959 -2.237 1.00 0.89 C ATOM 993 CD PRO A 80 -5.942 -9.676 -3.555 1.00 0.67 C ATOM 0 HA PRO A 80 -7.190 -6.732 -2.788 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -7.497 -8.632 -0.814 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -8.388 -8.777 -2.316 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -5.866 -10.179 -1.468 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -7.259 -10.829 -2.309 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.947 -10.118 -3.604 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -6.514 -10.086 -4.387 1.00 0.67 H new ATOM 1001 N MET A 81 -5.093 -5.829 -1.731 1.00 0.46 N ATOM 1002 CA MET A 81 -4.131 -5.183 -0.853 1.00 0.43 C ATOM 1003 C MET A 81 -4.672 -3.876 -0.318 1.00 0.43 C ATOM 1004 O MET A 81 -5.757 -3.427 -0.697 1.00 0.55 O ATOM 1005 CB MET A 81 -2.814 -4.943 -1.589 1.00 0.44 C ATOM 1006 CG MET A 81 -1.696 -5.866 -1.135 1.00 0.74 C ATOM 1007 SD MET A 81 -1.591 -7.367 -2.129 1.00 0.82 S ATOM 1008 CE MET A 81 -2.226 -8.580 -0.978 1.00 0.70 C ATOM 0 H MET A 81 -5.325 -5.293 -2.567 1.00 0.46 H new ATOM 0 HA MET A 81 -3.950 -5.848 -0.009 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.974 -5.076 -2.659 1.00 0.44 H new ATOM 0 HB3 MET A 81 -2.505 -3.908 -1.439 1.00 0.44 H new ATOM 0 HG2 MET A 81 -0.746 -5.333 -1.186 1.00 0.74 H new ATOM 0 HG3 MET A 81 -1.854 -6.136 -0.091 1.00 0.74 H new ATOM 0 HE1 MET A 81 -2.838 -9.305 -1.514 1.00 0.70 H new ATOM 0 HE2 MET A 81 -1.395 -9.093 -0.495 1.00 0.70 H new ATOM 0 HE3 MET A 81 -2.833 -8.082 -0.222 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.887 -3.266 0.542 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.302 -2.096 1.280 1.00 0.36 C ATOM 1020 C ASP A 82 -3.067 -1.286 1.660 1.00 0.35 C ATOM 1021 O ASP A 82 -2.220 -1.027 0.813 1.00 0.53 O ATOM 1022 CB ASP A 82 -5.106 -2.516 2.522 1.00 0.38 C ATOM 1023 CG ASP A 82 -4.389 -3.564 3.351 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -4.451 -4.763 3.005 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.738 -3.186 4.340 1.00 1.32 O ATOM 0 H ASP A 82 -2.936 -3.571 0.750 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.950 -1.473 0.664 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.299 -1.639 3.139 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -6.075 -2.905 2.209 1.00 0.38 H new ATOM 1030 N MET A 83 -2.933 -0.929 2.926 1.00 0.27 N ATOM 1031 CA MET A 83 -1.807 -0.116 3.363 1.00 0.26 C ATOM 1032 C MET A 83 -1.063 -0.811 4.488 1.00 0.25 C ATOM 1033 O MET A 83 0.091 -0.496 4.781 1.00 0.26 O ATOM 1034 CB MET A 83 -2.278 1.264 3.818 1.00 0.31 C ATOM 1035 CG MET A 83 -1.290 2.374 3.508 1.00 0.43 C ATOM 1036 SD MET A 83 -2.016 4.016 3.686 1.00 0.80 S ATOM 1037 CE MET A 83 -2.558 3.970 5.393 1.00 0.38 C ATOM 0 H MET A 83 -3.585 -1.187 3.667 1.00 0.27 H new ATOM 0 HA MET A 83 -1.131 0.013 2.518 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.230 1.491 3.338 1.00 0.31 H new ATOM 0 HB3 MET A 83 -2.461 1.241 4.892 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.430 2.287 4.172 1.00 0.43 H new ATOM 0 HG3 MET A 83 -0.920 2.253 2.490 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.931 4.952 5.683 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.353 3.233 5.502 1.00 0.38 H new ATOM 0 HE3 MET A 83 -1.720 3.697 6.034 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.720 -1.789 5.090 1.00 0.26 N ATOM 1048 CA GLY A 84 -1.131 -2.510 6.189 1.00 0.29 C ATOM 1049 C GLY A 84 -0.366 -3.700 5.686 1.00 0.26 C ATOM 1050 O GLY A 84 0.619 -4.119 6.289 1.00 0.32 O ATOM 0 H GLY A 84 -2.658 -2.096 4.832 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.466 -1.852 6.749 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.911 -2.836 6.878 1.00 0.29 H new ATOM 1054 N THR A 85 -0.816 -4.234 4.561 1.00 0.24 N ATOM 1055 CA THR A 85 -0.146 -5.348 3.923 1.00 0.25 C ATOM 1056 C THR A 85 1.182 -4.901 3.337 1.00 0.26 C ATOM 1057 O THR A 85 2.200 -5.588 3.460 1.00 0.32 O ATOM 1058 CB THR A 85 -1.024 -5.948 2.806 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.862 -4.924 2.248 1.00 0.95 O ATOM 1060 CG2 THR A 85 -1.893 -7.080 3.331 1.00 0.84 C ATOM 0 H THR A 85 -1.649 -3.908 4.071 1.00 0.24 H new ATOM 0 HA THR A 85 0.032 -6.111 4.680 1.00 0.25 H new ATOM 0 HB THR A 85 -0.364 -6.351 2.038 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.793 -5.086 2.507 1.00 0.95 H new ATOM 0 HG21 THR A 85 -2.499 -7.480 2.518 1.00 0.84 H new ATOM 0 HG22 THR A 85 -1.258 -7.870 3.733 1.00 0.84 H new ATOM 0 HG23 THR A 85 -2.546 -6.703 4.118 1.00 0.84 H new ATOM 1068 N ILE A 86 1.158 -3.737 2.707 1.00 0.27 N ATOM 1069 CA ILE A 86 2.361 -3.129 2.170 1.00 0.31 C ATOM 1070 C ILE A 86 3.343 -2.835 3.298 1.00 0.29 C ATOM 1071 O ILE A 86 4.535 -3.123 3.191 1.00 0.32 O ATOM 1072 CB ILE A 86 2.020 -1.829 1.406 1.00 0.36 C ATOM 1073 CG1 ILE A 86 1.366 -2.166 0.067 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.261 -0.974 1.193 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.614 -1.008 -0.544 1.00 0.97 C ATOM 0 H ILE A 86 0.309 -3.192 2.555 1.00 0.27 H new ATOM 0 HA ILE A 86 2.821 -3.827 1.471 1.00 0.31 H new ATOM 0 HB ILE A 86 1.318 -1.252 2.009 1.00 0.36 H new ATOM 0 HG12 ILE A 86 2.135 -2.498 -0.631 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.680 -3.001 0.207 1.00 0.55 H new ATOM 0 HG21 ILE A 86 2.990 -0.067 0.653 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.689 -0.707 2.159 1.00 0.36 H new ATOM 0 HG23 ILE A 86 3.994 -1.535 0.614 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.176 -1.319 -1.492 1.00 0.97 H new ATOM 0 HD12 ILE A 86 -0.177 -0.690 0.134 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.300 -0.179 -0.716 1.00 0.97 H new ATOM 1087 N LYS A 87 2.822 -2.292 4.392 1.00 0.29 N ATOM 1088 CA LYS A 87 3.639 -1.969 5.549 1.00 0.34 C ATOM 1089 C LYS A 87 4.290 -3.222 6.142 1.00 0.34 C ATOM 1090 O LYS A 87 5.425 -3.157 6.615 1.00 0.38 O ATOM 1091 CB LYS A 87 2.798 -1.218 6.596 1.00 0.41 C ATOM 1092 CG LYS A 87 2.642 -1.938 7.929 1.00 0.49 C ATOM 1093 CD LYS A 87 3.453 -1.266 9.027 1.00 0.69 C ATOM 1094 CE LYS A 87 2.768 -1.387 10.378 1.00 1.08 C ATOM 1095 NZ LYS A 87 2.797 -2.781 10.895 1.00 1.15 N ATOM 0 H LYS A 87 1.833 -2.066 4.499 1.00 0.29 H new ATOM 0 HA LYS A 87 4.449 -1.315 5.228 1.00 0.34 H new ATOM 0 HB2 LYS A 87 3.254 -0.244 6.777 1.00 0.41 H new ATOM 0 HB3 LYS A 87 1.807 -1.034 6.181 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.590 -1.956 8.212 1.00 0.49 H new ATOM 0 HG3 LYS A 87 2.961 -2.975 7.823 1.00 0.49 H new ATOM 0 HD2 LYS A 87 4.443 -1.718 9.078 1.00 0.69 H new ATOM 0 HD3 LYS A 87 3.596 -0.213 8.783 1.00 0.69 H new ATOM 0 HE2 LYS A 87 3.257 -0.725 11.093 1.00 1.08 H new ATOM 0 HE3 LYS A 87 1.734 -1.054 10.291 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 1.824 -3.128 11.012 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 3.303 -3.391 10.221 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 3.285 -2.801 11.813 1.00 1.15 H new ATOM 1109 N LYS A 88 3.591 -4.365 6.095 1.00 0.35 N ATOM 1110 CA LYS A 88 4.148 -5.609 6.627 1.00 0.39 C ATOM 1111 C LYS A 88 5.404 -5.997 5.868 1.00 0.41 C ATOM 1112 O LYS A 88 6.441 -6.294 6.456 1.00 0.46 O ATOM 1113 CB LYS A 88 3.134 -6.748 6.525 1.00 0.42 C ATOM 1114 CG LYS A 88 1.985 -6.633 7.505 1.00 0.73 C ATOM 1115 CD LYS A 88 1.801 -7.914 8.304 1.00 1.26 C ATOM 1116 CE LYS A 88 2.783 -7.991 9.465 1.00 1.68 C ATOM 1117 NZ LYS A 88 2.690 -9.285 10.191 1.00 2.46 N ATOM 0 H LYS A 88 2.654 -4.451 5.700 1.00 0.35 H new ATOM 0 HA LYS A 88 4.392 -5.439 7.676 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.734 -6.776 5.512 1.00 0.42 H new ATOM 0 HB3 LYS A 88 3.647 -7.695 6.691 1.00 0.42 H new ATOM 0 HG2 LYS A 88 2.168 -5.802 8.186 1.00 0.73 H new ATOM 0 HG3 LYS A 88 1.066 -6.405 6.964 1.00 0.73 H new ATOM 0 HD2 LYS A 88 0.781 -7.964 8.685 1.00 1.26 H new ATOM 0 HD3 LYS A 88 1.940 -8.775 7.650 1.00 1.26 H new ATOM 0 HE2 LYS A 88 3.798 -7.858 9.090 1.00 1.68 H new ATOM 0 HE3 LYS A 88 2.589 -7.172 10.158 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 3.376 -9.294 10.973 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 1.729 -9.401 10.572 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 2.900 -10.066 9.537 1.00 2.46 H new ATOM 1131 N ARG A 89 5.298 -5.980 4.552 1.00 0.40 N ATOM 1132 CA ARG A 89 6.412 -6.338 3.686 1.00 0.44 C ATOM 1133 C ARG A 89 7.547 -5.322 3.793 1.00 0.43 C ATOM 1134 O ARG A 89 8.716 -5.663 3.605 1.00 0.48 O ATOM 1135 CB ARG A 89 5.937 -6.449 2.243 