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= 0.607 K(o=1.6,f=-3.8!) USER MOD Set 1.2: A 136 LYS NZ :NH3+ -176:sc= 0.988 (180deg=0) USER MOD Set 2.1: A 113 TYR OH : rot 177:sc= 1.31 USER MOD Set 2.2: A 127 GLN : amide:sc= -0.0204 X(o=1.3,f=1.2) USER MOD Set 3.1: A 38 GLN : amide:sc= 1.58 K(o=2.9,f=-0.53) USER MOD Set 3.2: A 99 SER OG : rot -77:sc= 1.33 USER MOD Set 4.1: A 95 TYR OH : rot 148:sc= 2.33 USER MOD Set 4.2: A 101 CYS SG : rot 48:sc= 0.855 USER MOD Set 5.1: A 31 LYS NZ :NH3+ 153:sc= -0.14 (180deg=-0.638) USER MOD Set 5.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 27 SER OG : rot 33:sc= 1.13 USER MOD Set 6.2: A 92 ASN : amide:sc= 0.0655 X(o=1.2,f=1.2) USER MOD Set 7.1: A 73 TYR OH : rot -90:sc= 1.14 USER MOD Set 7.2: A 111 ASN : amide:sc= 0.335 K(o=1.5,f=0.49!) USER MOD Set 8.1: A 61 GLN : amide:sc= 1.05 K(o=2.3,f=-5.3) USER MOD Set 8.2: A 67 LYS NZ :NH3+ -166:sc= 1.26 (180deg=0) USER MOD Set 9.1: A 40 GLN : amide:sc= 1.14 K(o=0.43,f=-1.7) USER MOD Set 9.2: A 43 GLN : amide:sc= -1.04 K(o=0.43,f=-2.6!) USER MOD Set 9.3: A 44 ASN : amide:sc= 0.331 X(o=0.43,f=0.097) USER MOD Set10.1: A 42 MET CE :methyl 139:sc= -2.79! (180deg=-8.32!) USER MOD Set10.2: A 102 MET CE :methyl 152:sc= -4.73! (180deg=-4.32!) USER MOD Set10.3: A 140 MET CE :methyl 148:sc= -0.0468 (180deg=-0.258) USER MOD Single : A 28 ASN : amide:sc= -0.489 K(o=-0.49,f=-8.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00206 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -129:sc= 0.496 USER MOD Single : A 37 ASN : amide:sc= -0.263 K(o=-0.26,f=-3.1!) USER MOD Single : A 41 TYR OH : rot 107:sc= 1.14 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 103:sc= 1.22 USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= -0.0344 (180deg=-0.259) USER MOD Single : A 53 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-5.8!) USER MOD Single : A 54 GLN : amide:sc= -0.712 X(o=-0.71,f=-0.58) USER MOD Single : A 60 TYR OH : rot -40:sc= 1.26 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HE2:sc= -1.35 K(o=-1.4,f=-3.6!) USER MOD Single : A 75 LYS NZ :NH3+ -131:sc= 1.21 (180deg=0.444) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0875 K(o=-0.088,f=-0.76) USER MOD Single : A 81 MET CE :methyl 165:sc= -0.0145 (180deg=-0.324) USER MOD Single : A 83 MET CE :methyl -144:sc= -0.156 (180deg=-1.99!) USER MOD Single : A 85 THR OG1 : rot -114:sc= 1.88 USER MOD Single : A 87 LYS NZ :NH3+ -157:sc= 1.28 (180deg=0.356) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.608 K(o=0.61,f=-1.4) USER MOD Single : A 97 SER OG : rot -101:sc= 1.27 USER MOD Single : A 103 GLN : amide:sc= -2.01! K(o=-2!,f=-0.32) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 58:sc= 1.22 USER MOD Single : A 108 MET CE :methyl -174:sc= -0.132 (180deg=-0.138) USER MOD Single : A 110 THR OG1 : rot -64:sc= 0.104 USER MOD Single : A 112 CYS SG : rot 60:sc= -1.91 USER MOD Single : A 115 TYR OH : rot 91:sc= 0.166 USER MOD Single : A 116 ASN : amide:sc= 0.824 K(o=0.82,f=-0.31) USER MOD Single : A 117 LYS NZ :NH3+ -147:sc= 1.25 (180deg=1.09) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl 175:sc= -0.0612 (180deg=-0.0993) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 26 5.883 -12.760 1.623 1.00 0.93 N ATOM 69 CA VAL A 26 6.395 -11.679 2.446 1.00 0.84 C ATOM 70 C VAL A 26 7.921 -11.771 2.511 1.00 0.83 C ATOM 71 O VAL A 26 8.596 -10.918 3.091 1.00 0.85 O ATOM 72 CB VAL A 26 5.772 -11.724 3.860 1.00 0.83 C ATOM 73 CG1 VAL A 26 6.428 -12.791 4.727 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.839 -10.356 4.525 1.00 0.83 C ATOM 0 HA VAL A 26 6.118 -10.724 1.999 1.00 0.84 H new ATOM 0 HB VAL A 26 4.722 -11.996 3.751 1.00 0.83 H new ATOM 0 HG11 VAL A 26 5.965 -12.794 5.714 1.00 0.93 H new ATOM 0 HG12 VAL A 26 6.298 -13.768 4.262 1.00 0.93 H new ATOM 0 HG13 VAL A 26 7.492 -12.576 4.826 1.00 0.93 H new ATOM 0 HG21 VAL A 26 5.395 -10.412 5.519 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.880 -10.043 4.610 1.00 0.83 H new ATOM 0 HG23 VAL A 26 5.291 -9.632 3.923 1.00 0.83 H new ATOM 84 N SER A 27 8.443 -12.816 1.873 1.00 0.91 N ATOM 85 CA SER A 27 9.871 -13.070 1.785 1.00 1.00 C ATOM 86 C SER A 27 10.102 -14.194 0.780 1.00 1.07 C ATOM 87 O SER A 27 9.290 -15.115 0.685 1.00 1.19 O ATOM 88 CB SER A 27 10.444 -13.454 3.153 1.00 1.15 C ATOM 89 OG SER A 27 10.789 -12.301 3.902 1.00 1.61 O ATOM 0 H SER A 27 7.875 -13.517 1.398 1.00 0.91 H new ATOM 0 HA SER A 27 10.381 -12.164 1.457 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.713 -14.045 3.705 1.00 1.15 H new ATOM 0 HB3 SER A 27 11.325 -14.082 3.019 1.00 1.15 H new ATOM 0 HG SER A 27 10.172 -11.572 3.682 1.00 1.61 H new ATOM 95 N ASN A 28 11.178 -14.104 0.015 1.00 1.07 N ATOM 96 CA ASN A 28 11.480 -15.113 -0.998 1.00 1.18 C ATOM 97 C ASN A 28 12.987 -15.200 -1.235 1.00 1.23 C ATOM 98 O ASN A 28 13.678 -14.189 -1.226 1.00 1.12 O ATOM 99 CB ASN A 28 10.748 -14.782 -2.308 1.00 1.19 C ATOM 100 CG ASN A 28 10.821 -15.903 -3.331 1.00 1.39 C ATOM 101 OD1 ASN A 28 11.805 -16.038 -4.053 1.00 1.60 O ATOM 102 ND2 ASN A 28 9.775 -16.708 -3.407 1.00 1.48 N ATOM 0 H ASN A 28 11.858 -13.346 0.073 1.00 1.07 H new ATOM 0 HA ASN A 28 11.134 -16.082 -0.639 1.00 1.18 H new ATOM 0 HB2 ASN A 28 9.702 -14.566 -2.088 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.177 -13.877 -2.738 1.00 1.19 H new ATOM 0 HD21 ASN A 28 9.768 -17.472 -4.082 1.00 1.48 H new ATOM 0 HD22 ASN A 28 8.975 -16.565 -2.790 1.00 1.48 H new ATOM 109 N PRO A 29 13.520 -16.420 -1.411 1.00 1.46 N ATOM 110 CA PRO A 29 14.950 -16.643 -1.698 1.00 1.60 C ATOM 111 C PRO A 29 15.363 -16.198 -3.105 1.00 1.54 C ATOM 112 O PRO A 29 16.396 -15.548 -3.285 1.00 1.54 O ATOM 113 CB PRO A 29 15.086 -18.161 -1.571 1.00 1.87 C ATOM 114 CG PRO A 29 13.734 -18.672 -1.913 1.00 1.86 C ATOM 115 CD PRO A 29 12.781 -17.692 -1.306 1.00 1.65 C ATOM 0 HA PRO A 29 15.589 -16.067 -1.028 1.00 1.60 H new ATOM 0 HB2 PRO A 29 15.844 -18.552 -2.250 1.00 1.87 H new ATOM 0 HB3 PRO A 29 15.380 -18.453 -0.563 1.00 1.87 H new ATOM 0 HG2 PRO A 29 13.599 -18.736 -2.993 1.00 1.86 H new ATOM 0 HG3 PRO A 29 13.578 -19.673 -1.512 1.00 1.86 H new ATOM 0 HD2 PRO A 29 11.835 -17.658 -1.847 1.00 1.65 H new ATOM 0 HD3 PRO A 29 12.547 -17.941 -0.271 1.00 1.65 H new ATOM 123 N SER A 30 14.554 -16.553 -4.097 1.00 1.57 N ATOM 124 CA SER A 30 14.862 -16.268 -5.483 1.00 1.63 C ATOM 125 C SER A 30 14.639 -14.794 -5.783 1.00 1.47 C ATOM 126 O SER A 30 15.273 -14.220 -6.670 1.00 1.58 O ATOM 127 CB SER A 30 13.972 -17.131 -6.366 1.00 1.81 C ATOM 128 OG SER A 30 13.873 -18.447 -5.842 1.00 2.18 O ATOM 0 H SER A 30 13.671 -17.044 -3.958 1.00 1.57 H new ATOM 0 HA SER A 30 15.909 -16.496 -5.682 1.00 1.63 H new ATOM 0 HB2 SER A 30 12.979 -16.686 -6.436 1.00 1.81 H new ATOM 0 HB3 SER A 30 14.378 -17.166 -7.377 1.00 1.81 H new ATOM 0 HG SER A 30 13.296 -18.987 -6.421 1.00 2.18 H new ATOM 134 N LYS A 31 13.723 -14.195 -5.042 1.00 1.28 N ATOM 135 CA LYS A 31 13.485 -12.765 -5.129 1.00 1.14 C ATOM 136 C LYS A 31 14.447 -12.045 -4.197 1.00 1.01 C ATOM 137 O LYS A 31 14.379 -12.222 -2.983 1.00 1.03 O ATOM 138 CB LYS A 31 12.039 -12.439 -4.748 1.00 1.14 C ATOM 139 CG LYS A 31 11.404 -11.359 -5.610 1.00 1.18 C ATOM 140 CD LYS A 31 10.254 -10.676 -4.886 1.00 1.26 C ATOM 141 CE LYS A 31 9.158 -10.243 -5.851 1.00 1.93 C ATOM 142 NZ LYS A 31 8.535 -11.398 -6.554 1.00 2.75 N ATOM 0 H LYS A 31 13.129 -14.680 -4.370 1.00 1.28 H new ATOM 0 HA LYS A 31 13.650 -12.433 -6.154 1.00 1.14 H new ATOM 0 HB2 LYS A 31 11.441 -13.347 -4.821 1.00 1.14 H new ATOM 0 HB3 LYS A 31 12.011 -12.122 -3.706 1.00 1.14 H new ATOM 0 HG2 LYS A 31 12.156 -10.618 -5.881 1.00 1.18 H new ATOM 0 HG3 LYS A 31 11.041 -11.799 -6.539 1.00 1.18 H new ATOM 0 HD2 LYS A 31 9.837 -11.356 -4.143 1.00 1.26 H new ATOM 0 HD3 LYS A 31 10.629 -9.806 -4.347 1.00 1.26 H new ATOM 0 HE2 LYS A 31 8.390 -9.697 -5.303 1.00 1.93 H new ATOM 0 HE3 LYS A 31 9.575 -9.555 -6.586 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 