1.00 0.47 C ATOM 1136 CG ARG A 89 5.424 -7.833 1.885 1.00 0.68 C ATOM 1137 CD ARG A 89 4.395 -7.779 0.774 1.00 0.64 C ATOM 1138 NE ARG A 89 4.967 -7.303 -0.485 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.237 -6.821 -1.486 1.00 0.78 C ATOM 1140 NH1 ARG A 89 2.917 -6.755 -1.375 1.00 1.16 N ATOM 1141 NH2 ARG A 89 4.827 -6.411 -2.602 1.00 1.03 N ATOM 0 H ARG A 89 4.446 -5.720 4.054 1.00 0.40 H new ATOM 0 HA ARG A 89 6.797 -7.304 4.012 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.145 -5.720 2.071 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.759 -6.190 1.576 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.259 -8.462 1.577 1.00 0.68 H new ATOM 0 HG3 ARG A 89 4.983 -8.297 2.767 1.00 0.68 H new ATOM 0 HD2 ARG A 89 3.970 -8.772 0.626 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.577 -7.123 1.070 1.00 0.64 H new ATOM 0 HE ARG A 89 5.980 -7.343 -0.601 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.460 -7.074 -0.521 1.00 1.16 H new ATOM 0 HH12 ARG A 89 2.358 -6.385 -2.144 1.00 1.16 H new ATOM 0 HH21 ARG A 89 5.842 -6.466 -2.692 1.00 1.03 H new ATOM 0 HH22 ARG A 89 4.266 -6.041 -3.369 1.00 1.03 H new ATOM 1155 N LEU A 90 7.196 -4.078 4.091 1.00 0.40 N ATOM 1156 CA LEU A 90 8.186 -3.025 4.266 1.00 0.41 C ATOM 1157 C LEU A 90 8.986 -3.239 5.544 1.00 0.44 C ATOM 1158 O LEU A 90 10.217 -3.248 5.522 1.00 0.49 O ATOM 1159 CB LEU A 90 7.508 -1.656 4.315 1.00 0.39 C ATOM 1160 CG LEU A 90 7.428 -0.925 2.977 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.384 0.177 3.033 1.00 0.38 C ATOM 1162 CD2 LEU A 90 8.786 -0.355 2.595 1.00 0.45 C ATOM 0 H LEU A 90 6.231 -3.774 4.217 1.00 0.40 H new ATOM 0 HA LEU A 90 8.865 -3.061 3.414 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.497 -1.782 4.704 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.046 -1.026 5.024 1.00 0.39 H new ATOM 0 HG LEU A 90 7.130 -1.642 2.212 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.341 0.687 2.071 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.409 -0.256 3.258 1.00 0.38 H new ATOM 0 HD13 LEU A 90 6.651 0.892 3.811 1.00 0.38 H new ATOM 0 HD21 LEU A 90 8.708 0.162 1.639 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.114 0.347 3.361 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.510 -1.165 2.511 1.00 0.45 H new ATOM 1174 N GLU A 91 8.280 -3.425 6.651 1.00 0.45 N ATOM 1175 CA GLU A 91 8.920 -3.553 7.957 1.00 0.50 C ATOM 1176 C GLU A 91 9.609 -4.907 8.118 1.00 0.54 C ATOM 1177 O GLU A 91 10.456 -5.081 8.995 1.00 0.64 O ATOM 1178 CB GLU A 91 7.901 -3.330 9.083 1.00 0.53 C ATOM 1179 CG GLU A 91 6.885 -4.452 9.238 1.00 0.76 C ATOM 1180 CD GLU A 91 5.750 -4.088 10.177 1.00 0.94 C ATOM 1181 OE1 GLU A 91 6.017 -3.483 11.238 1.00 1.23 O ATOM 1182 OE2 GLU A 91 4.585 -4.398 9.860 1.00 1.39 O ATOM 0 H GLU A 91 7.262 -3.491 6.673 1.00 0.45 H new ATOM 0 HA GLU A 91 9.688 -2.782 8.023 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.437 -3.209 10.024 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.369 -2.397 8.897 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.475 -4.703 8.260 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.389 -5.344 9.612 1.00 0.76 H new ATOM 1189 N ASN A 92 9.250 -5.866 7.275 1.00 0.51 N ATOM 1190 CA ASN A 92 9.872 -7.182 7.326 1.00 0.57 C ATOM 1191 C ASN A 92 10.926 -7.325 6.237 1.00 0.60 C ATOM 1192 O ASN A 92 11.551 -8.377 6.104 1.00 0.68 O ATOM 1193 CB ASN A 92 8.825 -8.287 7.192 1.00 0.60 C ATOM 1194 CG ASN A 92 9.208 -9.528 7.973 1.00 0.69 C ATOM 1195 OD1 ASN A 92 9.621 -9.447 9.130 1.00 1.00 O ATOM 1196 ND2 ASN A 92 9.072 -10.685 7.346 1.00 1.30 N ATOM 0 H ASN A 92 8.537 -5.759 6.553 1.00 0.51 H new ATOM 0 HA ASN A 92 10.358 -7.282 8.296 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.862 -7.919 7.545 1.00 0.60 H new ATOM 0 HB3 ASN A 92 8.702 -8.544 6.140 1.00 0.60 H new ATOM 0 HD21 ASN A 92 9.313 -11.554 7.822 1.00 1.30 H new ATOM 0 HD22 ASN A 92 8.726 -10.708 6.387 1.00 1.30 H new ATOM 1203 N ASN A 93 11.117 -6.254 5.466 1.00 0.58 N ATOM 1204 CA ASN A 93 12.123 -6.221 4.401 1.00 0.62 C ATOM 1205 C ASN A 93 11.934 -7.384 3.426 1.00 0.66 C ATOM 1206 O ASN A 93 12.825 -8.215 3.244 1.00 0.77 O ATOM 1207 CB ASN A 93 13.536 -6.251 5.000 1.00 0.70 C ATOM 1208 CG ASN A 93 14.599 -5.790 4.022 1.00 0.87 C ATOM 1209 OD1 ASN A 93 15.546 -6.518 3.732 1.00 1.75 O ATOM 1210 ND2 ASN A 93 14.460 -4.574 3.519 1.00 1.22 N ATOM 0 H ASN A 93 10.583 -5.390 5.560 1.00 0.58 H new ATOM 0 HA ASN A 93 11.995 -5.292 3.846 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.564 -5.616 5.886 1.00 0.70 H new ATOM 0 HB3 ASN A 93 13.765 -7.265 5.327 1.00 0.70 H new ATOM 0 HD21 ASN A 93 15.153 -4.210 2.865 1.00 1.22 H new ATOM 0 HD22 ASN A 93 13.659 -4.001 3.785 1.00 1.22 H new ATOM 1217 N TYR A 94 10.759 -7.448 2.812 1.00 0.61 N ATOM 1218 CA TYR A 94 10.448 -8.527 1.883 1.00 0.67 C ATOM 1219 C TYR A 94 11.136 -8.314 0.535 1.00 0.70 C ATOM 1220 O TYR A 94 11.439 -9.271 -0.181 1.00 0.79 O ATOM 1221 CB TYR A 94 8.935 -8.637 1.683 1.00 0.71 C ATOM 1222 CG TYR A 94 8.535 -9.528 0.526 1.00 0.71 C ATOM 1223 CD1 TYR A 94 8.752 -10.898 0.569 1.00 0.77 C ATOM 1224 CD2 TYR A 94 7.945 -8.993 -0.611 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.394 -11.711 -0.489 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.583 -9.797 -1.674 1.00 0.81 C ATOM 1227 CZ TYR A 94 7.808 -11.155 -1.609 1.00 0.85 C ATOM 1228 OH TYR A 94 7.449 -11.958 -2.668 1.00 0.96 O ATOM 0 H TYR A 94 10.009 -6.769 2.940 1.00 0.61 H new ATOM 0 HA TYR A 94 10.822 -9.456 2.314 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.484 -9.021 2.598 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.526 -7.640 1.520 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.208 -11.336 1.444 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.766 -7.929 -0.665 1.00 0.74 H new ATOM 0 HE1 TYR A 94 8.571 -12.775 -0.440 1.00 0.83 H new ATOM 0 HE2 TYR A 94 7.126 -9.364 -2.551 1.00 0.81 H new ATOM 0 HH TYR A 94 7.049 -11.409 -3.374 1.00 0.96 H new ATOM 1238 N TYR A 95 11.372 -7.062 0.183 1.00 0.77 N ATOM 1239 CA TYR A 95 11.973 -6.749 -1.102 1.00 0.88 C ATOM 1240 C TYR A 95 13.317 -6.067 -0.928 1.00 0.75 C ATOM 1241 O TYR A 95 13.765 -5.821 0.191 1.00 1.04 O ATOM 1242 CB TYR A 95 11.055 -5.870 -1.953 1.00 1.17 C ATOM 1243 CG TYR A 95 9.938 -5.192 -1.204 1.00 0.95 C ATOM 1244 CD1 TYR A 95 10.180 -4.079 -0.414 1.00 1.05 C ATOM 1245 CD2 TYR A 95 8.638 -5.659 -1.300 1.00 0.92 C ATOM 1246 CE1 TYR A 95 9.156 -3.453 0.263 1.00 1.09 C ATOM 1247 CE2 TYR A 95 7.607 -5.040 -0.628 1.00 0.96 C ATOM 1248 CZ TYR A 95 7.868 -3.938 0.152 1.00 1.04 C ATOM 1249 OH TYR A 95 6.839 -3.324 0.826 1.00 1.28 O ATOM 0 H TYR A 95 11.159 -6.251 0.764 1.00 0.77 H new ATOM 0 HA TYR A 95 12.123 -7.696 -1.621 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.660 -5.105 -2.440 1.00 1.17 H new ATOM 0 HB3 TYR A 95 10.621 -6.484 -2.742 1.00 1.17 H new ATOM 0 HD1 TYR A 95 11.186 -3.697 -0.328 1.00 1.05 H new ATOM 0 HD2 TYR A 95 8.429 -6.524 -1.912 1.00 0.92 H new ATOM 0 HE1 TYR A 95 9.360 -2.588 0.877 1.00 1.09 H new ATOM 0 HE2 TYR A 95 6.599 -5.418 -0.713 1.00 0.96 H new ATOM 0 HH TYR A 95 6.544 -2.535 0.325 1.00 1.28 H new ATOM 1259 N TRP A 96 13.939 -5.750 -2.051 1.00 0.72 N ATOM 1260 CA TRP A 96 15.260 -5.150 -2.055 1.00 0.65 C ATOM 1261 C TRP A 96 15.173 -3.652 -1.803 1.00 0.61 C ATOM 1262 O TRP A 96 15.931 -3.097 -1.007 1.00 0.64 O ATOM 1263 CB TRP A 96 15.944 -5.420 -3.398 1.00 0.68 C ATOM 1264 CG TRP A 96 17.419 -5.174 -3.380 1.00 0.72 C ATOM 1265 CD1 TRP A 96 18.047 -4.011 -3.047 1.00 0.70 C ATOM 1266 CD2 TRP A 96 18.451 -6.104 -3.718 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.406 -4.171 -3.133 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.680 -5.442 -3.552 1.00 0.86 C ATOM 1269 CE3 TRP A 96 18.457 -7.433 -4.138 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 20.900 -6.062 -3.794 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 19.669 -8.049 -4.382 1.00 1.03 C ATOM 1272 CH2 TRP A 96 20.878 -7.363 -4.208 1.00 1.05 C ATOM 0 H TRP A 96 13.545 -5.901 -2.980 1.00 0.72 H new ATOM 0 HA TRP A 96 15.849 -5.596 -1.254 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.760 -6.455 -3.688 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.488 -4.789 -4.161 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.548 -3.098 -2.758 1.00 0.70 H new ATOM 0 HE1 TRP A 96 20.101 -3.456 -2.919 1.00 0.79 H new ATOM 0 HE3 TRP A 96 17.530 -7.972 -4.270 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.832 -5.534 -3.659 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 19.685 -9.077 -4.713 1.00 1.03 H new ATOM 0 HH2 TRP A 96 21.810 -7.872 -4.405 1.00 1.05 H new ATOM 1283 N SER A 97 14.234 -3.006 -2.469 1.00 0.60 N ATOM 1284 CA SER A 97 14.149 -1.562 -2.432 1.00 0.56 C ATOM 1285 C SER A 97 12.699 -1.091 -2.551 1.00 0.54 C ATOM 1286 O SER A 97 11.777 -1.903 -2.670 1.00 0.55 O ATOM 1287 CB SER A 97 15.006 -0.988 -3.560 1.00 0.58 C ATOM 1288 OG SER A 97 15.008 0.431 -3.545 1.00 1.00 O ATOM 0 H SER A 97 13.521 -3.460 -3.041 1.00 0.60 H new ATOM 0 HA SER A 97 14.524 -1.204 -1.473 1.00 0.56 H new ATOM 0 HB2 SER A 97 16.028 -1.355 -3.464 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.629 -1.342 -4.520 1.00 0.58 H new ATOM 0 HG SER A 97 15.898 0.760 -3.793 1.00 1.00 H new ATOM 1294 N ALA A 98 12.509 0.225 -2.536 1.00 0.54 N ATOM 1295 CA ALA A 98 11.179 0.819 -2.576 1.00 0.56 C ATOM 1296 C ALA A 98 10.574 0.719 -3.967 1.00 0.52 C ATOM 1297 O ALA A 98 9.361 0.845 -4.137 1.00 0.53 O ATOM 1298 CB ALA A 98 11.230 2.271 -2.135 1.00 0.66 C ATOM 0 H ALA A 98 13.268 0.905 -2.496 1.00 0.54 H new ATOM 0 HA ALA A 98 10.546 0.261 -1.886 1.00 0.56 H new ATOM 0 HB1 ALA A 98 10.228 2.698 -2.171 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.612 2.328 -1.116 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.887 2.831 -2.801 1.00 0.66 H new ATOM 1304 N SER A 99 11.420 0.483 -4.960 1.00 0.52 N ATOM 1305 CA SER A 99 10.969 0.307 -6.332 1.00 0.54 C ATOM 1306 C SER A 99 10.003 -0.871 -6.422 1.00 0.48 C ATOM 1307 O SER A 99 9.090 -0.888 -7.247 1.00 0.50 O ATOM 1308 CB SER A 99 12.181 0.074 -7.230 1.00 0.62 C ATOM 1309 OG SER A 99 13.358 -0.040 -6.443 1.00 0.85 O ATOM 0 H SER A 99 12.430 0.409 -4.839 1.00 0.52 H new ATOM 0 HA SER A 99 10.444 1.203 -6.662 1.00 0.54 H new ATOM 0 HB2 SER A 99 12.038 -0.833 -7.818 1.00 0.62 H new ATOM 0 HB3 SER A 99 12.284 0.899 -7.935 1.00 0.62 H new ATOM 0 HG SER A 99 14.129 -0.191 -7.028 1.00 0.85 H new ATOM 1315 N GLU A 100 10.195 -1.837 -5.532 1.00 0.46 N ATOM 1316 CA GLU A 100 9.366 -3.029 -5.495 1.00 0.48 C ATOM 1317 C GLU A 100 8.073 -2.750 -4.735 1.00 0.44 C ATOM 1318 O GLU A 100 7.054 -3.404 -4.948 1.00 0.52 O ATOM 1319 CB GLU A 100 10.144 -4.162 -4.830 1.00 0.56 C ATOM 1320 CG GLU A 100 10.741 -5.144 -5.821 1.00 1.03 C ATOM 1321 CD GLU A 100 11.445 -6.302 -5.147 1.00 1.83 C ATOM 1322 OE1 GLU A 100 12.531 -6.093 -4.566 1.00 2.44 O ATOM 1323 OE2 GLU A 100 10.914 -7.430 -5.187 1.00 2.37 O ATOM 0 H GLU A 100 10.926 -1.814 -4.821 1.00 0.46 H new ATOM 0 HA GLU A 100 9.105 -3.322 -6.512 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.944 -3.737 -4.224 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.481 -4.699 -4.152 1.00 0.56 H new ATOM 0 HG2 GLU A 100 9.950 -5.530 -6.464 1.00 1.03 H new ATOM 0 HG3 GLU A 100 11.448 -4.620 -6.464 1.00 1.03 H new ATOM 1330 N CYS A 101 8.130 -1.760 -3.854 1.00 0.41 N ATOM 1331 CA CYS A 101 6.991 -1.384 -3.028 1.00 0.44 C ATOM 1332 C CYS A 101 6.054 -0.449 -3.787 1.00 0.38 C ATOM 1333 O CYS A 101 4.842 -0.447 -3.562 1.00 0.38 O ATOM 1334 CB CYS A 101 7.479 -0.708 -1.744 1.00 0.57 C ATOM 1335 SG CYS A 101 6.234 -0.611 -0.443 1.00 0.95 S ATOM 0 H CYS A 101 8.965 -1.197 -3.692 1.00 0.41 H new ATOM 0 HA CYS A 101 6.438 -2.288 -2.772 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.343 -1.254 -1.365 1.00 0.57 H new ATOM 0 HB3 CYS A 101 7.818 0.300 -1.983 1.00 0.57 H new ATOM 0 HG CYS A 101 5.050 -0.744 -0.964 1.00 0.95 H new ATOM 1341 N MET A 102 6.630 0.342 -4.687 1.00 0.39 N ATOM 1342 CA MET A 102 5.873 1.328 -5.454 1.00 0.44 C ATOM 1343 C MET A 102 4.762 0.671 -6.269 1.00 0.36 C ATOM 1344 O MET A 102 3.690 1.249 -6.454 1.00 0.39 O ATOM 1345 CB MET A 102 6.806 2.111 -6.384 1.00 0.58 C ATOM 1346 CG MET A 102 6.254 3.465 -6.804 1.00 0.75 C ATOM 1347 SD MET A 102 7.552 4.680 -7.116 1.00 1.02 S ATOM 1348 CE MET A 102 7.895 5.250 -5.453 1.00 1.13 C ATOM 0 H MET A 102 7.626 0.319 -4.905 1.00 0.39 H new ATOM 0 HA MET A 102 5.412 2.014 -4.743 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.763 2.258 -5.884 1.00 0.58 H new ATOM 0 HB3 MET A 102 7.000 1.515 -7.276 1.00 0.58 H new ATOM 0 HG2 MET A 102 5.651 3.344 -7.704 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.591 3.840 -6.025 1.00 0.75 H new ATOM 0 HE1 MET A 102 8.573 6.103 -5.493 1.00 1.13 H new ATOM 0 HE2 MET A 102 6.964 5.549 -4.972 1.00 1.13 H new ATOM 0 HE3 MET A 102 8.357 4.446 -4.881 1.00 1.13 H new ATOM 1358 N GLN A 103 5.021 -0.542 -6.740 1.00 0.34 N ATOM 1359 CA GLN A 103 4.048 -1.273 -7.541 1.00 0.36 C ATOM 1360 C GLN A 103 2.805 -1.593 -6.716 1.00 0.30 C ATOM 1361 O GLN A 103 1.678 -1.391 -7.169 1.00 0.31 O ATOM 1362 CB GLN A 103 4.678 -2.561 -8.081 1.00 0.43 C ATOM 1363 CG GLN A 103 3.786 -3.326 -9.050 1.00 1.36 C ATOM 1364 CD GLN A 103 3.262 -4.629 -8.473 1.00 2.17 C ATOM 1365 OE1 GLN A 103 2.079 -4.943 -8.594 1.00 2.70 O ATOM 1366 NE2 GLN A 103 4.138 -5.400 -7.850 1.00 2.96 N ATOM 0 H GLN A 103 5.897 -1.040 -6.581 1.00 0.34 H new ATOM 0 HA GLN A 103 3.747 -0.648 -8.382 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.614 -2.314 -8.582 1.00 0.43 H new ATOM 0 HB3 GLN A 103 4.928 -3.211 -7.242 1.00 0.43 H new ATOM 0 HG2 GLN A 103 2.943 -2.696 -9.334 1.00 1.36 H new ATOM 0 HG3 GLN A 103 4.346 -3.538 -9.961 1.00 1.36 H new ATOM 0 HE21 GLN A 103 5.111 -5.105 -7.770 1.00 2.96 H new ATOM 0 HE22 GLN A 103 3.840 -6.290 -7.450 1.00 2.96 H new ATOM 1375 N ASP A 104 3.015 -2.068 -5.497 1.00 0.30 N ATOM 1376 CA ASP A 104 1.911 -2.423 -4.617 1.00 0.32 C ATOM 1377 C ASP A 104 1.201 -1.172 -4.131 1.00 0.29 C ATOM 1378 O ASP A 104 -0.022 -1.147 -4.015 1.00 0.31 O ATOM 1379 CB ASP A 104 2.413 -3.229 -3.424 1.00 0.48 C ATOM 1380 CG ASP A 104 2.397 -4.716 -3.689 1.00 0.88 C ATOM 1381 OD1 ASP A 104 3.282 -5.208 -4.417 1.00 1.09 O ATOM 1382 OD2 ASP A 104 1.478 -5.401 -3.195 1.00 1.87 O ATOM 0 H ASP A 104 3.940 -2.217 -5.094 1.00 0.30 H new ATOM 0 HA ASP A 104 1.208 -3.035 -5.182 1.00 0.32 H new ATOM 0 HB2 ASP A 104 3.428 -2.917 -3.179 1.00 0.48 H new ATOM 0 HB3 ASP A 104 1.793 -3.011 -2.554 1.00 0.48 H new ATOM 1387 N PHE A 105 1.982 -0.130 -3.860 1.00 0.30 N ATOM 1388 CA PHE A 105 1.439 1.149 -3.416 1.00 0.33 C ATOM 1389 C PHE A 105 0.454 1.702 -4.437 1.00 0.32 C ATOM 1390 O PHE A 105 -0.619 2.189 -4.085 1.00 0.38 O ATOM 1391 CB PHE A 105 2.568 2.152 -3.192 1.00 0.38 C ATOM 1392 CG PHE A 105 2.565 2.764 -1.822 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.523 3.585 -1.412 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.611 2.528 -0.946 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.527 4.155 -0.153 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.620 3.094 0.311 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.576 3.908 0.707 1.00 0.33 C ATOM 0 H PHE A 105 2.999 -0.148 -3.941 1.00 0.30 H new ATOM 0 HA PHE A 105 0.911 0.986 -2.476 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.523 1.654 -3.356 1.00 0.38 H new ATOM 0 HB3 PHE A 105 2.491 2.945 -3.935 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.701 3.780 -2.084 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.430 1.893 -1.251 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.711 4.792 0.156 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.442 2.902 0.985 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.582 4.351 1.692 1.00 0.33 H new ATOM 1407 N ASN A 106 0.827 1.622 -5.705 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.055 2.050 -6.778 1.00 0.34 C ATOM 1409 C ASN A 106 -1.271 1.135 -6.852 1.00 0.32 C ATOM 1410 O ASN A 106 -2.406 1.602 -6.922 1.00 0.38 O ATOM 1411 CB ASN A 106 0.683 2.056 -8.119 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.242 2.361 -9.285 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.810 3.450 -9.374 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.395 1.406 -10.185 1.00 0.97 N ATOM 0 H ASN A 106 1.731 1.266 -6.015 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.387 3.066 -6.565 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.482 2.797 -8.088 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.154 1.086 -8.276 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -1.002 1.557 -10.991 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.094 0.518 -10.074 1.00 0.97 H new ATOM 1421 N THR A 107 -1.018 -0.168 -6.797 1.00 0.29 N ATOM 1422 CA THR A 107 -2.072 -1.175 -6.872 1.00 0.30 C ATOM 1423 C THR A 107 -3.124 -0.982 -5.776 1.00 0.26 C ATOM 1424 O THR A 107 -4.321 -1.117 -6.031 1.00 0.27 O ATOM 1425 CB THR A 107 -1.472 -2.589 -6.773 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.551 -2.796 -7.854 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.554 -3.662 -6.804 1.00 0.39 C ATOM 0 H THR A 107 -0.080 -0.556 -6.699 1.00 0.29 H new ATOM 0 HA THR A 107 -2.565 -1.056 -7.837 1.00 0.30 H new ATOM 0 HB THR A 107 -0.951 -2.669 -5.819 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.256 -2.261 -7.703 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.092 -4.647 -6.732 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.234 -3.518 -5.964 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.111 -3.590 -7.738 1.00 0.39 H new ATOM 1435 N MET A 108 -2.674 -0.666 -4.564 1.00 0.26 N ATOM 1436 CA MET A 108 -3.576 -0.408 -3.444 1.00 0.26 C ATOM 1437 C MET A 108 -4.603 0.673 -3.799 1.00 0.24 C ATOM 1438 O MET A 108 -5.761 0.604 -3.383 1.00 0.27 O ATOM 1439 CB MET A 108 -2.770 0.000 -2.200 1.00 0.32 C ATOM 1440 CG MET A 108 -2.801 1.493 -1.887 1.00 0.62 C ATOM 1441 SD MET A 108 -1.884 1.924 -0.397 1.00 0.88 S ATOM 1442 CE MET A 108 -2.870 3.288 0.209 1.00 0.83 C ATOM 0 H MET A 108 -1.684 -0.582 -4.332 1.00 0.26 H new ATOM 0 HA MET A 108 -4.121 -1.326 -3.225 1.00 0.26 H new ATOM 0 HB2 MET A 108 -3.154 -0.547 -1.339 1.00 0.32 H new ATOM 0 HB3 MET A 108 -1.733 -0.308 -2.337 1.00 0.32 H new ATOM 0 HG2 MET A 108 -2.388 2.044 -2.732 1.00 0.62 H new ATOM 0 HG3 MET A 108 -3.837 1.813 -1.774 1.00 0.62 H new ATOM 0 HE1 MET A 108 -2.247 3.948 0.813 1.00 0.83 H new ATOM 0 HE2 MET A 108 -3.277 3.845 -0.634 1.00 0.83 H new ATOM 0 HE3 MET A 108 -3.688 2.903 0.819 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.176 1.652 -4.592 1.00 0.22 N ATOM 1453 CA PHE A 109 -5.033 2.766 -4.964 1.00 0.23 C ATOM 1454 C PHE A 109 -5.995 2.360 -6.072 1.00 0.23 C ATOM 1455 O PHE A 109 -7.203 2.577 -5.964 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.190 3.965 -5.407 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.745 4.834 -4.266 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.673 5.401 -3.406 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.400 5.085 -4.053 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.266 6.198 -2.355 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.988 5.882 -3.002 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.921 6.439 -2.153 1.00 0.22 C ATOM 0 H PHE A 109 -3.237 1.693 -4.989 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.617 3.053 -4.089 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.312 3.604 -5.943 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.768 4.567 -6.109 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.726 5.217 -3.560 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.665 4.653 -4.716 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.999 6.633 -1.691 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.936 6.069 -2.846 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.601 7.063 -1.332 1.00 0.22 H new ATOM 1472 N THR A 110 -5.459 1.751 -7.125 1.00 0.22 N ATOM 1473 CA THR A 110 -6.274 1.309 -8.248 1.00 0.26 C ATOM 1474 C THR A 110 -7.343 0.325 -7.789 1.00 0.25 C ATOM 1475 O THR A 110 -8.494 0.405 -8.208 1.00 0.27 O ATOM 1476 CB THR A 110 -5.411 0.640 -9.330 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.032 0.686 -8.950 1.00 0.49 O ATOM 1478 CG2 THR A 110 -5.596 1.330 -10.669 1.00 0.66 C ATOM 0 H THR A 110 -4.463 1.553 -7.223 1.00 0.22 H new ATOM 0 HA THR A 110 -6.752 2.194 -8.668 1.00 0.26 H new ATOM 0 HB THR A 110 -5.727 -0.399 -9.428 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.487 0.257 -9.643 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.976 0.840 -11.420 1.00 0.66 H new ATOM 0 HG22 THR A 110 -6.643 1.270 -10.968 1.00 0.66 H new ATOM 0 HG23 THR A 110 -5.303 2.376 -10.583 1.00 0.66 H new ATOM 1486 N ASN A 111 -6.941 -0.594 -6.921 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.846 -1.587 -6.347 1.00 0.27 C ATOM 1488 C ASN A 111 -9.089 -0.918 -5.752 1.00 0.26 C ATOM 1489 O ASN A 111 -10.217 -1.342 -6.020 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.095 -2.409 -5.287 1.00 0.33 C ATOM 1491 CG ASN A 111 -7.954 -2.816 -4.106 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -8.941 -3.533 -4.256 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -7.572 -2.369 -2.919 1.00 1.61 N ATOM 0 H ASN A 111 -5.978 -0.674 -6.593 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.188 -2.257 -7.136 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.690 -3.306 -5.756 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -6.247 -1.828 -4.924 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -8.104 -2.618 -2.085 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -6.746 -1.776 -2.839 1.00 1.61 H new ATOM 1500 N CYS A 112 -8.881 0.141 -4.973 1.00 0.26 N ATOM 1501 CA CYS A 112 -9.980 0.891 -4.386 1.00 0.30 C ATOM 1502 C CYS A 112 -10.856 1.517 -5.472 1.00 0.31 C ATOM 1503 O CYS A 112 -12.083 1.442 -5.412 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.427 1.976 -3.455 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.617 3.262 -3.017 1.00 0.63 S ATOM 0 H CYS A 112 -7.955 0.498 -4.735 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.600 0.205 -3.809 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -9.068 1.504 -2.541 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.566 2.443 -3.933 1.00 0.36 H new ATOM 0 HG CYS A 112 -11.720 2.711 -2.607 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.217 2.114 -6.472 1.00 0.32 N ATOM 1512 CA TYR A 113 -10.933 2.800 -7.546 1.00 0.36 C ATOM 1513 C TYR A 113 -11.760 1.824 -8.385 1.00 0.41 C ATOM 1514 O TYR A 113 -12.833 2.170 -8.866 1.00 0.52 O ATOM 1515 CB TYR A 113 -9.947 3.546 -8.451 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.291 4.748 -7.801 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -10.020 5.590 -6.972 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -7.947 5.038 -8.010 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.431 6.688 -6.372 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.352 6.133 -7.414 1.00 0.65 C ATOM 1521 CZ TYR A 113 -8.073 6.953 -6.618 1.00 0.66 C ATOM 1522 OH TYR A 113 -7.502 8.043 -5.998 1.00 0.81 O ATOM 0 H TYR A 113 -9.201 2.138 -6.563 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.614 3.513 -7.081 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.170 2.852 -8.772 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.472 3.874 -9.348 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -11.065 5.384 -6.793 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.359 4.396 -8.649 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -10.006 7.332 -5.724 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.305 6.335 -7.585 1.00 0.65 H new ATOM 0 HH TYR A 113 -6.656 8.265 -6.440 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.251 0.610 -8.553 1.00 0.37 N ATOM 1533 CA ILE A 114 -11.902 -0.385 -9.400 1.00 0.43 C ATOM 1534 C ILE A 114 -13.055 -1.075 -8.676 1.00 0.47 C ATOM 1535 O ILE A 114 -14.177 -1.127 -9.186 1.00 0.55 O ATOM 1536 CB ILE A 114 -10.891 -1.454 -9.869 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.816 -0.820 -10.755 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.597 -2.581 -10.613 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.534 -1.624 -10.824 1.00 0.44 C ATOM 0 H ILE A 114 -10.388 0.289 -8.114 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.299 0.148 -10.264 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.411 -1.878 -8.987 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.213 -0.698 -11.763 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.589 0.178 -10.379 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.864 -3.321 -10.933 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.325 -3.053 -9.953 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -12.109 -2.176 -11.486 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.819 -1.114 -11.469 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.113 -1.724 -9.824 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.746 -2.614 -11.229 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.777 -1.608 -7.488 1.00 0.44 N ATOM 1552 CA TYR A 115 -13.768 -2.383 -6.747 1.00 0.51 C ATOM 1553 C TYR A 115 -14.948 -1.516 -6.337 1.00 0.52 C ATOM 1554 O TYR A 115 -16.093 -1.972 -6.323 