7.559 -11.157 -6.821 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 9.083 -11.620 -7.409 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 8.527 -12.225 -5.923 1.00 2.75 H new ATOM 156 N PRO A 32 15.370 -11.238 -4.741 1.00 0.99 N ATOM 157 CA PRO A 32 16.371 -10.565 -3.927 1.00 0.97 C ATOM 158 C PRO A 32 15.748 -9.531 -3.008 1.00 0.85 C ATOM 159 O PRO A 32 14.739 -8.910 -3.340 1.00 0.89 O ATOM 160 CB PRO A 32 17.307 -9.889 -4.932 1.00 1.14 C ATOM 161 CG PRO A 32 16.893 -10.366 -6.287 1.00 1.38 C ATOM 162 CD PRO A 32 15.492 -10.901 -6.167 1.00 1.13 C ATOM 0 HA PRO A 32 16.890 -11.269 -3.277 1.00 0.97 H new ATOM 0 HB2 PRO A 32 17.231 -8.804 -4.863 1.00 1.14 H new ATOM 0 HB3 PRO A 32 18.346 -10.149 -4.730 1.00 1.14 H new ATOM 0 HG2 PRO A 32 16.932 -9.551 -7.009 1.00 1.38 H new ATOM 0 HG3 PRO A 32 17.571 -11.141 -6.645 1.00 1.38 H new ATOM 0 HD2 PRO A 32 14.753 -10.159 -6.468 1.00 1.13 H new ATOM 0 HD3 PRO A 32 15.342 -11.776 -6.800 1.00 1.13 H new ATOM 170 N GLY A 33 16.362 -9.357 -1.858 1.00 0.83 N ATOM 171 CA GLY A 33 15.872 -8.420 -0.880 1.00 0.79 C ATOM 172 C GLY A 33 17.016 -7.769 -0.149 1.00 0.76 C ATOM 173 O GLY A 33 17.826 -8.453 0.481 1.00 0.97 O ATOM 0 H GLY A 33 17.206 -9.857 -1.580 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.266 -7.658 -1.370 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.224 -8.933 -0.169 1.00 0.79 H new ATOM 177 N ARG A 34 17.107 -6.456 -0.254 1.00 0.81 N ATOM 178 CA ARG A 34 18.203 -5.721 0.348 1.00 0.79 C ATOM 179 C ARG A 34 17.668 -4.496 1.070 1.00 0.79 C ATOM 180 O ARG A 34 16.489 -4.167 0.957 1.00 0.97 O ATOM 181 CB ARG A 34 19.221 -5.309 -0.722 1.00 0.82 C ATOM 182 CG ARG A 34 19.661 -6.455 -1.623 1.00 1.24 C ATOM 183 CD ARG A 34 21.080 -6.900 -1.307 1.00 1.04 C ATOM 184 NE ARG A 34 22.070 -6.070 -1.989 1.00 0.98 N ATOM 185 CZ ARG A 34 22.854 -6.485 -2.982 1.00 1.43 C ATOM 186 NH1 ARG A 34 22.879 -7.767 -3.338 1.00 1.93 N ATOM 187 NH2 ARG A 34 23.633 -5.610 -3.604 1.00 1.56 N ATOM 0 H ARG A 34 16.432 -5.875 -0.752 1.00 0.81 H new ATOM 0 HA ARG A 34 18.706 -6.365 1.070 1.00 0.79 H new ATOM 0 HB2 ARG A 34 18.788 -4.520 -1.338 1.00 0.82 H new ATOM 0 HB3 ARG A 34 20.098 -4.886 -0.232 1.00 0.82 H new ATOM 0 HG2 ARG A 34 18.979 -7.297 -1.502 1.00 1.24 H new ATOM 0 HG3 ARG A 34 19.600 -6.143 -2.666 1.00 1.24 H new ATOM 0 HD2 ARG A 34 21.245 -6.853 -0.231 1.00 1.04 H new ATOM 0 HD3 ARG A 34 21.210 -7.941 -1.605 1.00 1.04 H new ATOM 0 HE ARG A 34 22.168 -5.102 -1.682 1.00 0.98 H new ATOM 0 HH11 ARG A 34 22.293 -8.444 -2.849 1.00 1.93 H new ATOM 0 HH12 ARG A 34 23.484 -8.073 -4.100 1.00 1.93 H new ATOM 0 HH21 ARG A 34 23.627 -4.630 -3.320 1.00 1.56 H new ATOM 0 HH22 ARG A 34 24.238 -5.917 -4.366 1.00 1.56 H new ATOM 201 N LYS A 35 18.531 -3.827 1.810 1.00 0.80 N ATOM 202 CA LYS A 35 18.134 -2.651 2.562 1.00 0.82 C ATOM 203 C LYS A 35 18.776 -1.416 1.955 1.00 0.77 C ATOM 204 O LYS A 35 19.943 -1.131 2.200 1.00 0.93 O ATOM 205 CB LYS A 35 18.549 -2.798 4.029 1.00 0.87 C ATOM 206 CG LYS A 35 17.823 -1.853 4.973 1.00 1.42 C ATOM 207 CD LYS A 35 18.446 -1.863 6.365 1.00 1.71 C ATOM 208 CE LYS A 35 19.829 -1.228 6.368 1.00 1.85 C ATOM 209 NZ LYS A 35 20.239 -0.788 7.728 1.00 2.64 N ATOM 0 H LYS A 35 19.515 -4.078 1.907 1.00 0.80 H new ATOM 0 HA LYS A 35 17.050 -2.547 2.517 1.00 0.82 H new ATOM 0 HB2 LYS A 35 18.366 -3.824 4.347 1.00 0.87 H new ATOM 0 HB3 LYS A 35 19.622 -2.625 4.112 1.00 0.87 H new ATOM 0 HG2 LYS A 35 17.851 -0.841 4.568 1.00 1.42 H new ATOM 0 HG3 LYS A 35 16.774 -2.141 5.041 1.00 1.42 H new ATOM 0 HD2 LYS A 35 17.798 -1.326 7.058 1.00 1.71 H new ATOM 0 HD3 LYS A 35 18.516 -2.890 6.725 1.00 1.71 H new ATOM 0 HE2 LYS A 35 20.557 -1.943 5.984 1.00 1.85 H new ATOM 0 HE3 LYS A 35 19.836 -0.372 5.693 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 21.186 -0.361 7.684 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 19.560 -0.086 8.085 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 20.258 -1.608 8.367 1.00 2.64 H new ATOM 223 N THR A 36 18.026 -0.698 1.140 1.00 0.59 N ATOM 224 CA THR A 36 18.552 0.487 0.491 1.00 0.54 C ATOM 225 C THR A 36 17.991 1.757 1.116 1.00 0.46 C ATOM 226 O THR A 36 17.025 1.709 1.887 1.00 0.46 O ATOM 227 CB THR A 36 18.245 0.485 -1.012 1.00 0.56 C ATOM 228 OG1 THR A 36 16.922 0.987 -1.247 1.00 0.54 O ATOM 229 CG2 THR A 36 18.364 -0.915 -1.601 1.00 0.68 C ATOM 0 H THR A 36 17.055 -0.914 0.913 1.00 0.59 H new ATOM 0 HA THR A 36 19.633 0.469 0.632 1.00 0.54 H new ATOM 0 HB THR A 36 18.976 1.130 -1.500 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.431 0.361 -1.819 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.140 -0.881 -2.667 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.378 -1.286 -1.455 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.659 -1.580 -1.103 1.00 0.68 H new ATOM 237 N ASN A 37 18.598 2.892 0.780 1.00 0.42 N ATOM 238 CA ASN A 37 18.172 4.179 1.310 1.00 0.40 C ATOM 239 C ASN A 37 16.786 4.544 0.794 1.00 0.33 C ATOM 240 O ASN A 37 15.992 5.129 1.526 1.00 0.33 O ATOM 241 CB ASN A 37 19.206 5.273 0.977 1.00 0.48 C ATOM 242 CG ASN A 37 18.702 6.341 0.019 1.00 0.72 C ATOM 243 OD1 ASN A 37 18.646 6.130 -1.195 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.353 7.501 0.556 1.00 0.78 N ATOM 0 H ASN A 37 19.390 2.944 0.140 1.00 0.42 H new