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.134 -3.013 -5.503 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.116 -3.775 -4.638 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.550 -5.042 -5.005 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.607 -3.231 -3.456 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.441 -5.746 -4.220 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -15.500 -3.930 -2.665 1.00 1.03 C ATOM 1561 CZ TYR A 115 -15.924 -5.165 -3.045 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.803 -5.888 -2.270 1.00 1.22 O ATOM 0 H TYR A 115 -11.876 -1.517 -7.019 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.131 -3.173 -7.405 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.338 -3.689 -5.815 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.670 -2.228 -4.906 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -14.184 -5.484 -5.920 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -14.285 -2.246 -3.151 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -15.761 -6.735 -4.511 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -15.861 -3.495 -1.745 1.00 1.03 H new ATOM 0 HH TYR A 115 -17.055 -5.361 -1.483 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.667 -0.269 -6.016 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.693 0.631 -5.516 1.00 0.41 C ATOM 1574 C ASN A 116 -16.193 1.543 -6.629 1.00 0.45 C ATOM 1575 O ASN A 116 -15.807 1.393 -7.790 1.00 0.64 O ATOM 1576 CB ASN A 116 -15.153 1.469 -4.354 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.621 0.621 -3.215 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.380 -0.007 -2.475 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.306 0.602 -3.068 1.00 0.88 N ATOM 0 H ASN A 116 -13.738 0.146 -6.091 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.527 0.029 -5.155 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.358 2.119 -4.719 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.946 2.116 -3.979 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -12.884 0.052 -2.319 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.714 1.137 -3.703 1.00 0.88 H new ATOM 1586 N LYS A 117 -17.073 2.465 -6.275 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.569 3.451 -7.217 1.00 0.53 C ATOM 1588 C LYS A 117 -16.720 4.712 -7.126 1.00 0.52 C ATOM 1589 O LYS A 117 -16.178 5.013 -6.069 1.00 0.55 O ATOM 1590 CB LYS A 117 -19.034 3.785 -6.915 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.998 3.349 -8.005 1.00 1.20 C ATOM 1592 CD LYS A 117 -21.379 3.951 -7.801 1.00 1.82 C ATOM 1593 CE LYS A 117 -21.707 4.973 -8.879 1.00 2.62 C ATOM 1594 NZ LYS A 117 -22.313 4.341 -10.082 1.00 3.47 N ATOM 0 H LYS A 117 -17.460 2.550 -5.335 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.506 3.043 -8.226 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.320 3.308 -5.977 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.129 4.861 -6.767 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -19.609 3.650 -8.978 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -20.072 2.262 -8.013 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -22.127 3.159 -7.810 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -21.429 4.426 -6.821 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -22.394 5.717 -8.476 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -20.798 5.501 -9.166 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -22.521 5.073 -10.791 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -21.648 3.649 -10.483 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -23.195 3.859 -9.814 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.587 5.471 -8.223 1.00 0.59 N ATOM 1609 CA PRO A 118 -15.833 6.734 -8.218 1.00 0.68 C ATOM 1610 C PRO A 118 -16.454 7.771 -7.286 1.00 0.70 C ATOM 1611 O PRO A 118 -15.833 8.775 -6.942 1.00 0.81 O ATOM 1612 CB PRO A 118 -15.916 7.205 -9.670 1.00 0.79 C ATOM 1613 CG PRO A 118 -16.261 5.991 -10.456 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.126 5.162 -9.556 1.00 0.68 C ATOM 0 HA PRO A 118 -14.813 6.599 -7.859 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -16.673 7.980 -9.790 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -14.969 7.632 -10.000 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -16.788 6.254 -11.373 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -15.364 5.446 -10.749 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.178 5.434 -9.641 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -17.052 4.099 -9.788 1.00 0.68 H new ATOM 1622 N THR A 119 -17.692 7.518 -6.893 1.00 0.67 N ATOM 1623 CA THR A 119 -18.402 8.379 -5.964 1.00 0.77 C ATOM 1624 C THR A 119 -18.496 7.731 -4.581 1.00 0.69 C ATOM 1625 O THR A 119 -19.307 8.139 -3.747 1.00 0.78 O ATOM 1626 CB THR A 119 -19.819 8.672 -6.485 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.150 7.739 -7.524 1.00 0.98 O ATOM 1628 CG2 THR A 119 -19.920 10.095 -7.014 1.00 1.23 C ATOM 0 H THR A 119 -18.231 6.712 -7.209 1.00 0.67 H new ATOM 0 HA THR A 119 -17.844 9.312 -5.880 1.00 0.77 H new ATOM 0 HB THR A 119 -20.522 8.565 -5.659 1.00 0.97 H new ATOM 0 HG1 THR A 119 -21.054 7.925 -7.855 1.00 0.98 H new ATOM 0 HG21 THR A 119 -20.932 10.277 -7.377 1.00 1.23 H new ATOM 0 HG22 THR A 119 -19.689 10.798 -6.214 1.00 1.23 H new ATOM 0 HG23 THR A 119 -19.212 10.230 -7.831 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.669 6.719 -4.343 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.684 6.005 -3.072 1.00 0.59 C ATOM 1638 C ASP A 120 -16.925 6.783 -2.015 1.00 0.47 C ATOM 1639 O ASP A 120 -16.077 7.619 -2.332 1.00 0.39 O ATOM 1640 CB ASP A 120 -17.066 4.615 -3.213 1.00 0.63 C ATOM 1641 CG ASP A 120 -18.062 3.507 -2.943 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -18.763 3.580 -1.914 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -18.146 2.563 -3.756 1.00 1.19 O ATOM 0 H ASP A 120 -16.981 6.375 -5.013 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.725 5.899 -2.768 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -16.664 4.500 -4.220 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.228 4.522 -2.522 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.218 6.484 -0.762 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.601 7.183 0.358 1.00 0.51 C ATOM 1650 C ASP A 121 -15.120 6.853 0.446 1.00 0.39 C ATOM 1651 O ASP A 121 -14.282 7.745 0.586 1.00 0.39 O ATOM 1652 CB ASP A 121 -17.297 6.817 1.668 1.00 0.70 C ATOM 1653 CG ASP A 121 -18.437 7.754 2.002 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -18.302 8.974 1.772 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -19.478 7.274 2.502 1.00 1.44 O ATOM 0 H ASP A 121 -17.882 5.759 -0.491 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.710 8.254 0.190 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -17.677 5.798 1.601 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.569 6.833 2.479 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.800 5.567 0.345 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.413 5.120 0.397 1.00 0.27 C ATOM 1662 C ILE A 122 -12.617 5.697 -0.773 1.00 0.25 C ATOM 1663 O ILE A 122 -11.457 6.083 -0.618 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.307 3.574 0.402 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.848 3.137 0.236 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -14.181 2.959 -0.682 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -11.176 2.785 1.542 1.00 0.42 C ATOM 0 H ILE A 122 -15.481 4.817 0.227 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.989 5.487 1.332 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.669 3.214 1.365 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.808 2.274 -0.429 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.289 3.938 -0.248 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -14.086 1.874 -0.654 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.221 3.237 -0.512 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.863 3.326 -1.658 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -10.146 2.484 1.352 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.185 3.653 2.201 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.712 1.963 2.017 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.253 5.779 -1.936 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.612 6.336 -3.117 1.00 0.25 C ATOM 1681 C VAL A 123 -12.335 7.821 -2.916 1.00 0.24 C ATOM 1682 O VAL A 123 -11.262 8.319 -3.261 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.478 6.138 -4.380 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.216 7.240 -5.397 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.223 4.768 -4.989 1.00 0.32 C ATOM 0 H VAL A 123 -14.212 5.466 -2.084 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.671 5.804 -3.261 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.527 6.195 -4.088 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -13.838 7.078 -6.277 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.457 8.207 -4.956 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.165 7.225 -5.687 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -13.841 4.644 -5.878 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.172 4.682 -5.263 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.473 3.995 -4.263 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.305 8.517 -2.339 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.177 9.944 -2.083 1.00 0.31 C ATOM 1697 C LEU A 124 -11.994 10.200 -1.166 1.00 0.29 C ATOM 1698 O LEU A 124 -11.304 11.213 -1.283 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.460 10.491 -1.457 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.242 11.465 -2.337 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.733 11.372 -2.046 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.738 12.884 -2.127 1.00 0.49 C ATOM 0 H LEU A 124 -14.192 8.114 -2.038 1.00 0.27 H new ATOM 0 HA LEU A 124 -13.010 10.457 -3.030 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -15.109 9.653 -1.203 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -14.206 10.992 -0.523 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.085 11.194 -3.381 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.272 12.073 -2.683 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -17.080 10.359 -2.247 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.916 11.618 -1.000 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.303 13.568 -2.760 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.868 13.165 -1.082 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.681 12.937 -2.389 1.00 0.49 H new ATOM 1714 N MET A 125 -11.757 9.256 -0.267 1.00 0.25 N ATOM 1715 CA MET A 125 -10.623 9.332 0.634 1.00 0.26 C ATOM 1716 C MET A 125 -9.333 9.001 -0.103 1.00 0.24 C ATOM 1717 O MET A 125 -8.345 9.723 0.009 1.00 0.25 O ATOM 1718 CB MET A 125 -10.807 8.382 1.818 1.00 0.35 C ATOM 1719 CG MET A 125 -12.000 8.716 2.690 1.00 0.62 C ATOM 1720 SD MET A 125 -12.574 7.297 3.641 1.00 0.54 S ATOM 1721 CE MET A 125 -13.296 8.128 5.051 1.00 0.62 C ATOM 0 H MET A 125 -12.339 8.427 -0.144 1.00 0.25 H new ATOM 0 HA MET A 125 -10.560 10.352 1.013 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.917 7.365 1.442 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.905 8.400 2.430 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.733 9.523 3.372 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.813 9.083 2.064 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.523 7.397 5.827 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.592 8.864 5.440 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.214 8.630 4.746 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.358 7.912 -0.867 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.196 7.473 -1.634 1.00 0.27 C ATOM 1733 C ALA A 126 -7.695 8.574 -2.562 1.00 0.25 C ATOM 1734 O ALA A 126 -6.490 8.751 -2.736 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.534 6.222 -2.433 1.00 0.31 C ATOM 0 H ALA A 126 -10.177 7.313 -0.971 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.397 7.240 -0.930 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.659 5.905 -3.000 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.833 5.425 -1.752 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.352 6.439 -3.119 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.630 9.318 -3.139 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.298 10.430 -4.021 1.00 0.30 C ATOM 1743 C GLN A 127 -7.448 11.471 -3.295 1.00 0.28 C ATOM 1744 O GLN A 127 -6.490 12.004 -3.856 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.576 11.079 -4.552 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.876 10.735 -6.001 1.00 0.86 C ATOM 1747 CD GLN A 127 -11.361 10.601 -6.287 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -11.762 9.901 -7.218 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -12.187 11.278 -5.503 1.00 1.62 N ATOM 0 H GLN A 127 -9.631 9.170 -3.011 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.719 10.038 -4.857 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.416 10.767 -3.932 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.492 12.161 -4.454 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.456 11.507 -6.646 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -9.377 9.800 -6.257 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -11.816 11.847 -4.742 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -13.194 11.230 -5.660 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.801 11.752 -2.045 1.00 0.27 N ATOM 1759 CA ALA A 128 -7.061 12.709 -1.233 1.00 0.28 C ATOM 1760 C ALA A 128 -5.759 12.095 -0.734 1.00 0.24 C ATOM 1761 O ALA A 128 -4.721 12.757 -0.689 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.915 13.176 -0.063 1.00 0.32 C ATOM 0 H ALA A 128 -8.599 11.328 -1.571 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.815 13.573 -1.851 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.351 13.891 0.536 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.820 13.653 -0.440 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -8.187 12.319 0.554 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.829 10.819 -0.371 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.667 10.058 0.087 1.00 0.17 C ATOM 1770 C LEU A 129 -3.571 10.070 -0.975 1.00 0.17 C ATOM 1771 O LEU A 129 -2.386 10.232 -0.675 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.078 8.607 0.362 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.526 8.268 1.791 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.340 9.395 2.399 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.329 6.978 1.786 1.00 0.33 C ATOM 0 H LEU A 129 -6.695 10.280 -0.385 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.288 10.518 1.000 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.891 8.351 -0.318 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.236 7.963 0.109 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.635 8.136 2.405 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.641 9.122 3.410 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.737 10.302 2.432 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.228 9.571 1.792 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.644 6.742 2.802 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.207 7.099 1.152 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.712 6.167 1.400 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.990 9.911 -2.223 1.00 0.19 N ATOM 1788 CA GLU A 130 -3.078 9.826 -3.356 1.00 0.22 C ATOM 1789 C GLU A 130 -2.245 11.096 -3.520 1.00 0.20 C ATOM 1790 O GLU A 130 -1.133 11.048 -4.044 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.877 9.573 -4.634 1.00 0.34 C ATOM 1792 CG GLU A 130 -3.269 8.529 -5.554 1.00 0.76 C ATOM 1793 CD GLU A 130 -4.102 8.298 -6.801 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -5.113 9.011 -6.984 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -3.755 7.401 -7.602 1.00 1.47 O ATOM 0 H GLU A 130 -4.975 9.837 -2.479 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.391 9.001 -3.167 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.885 9.259 -4.362 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -3.972 10.511 -5.181 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -2.267 8.844 -5.844 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -3.163 7.589 -5.012 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.776 12.221 -3.049 1.00 0.24 N ATOM 1803 CA LYS A 131 -2.123 13.507 -3.229 1.00 0.28 C ATOM 1804 C LYS A 131 -0.777 13.519 -2.528 1.00 0.25 C ATOM 1805 O LYS A 131 0.229 13.929 -3.105 1.00 0.28 O ATOM 1806 CB LYS A 131 -3.008 14.631 -2.689 1.00 0.37 C ATOM 1807 CG LYS A 131 -4.293 14.827 -3.475 1.00 0.80 C ATOM 1808 CD LYS A 131 -5.173 15.895 -2.845 1.00 1.18 C ATOM 1809 CE LYS A 131 -6.182 16.445 -3.840 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.518 17.066 -5.015 1.00 2.24 N ATOM 0 H LYS A 131 -3.658 12.264 -2.539 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.963 13.668 -4.295 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.257 14.418 -1.650 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.442 15.563 -2.697 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -4.054 15.109 -4.500 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -4.839 13.885 -3.522 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -5.698 15.475 -1.987 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -4.550 16.707 -2.471 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -6.837 15.641 -4.176 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -6.813 17.184 -3.347 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -6.145 17.786 -5.428 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -4.628 17.513 -4.715 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -5.315 16.334 -5.726 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.755 13.031 -1.294 1.00 0.28 N ATOM 1825 CA ILE A 132 0.475 12.999 -0.522 1.00 0.33 C ATOM 1826 C ILE A 132 1.371 11.852 -0.974 1.00 0.26 C ATOM 1827 O ILE A 132 2.582 11.884 -0.757 1.00 0.29 O ATOM 1828 CB ILE A 132 0.230 12.884 0.998 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.232 12.561 1.302 1.00 0.46 C ATOM 1830 CG2 ILE A 132 0.644 14.175 1.689 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.464 12.127 2.732 1.00 0.59 C ATOM 0 H ILE A 132 -1.571 12.655 -0.811 1.00 0.28 H new ATOM 0 HA ILE A 132 0.970 13.953 -0.707 1.00 0.33 H new ATOM 0 HB ILE A 132 0.837 12.063 1.380 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -1.842 13.440 1.093 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -1.570 11.771 0.631 1.00 0.46 H new ATOM 0 HG21 ILE A 132 0.468 14.086 2.761 1.00 1.23 H new ATOM 0 HG22 ILE A 132 1.703 14.361 1.509 1.00 1.23 H new ATOM 0 HG23 ILE A 132 0.058 15.004 1.293 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.522 11.913 2.880 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -0.880 11.230 2.939 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -1.157 12.924 3.409 1.00 0.59 H new ATOM 1843 N PHE A 133 0.777 10.845 -1.607 1.00 0.25 N ATOM 1844 CA PHE A 133 1.541 9.715 -2.123 1.00 0.28 C ATOM 1845 C PHE A 133 2.512 10.176 -3.207 1.00 0.26 C ATOM 1846 O PHE A 133 3.726 10.072 -3.038 1.00 0.28 O ATOM 1847 CB PHE A 133 0.610 8.633 -2.677 1.00 0.34 C ATOM 1848 CG PHE A 133 1.348 7.537 -3.393 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.404 6.881 -2.782 1.00 0.36 C ATOM 1850 CD2 PHE A 133 0.998 7.176 -4.685 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.098 5.890 -3.445 1.00 0.39 C ATOM 1852 CE2 PHE A 133 1.686 6.182 -5.351 1.00 0.46 C ATOM 1853 CZ PHE A 133 2.739 5.540 -4.728 1.00 0.44 C ATOM 0 H PHE A 133 -0.228 10.789 -1.774 1.00 0.25 H new ATOM 0 HA PHE A 133 2.111 9.289 -1.297 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.035 8.202 -1.858 1.00 0.34 H new ATOM 0 HB3 PHE A 133 -0.104 9.091 -3.362 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.687 7.148 -1.775 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.178 7.678 -5.176 1.00 0.42 H new ATOM 0 HE1 PHE A 133 3.922 5.389 -2.959 1.00 0.39 H new ATOM 0 HE2 PHE A 133 1.402 5.907 -6.356 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.281 4.763 -5.247 1.00 0.44 H new ATOM 1863 N LEU A 134 1.981 10.719 -4.303 1.00 0.27 N ATOM 1864 CA LEU A 134 2.821 11.160 -5.413 1.00 0.34 C ATOM 1865 C LEU A 134 3.691 12.333 -4.981 1.00 0.34 C ATOM 1866 O LEU A 134 4.777 12.555 -5.523 1.00 0.43 O ATOM 1867 CB LEU A 134 1.975 11.542 -6.635 1.00 0.42 C ATOM 1868 CG LEU A 134 0.719 12.368 -6.348 1.00 0.47 C ATOM 1869 CD1 LEU A 134 0.947 13.830 -6.709 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.468 11.813 -7.122 1.00 0.59 C ATOM 0 H LEU A 134 0.981 10.863 -4.444 1.00 0.27 H new ATOM 0 HA LEU A 134 3.465 10.329 -5.700 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.604 12.102 -7.327 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.675 10.627 -7.146 1.00 0.42 H new ATOM 0 HG LEU A 134 0.501 12.305 -5.282 1.00 0.47 H new ATOM 0 HD11 LEU A 134 0.043 14.402 -6.498 1.00 0.64 H new ATOM 0 HD12 LEU A 134 1.773 14.226 -6.118 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.188 13.910 -7.769 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -1.354 12.411 -6.908 1.00 0.59 H new ATOM 0 HD22 LEU A 134 -0.255 11.850 -8.190 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.646 10.780 -6.823 1.00 0.59 H new ATOM 1882 N GLN A 135 3.191 13.076 -4.003 1.00 0.29 N ATOM 1883 CA GLN A 135 3.926 14.159 -3.382 1.00 0.35 C ATOM 1884 C GLN A 135 5.225 13.652 -2.770 1.00 0.36 C ATOM 1885 O GLN A 135 6.309 14.120 -3.110 1.00 0.55 O ATOM 1886 CB GLN A 135 3.063 14.785 -2.294 1.00 0.37 C ATOM 1887 CG GLN A 135 2.964 16.289 -2.384 1.00 0.51 C ATOM 1888 CD GLN A 135 3.245 16.961 -1.056 1.00 1.06 C ATOM 1889 OE1 GLN A 135 3.249 16.311 -0.008 1.00 1.43 O ATOM 1890 NE2 GLN A 135 3.489 18.262 -1.083 1.00 1.61 N ATOM 0 H GLN A 135 2.256 12.940 -3.618 1.00 0.29 H new ATOM 0 HA GLN A 135 4.170 14.900 -4.143 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.061 14.360 -2.349 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.470 14.515 -1.320 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.670 16.654 -3.130 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.967 16.566 -2.726 1.00 0.51 H new ATOM 0 HE21 GLN A 135 3.477 18.765 -1.970 1.00 1.61 H new ATOM 0 HE22 GLN A 135 3.689 18.761 -0.216 1.00 1.61 H new ATOM 1899 N LYS A 136 5.104 12.680 -1.876 1.00 0.25 N ATOM 1900 CA LYS A 136 6.257 12.133 -1.176 1.00 0.26 C ATOM 1901 C LYS A 136 7.178 11.394 -2.141 1.00 0.23 C ATOM 1902 O LYS A 136 8.392 11.347 -1.945 1.00 0.25 O ATOM 1903 CB LYS A 136 5.801 11.199 -0.057 1.00 0.32 C ATOM 1904 CG LYS A 136 5.822 11.850 1.316 1.00 0.54 C ATOM 1905 CD LYS A 136 4.699 12.863 1.470 1.00 0.50 C ATOM 1906 CE LYS A 136 5.095 14.003 2.391 1.00 0.63 C ATOM 1907 NZ LYS A 136 5.177 15.302 1.672 1.00 1.52 N ATOM 0 H LYS A 136 4.214 12.253 -1.618 1.00 0.25 H new ATOM 0 HA LYS A 136 6.816 12.960 -0.738 1.00 0.26 H new ATOM 0 HB2 LYS A 136 4.790 10.853 -0.272 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.443 10.319 -0.044 1.00 0.32 H new ATOM 0 HG2 LYS A 136 5.729 11.083 2.085 1.00 0.54 H new ATOM 0 HG3 LYS A 136 6.782 12.343 1.471 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.432 13.262 0.491 1.00 0.50 H new ATOM 0 HD3 LYS A 136 3.813 12.367 1.865 1.00 0.50 H new ATOM 0 HE2 LYS A 136 4.370 14.083 3.201 1.00 0.63 H new ATOM 0 HE3 LYS A 136 6.059 13.781 2.848 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 5.180 16.081 2.361 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 6.052 15.333 1.111 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 4.357 15.402 1.041 1.00 1.52 H new ATOM 1921 N VAL A 137 6.593 10.825 -3.188 1.00 0.23 N ATOM 1922 CA VAL A 137 7.367 10.158 -4.224 1.00 0.25 C ATOM 1923 C VAL A 137 8.217 11.174 -4.985 1.00 0.30 C ATOM 1924 O VAL A 137 9.347 10.889 -5.378 1.00 0.33 O ATOM 1925 CB VAL A 137 6.455 9.398 -5.214 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.265 8.815 -6.360 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.694 8.294 -4.498 1.00 0.33 C ATOM 0 H VAL A 137 5.585 10.813 -3.341 1.00 0.23 H new ATOM 0 HA VAL A 137 8.016 9.432 -3.734 1.00 0.25 H new ATOM 0 HB VAL A 137 5.739 10.109 -5.625 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.601 8.285 -7.043 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.769 9.620 -6.896 1.00 0.35 H new ATOM 0 HG13 VAL A 137 8.007 8.121 -5.965 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.057 7.770 -5.211 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.401 7.591 -4.058 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.077 8.728 -3.711 1.00 0.33 H new ATOM 1937 N ALA A 138 7.680 12.376 -5.155 1.00 0.34 N ATOM 1938 CA ALA A 138 8.389 13.437 -5.852 1.00 0.43 C ATOM 1939 C ALA A 138 9.558 13.955 -5.017 1.00 0.43 C ATOM 1940 O ALA A 138 10.440 14.647 -5.525 1.00 0.50 O ATOM 1941 CB ALA A 138 7.438 14.571 -6.205 1.00 0.50 C ATOM 0 H ALA A 138 6.754 12.639 -4.818 1.00 0.34 H new ATOM 0 HA ALA A 138 8.793 13.024 -6.776 1.00 0.43 H new ATOM 0 HB1 ALA A 138 7.986 15.356 -6.726 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.644 14.193 -6.850 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.002 14.977 -5.293 1.00 0.50 H new ATOM 1947 N GLN A 139 9.559 13.622 -3.734 1.00 0.39 N ATOM 1948 CA GLN A 139 10.642 14.015 -2.846 1.00 0.43 C ATOM 1949 C GLN A 139 11.636 12.871 -2.673 1.00 0.40 C ATOM 1950 O GLN A 139 12.685 13.035 -2.046 1.00 0.45 O ATOM 1951 CB GLN A 139 10.094 14.437 -1.484 1.00 0.45 C ATOM 1952 CG GLN A 139 8.770 15.175 -1.561 1.00 0.54 C ATOM 1953 CD GLN A 139 8.283 15.652 -0.207 1.00 1.08 C ATOM 1954 OE1 GLN A 139 7.652 14.903 0.537 1.00 1.76 O ATOM 1955 NE2 GLN A 139 8.565 16.903 0.120 1.00 1.56 N ATOM 0 H GLN A 139 8.821 13.080 -3.285 1.00 0.39 H new ATOM 0 HA GLN A 139 11.157 14.864 -3.296 1.00 0.43 H new ATOM 0 HB2 GLN A 139 9.970 13.551 -0.862 1.00 0.45 H new ATOM 0 HB3 GLN A 139 10.827 15.074 -0.989 1.00 0.45 H new ATOM 0 HG2 GLN A 139 8.875 16.032 -2.227 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.019 14.519 -2.002 1.00 0.54 H new ATOM 0 HE21 GLN A 139 9.091 17.493 -0.525 1.00 1.56 H new ATOM 0 HE22 GLN A 139 8.256 17.278 1.017 1.00 1.56 H new ATOM 1964 N MET A 140 11.295 11.713 -3.225 1.00 0.35 N ATOM 1965 CA MET A 140 12.148 10.532 -3.138 1.00 0.35 C ATOM 1966 C MET A 140 13.445 10.754 -3.907 1.00 0.40 C ATOM 1967 O MET A 140 13.505 11.626 -4.774 1.00 0.48 O ATOM 1968 CB MET A 140 11.415 9.314 -3.710 1.00 0.38 C ATOM 1969 CG MET A 140 10.583 8.556 -2.690 1.00 0.66 C ATOM 1970 SD MET A 140 11.141 6.857 -2.464 1.00 0.86 S ATOM 1971 CE MET A 140 11.046 6.258 -4.147 1.00 0.67 C ATOM 0 H MET A 140 10.428 11.565 -3.741 1.00 0.35 H new ATOM 0 HA MET A 140 12.385 10.353 -2.089 1.00 0.35 H new ATOM 0 HB2 MET A 140 10.765 9.642 -4.521 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.147 8.633 -4.144 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.623 9.078 -1.734 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.540 8.553 -3.008 1.00 0.66 H new ATOM 0 HE1 MET A 140 10.467 5.335 -4.172 1.00 0.67 H new ATOM 0 HE2 MET A 140 10.562 7.007 -4.773 1.00 0.67 H new ATOM 0 HE3 MET A 140 12.051 6.067 -4.522 1.00 0.67 H new ATOM 1981 N PRO A 141 14.508 9.989 -3.607 1.00 0.42 N ATOM 1982 CA PRO A 141 15.741 10.067 -4.375 1.00 0.52 C ATOM 1983 C PRO A 141 15.570 9.381 -5.722 1.00 0.61 C ATOM 1984 O PRO A 141 15.322 8.178 -5.780 1.00 0.67 O ATOM 1985 CB PRO A 141 16.762 9.326 -3.505 1.00 0.55 C ATOM 1986 CG PRO A 141 15.966 8.375 -2.682 1.00 0.53 C ATOM 1987 CD PRO A 141 14.591 8.986 -2.522 1.00 0.46 C ATOM 0 HA PRO A 141 16.045 11.091 -4.593 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.492 8.798 -4.119 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.318 10.020 -2.875 1.00 0.55 H new ATOM 0 HG2 PRO A 141 15.903 7.401 -3.168 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.435 8.217 -1.711 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.808 8.233 -2.615 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.473 9.449 -1.542 1.00 0.46 H new ATOM 1995 N GLN A 142 15.689 10.145 -6.802 1.00 0.76 N ATOM 1996 CA GLN A 142 15.512 9.602 -8.149 1.00 0.94 C ATOM 1997 C GLN A 142 16.686 8.705 -8.518 1.00 0.93 C ATOM 1998 O GLN A 142 16.716 8.090 -9.585 1.00 1.17 O ATOM 1999 CB GLN A 142 15.365 10.733 -9.169 1.00 1.21 C ATOM 2000 CG GLN A 142 13.929 11.180 -9.381 1.00 1.60 C ATOM 2001 CD GLN A 142 13.326 11.795 -8.135 1.00 2.34 C ATOM 2002 OE1 GLN A 142 13.675 12.910 -7.744 1.00 2.87 O ATOM 2003 NE2 GLN A 142 12.422 11.075 -7.496 1.00 2.91 N ATOM 0 H GLN A 142 15.907 11.141 -6.774 1.00 0.76 H new ATOM 0 HA GLN A 142 14.600 9.005 -8.162 1.00 0.94 H new ATOM 0 HB2 GLN A 142 15.957 11.587 -8.840 1.00 1.21 H new ATOM 0 HB3 GLN A 142 15.779 10.406 -10.123 1.00 1.21 H new ATOM 0 HG2 GLN A 142 13.893 11.905 -10.194 1.00 1.60 H new ATOM 0 HG3 GLN A 142 13.327 10.325 -9.689 1.00 1.60 H new ATOM 0 HE21 GLN A 142 12.159 10.156 -7.851 1.00 2.91 H new ATOM 0 HE22 GLN A 142 11.987 11.438 -6.648 1.00 2.91 H new ATOM 2012 N GLU A 143 17.637 8.637 -7.607 1.00 0.80 N ATOM 2013 CA GLU A 143 18.823 7.849 -7.755 1.00 0.91 C ATOM 2014 C GLU A 143 18.638 6.533 -7.004 1.00 0.87 C ATOM 2015 O GLU A 143 17.615 5.866 -7.164 1.00 1.20 O ATOM 2016 CB GLU A 143 19.978 8.651 -7.164 1.00 1.04 C ATOM 2017 CG GLU A 143 19.722 10.152 -7.151 1.00 1.22 C ATOM 2018 CD GLU A 143 20.274 10.861 -8.364 1.00 1.94 C ATOM 2019 OE1 GLU A 143 21.490 11.142 -8.389 1.00 2.30 O ATOM 2020 OE2 GLU A 143 19.498 11.130 -9.302 1.00 2.70 O ATOM 0 H GLU A 143 17.595 9.145 -6.724 1.00 0.80 H new ATOM 0 HA GLU A 143 19.028 7.621 -8.801 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.163 8.312 -6.145 1.00 1.04 H new ATOM 0 HB3 GLU A 143 20.883 8.448 -7.737 1.00 1.04 H new ATOM 0 HG2 GLU A 143 18.648 10.330 -7.092 1.00 1.22 H new ATOM 0 HG3 GLU A 143 20.167 10.582 -6.253 1.00 1.22 H new ATOM 2027 N GLU A 144 19.627 6.181 -6.189 1.00 0.77 N ATOM 2028 CA GLU A 144 19.523 5.079 -5.237 1.00 0.77 C ATOM 2029 C GLU A 144 20.846 4.938 -4.491 1.00 0.82 C ATOM 2030 O GLU A 144 21.919 4.947 -5.100 1.00 1.16 O ATOM 2031 CB GLU A 144 19.165 3.754 -5.927 1.00 0.82 C ATOM 2032 CG GLU A 144 19.280 2.533 -5.021 1.00 1.04 C ATOM 2033 CD GLU A 144 18.276 2.531 -3.879 1.00 1.58 C ATOM 2034 OE1 GLU A 144 18.327 3.461 -3.040 1.00 2.34 O ATOM 2035 OE2 GLU A 144 17.422 1.617 -3.823 1.00 1.87 O ATOM 0 H GLU A 144 20.530 6.655 -6.170 1.00 0.77 H new ATOM 0 HA GLU A 144 18.718 5.307 -4.539 1.00 0.77 H new ATOM 0 HB2 GLU A 144 18.145 3.818 -6.306 1.00 0.82 H new ATOM 0 HB3 GLU A 144 19.818 3.617 -6.789 1.00 0.82 H new ATOM 0 HG2 GLU A 144 19.141 1.632 -5.619 1.00 1.04 H new ATOM 0 HG3 GLU A 144 20.288 2.490 -4.609 1.00 1.04 H new ATOM 2042 N VAL A 145 20.768 4.825 -3.176 1.00 0.63 N ATOM 2043 CA VAL A 145 21.954 4.695 -2.343 1.00 0.68 C ATOM 2044 C VAL A 145 21.782 3.544 -1.364 1.00 0.61 C ATOM 2045 O VAL A 145 20.920 3.592 -0.495 1.00 0.61 O ATOM 2046 CB VAL A 145 22.250 5.986 -1.542 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.707 6.024 -1.112 1.00 0.99 C ATOM 2048 CG2 VAL A 145 21.901 7.230 -2.348 1.00 0.88 C ATOM 0 H VAL A 145 19.889 4.821 -2.658 1.00 0.63 H new ATOM 0 HA VAL A 145 22.793 4.505 -3.013 1.00 0.68 H new ATOM 0 HB VAL A 145 21.622 5.977 -0.651 1.00 0.78 H new ATOM 0 HG11 VAL A 145 23.897 6.939 -0.550 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.923 5.160 -0.483 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.347 6.000 -1.994 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.120 8.120 -1.758 1.00 0.88 H new ATOM 0 HG22 VAL A 145 22.492 7.248 -3.264 1.00 0.88 H new ATOM 0 HG23 VAL A 145 20.841 7.214 -2.600 1.00 0.88 H new ATOM 2058 N GLU A 146 22.586 2.506 -1.511 1.00 0.66 N ATOM 2059 CA GLU A 146 22.510 1.361 -0.618 1.00 0.68 C ATOM 2060 C GLU A 146 23.152 1.695 0.722 1.00 0.72 C ATOM 2061 O GLU A 146 24.244 2.271 0.771 1.00 0.75 O ATOM 2062 CB GLU A 146 23.195 0.148 -1.241 1.00 0.79 C ATOM 2063 CG GLU A 146 22.665 -1.176 -0.724 1.00 1.00 C ATOM 2064 CD GLU A 146 23.341 -2.367 -1.372 1.00 1.10 C ATOM 2065 OE1 GLU A 146 24.586 -2.450 -1.328 1.00 1.53 O ATOM 2066 OE2 GLU A 146 22.628 -3.229 -1.925 1.00 1.24 O ATOM 0 H GLU A 146 23.298 2.431 -2.238 1.00 0.66 H new ATOM 0 HA GLU A 146 21.459 1.120 -0.456 1.00 0.68 H new ATOM 0 HB2 GLU A 146 23.068 0.184 -2.323 1.00 0.79 H new ATOM 0 HB3 GLU A 146 24.266 0.204 -1.044 1.00 0.79 H new ATOM 0 HG2 GLU A 146 22.809 -1.224 0.355 1.00 1.00 H new ATOM 0 HG3 GLU A 146 21.591 -1.229 -0.905 1.00 1.00 H new ATOM 2073 N LEU A 147 22.477 1.340 1.806 1.00 0.76 N ATOM 2074 CA LEU A 147 22.984 1.623 3.135 1.00 0.86 C ATOM 2075 C LEU A 147 23.474 0.342 3.799 1.00 1.01 C ATOM 2076 O LEU A 147 23.302 0.201 5.028 1.00 1.57 O ATOM 2077 CB LEU A 147 21.917 2.270 4.015 1.00 0.86 C ATOM 2078 CG LEU A 147 21.036 3.307 3.331 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.726 3.451 4.090 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.758 4.643 3.237 1.00 0.82 C ATOM 2081 OXT LEU A 147 23.996 -0.535 3.082 1.00 1.46 O ATOM 0 H LEU A 147 21.579 0.857 1.788 1.00 0.76 H new ATOM 0 HA LEU A 147 23.814 2.322 3.026 1.00 0.86 H new ATOM 0 HB2 LEU A 147 21.277 1.484 4.415 1.00 0.86 H new ATOM 0 HB3 LEU A 147 22.410 2.743 4.864 1.00 0.86 H new ATOM 0 HG LEU A 147 20.817 2.973 2.317 1.00 0.76 H new ATOM 0 HD11 LEU A 147 19.099 4.194 3.597 1.00 0.80 H new ATOM 0 HD12 LEU A 147 19.208 2.492 4.106 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.931 3.770 5.112 1.00 0.80 H new ATOM 0 HD21 LEU A 147 21.113 5.371 2.745 1.00 0.82 H new ATOM 0 HD22 LEU A 147 22.005 4.995 4.239 1.00 0.82 H new ATOM 0 HD23 LEU A 147 22.674 4.522 2.659 1.00 0.82 H new