ATOM 0 HA ASN A 37 18.109 4.102 2.395 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.521 5.753 1.904 1.00 0.48 H new ATOM 0 HB3 ASN A 37 20.089 4.802 0.545 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.023 8.260 -0.040 1.00 0.78 H new ATOM 0 HD22 ASN A 37 18.414 7.635 1.565 1.00 0.78 H new ATOM 251 N GLN A 38 16.492 4.180 -0.452 1.00 0.33 N ATOM 252 CA GLN A 38 15.174 4.420 -1.026 1.00 0.31 C ATOM 253 C GLN A 38 14.140 3.512 -0.375 1.00 0.26 C ATOM 254 O GLN A 38 13.006 3.927 -0.114 1.00 0.25 O ATOM 255 CB GLN A 38 15.202 4.186 -2.536 1.00 0.36 C ATOM 256 CG GLN A 38 13.982 4.725 -3.263 1.00 0.46 C ATOM 257 CD GLN A 38 14.079 4.538 -4.762 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.460 3.635 -5.330 1.00 1.04 O ATOM 259 NE2 GLN A 38 14.852 5.393 -5.412 1.00 0.55 N ATOM 0 H GLN A 38 17.149 3.719 -1.081 1.00 0.33 H new ATOM 0 HA GLN A 38 14.898 5.457 -0.837 1.00 0.31 H new ATOM 0 HB2 GLN A 38 16.096 4.653 -2.950 1.00 0.36 H new ATOM 0 HB3 GLN A 38 15.284 3.116 -2.727 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.089 4.221 -2.893 1.00 0.46 H new ATOM 0 HG3 GLN A 38 13.866 5.785 -3.038 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.346 6.125 -4.901 1.00 0.55 H new ATOM 0 HE22 GLN A 38 14.954 5.320 -6.424 1.00 0.55 H new ATOM 268 N LEU A 39 14.539 2.271 -0.108 1.00 0.28 N ATOM 269 CA LEU A 39 13.665 1.310 0.547 1.00 0.31 C ATOM 270 C LEU A 39 13.305 1.790 1.946 1.00 0.29 C ATOM 271 O LEU A 39 12.130 1.883 2.296 1.00 0.30 O ATOM 272 CB LEU A 39 14.331 -0.067 0.624 1.00 0.38 C ATOM 273 CG LEU A 39 13.567 -1.109 1.447 1.00 0.45 C ATOM 274 CD1 LEU A 39 12.947 -2.159 0.540 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.484 -1.758 2.472 1.00 0.80 C ATOM 0 H LEU A 39 15.465 1.910 -0.337 1.00 0.28 H new ATOM 0 HA LEU A 39 12.754 1.222 -0.045 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.460 -0.449 -0.389 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.328 0.051 1.050 1.00 0.38 H new ATOM 0 HG LEU A 39 12.763 -0.602 1.980 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.409 -2.890 1.144 1.00 0.63 H new ATOM 0 HD12 LEU A 39 12.254 -1.679 -0.152 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.732 -2.662 -0.024 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.923 -2.495 3.047 1.00 0.80 H new ATOM 0 HD22 LEU A 39 15.311 -2.250 1.960 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.876 -0.995 3.145 1.00 0.80 H new ATOM 287 N GLN A 40 14.326 2.118 2.730 1.00 0.29 N ATOM 288 CA GLN A 40 14.133 2.582 4.099 1.00 0.30 C ATOM 289 C GLN A 40 13.464 3.950 4.126 1.00 0.26 C ATOM 290 O GLN A 40 12.879 4.353 5.135 1.00 0.28 O ATOM 291 CB GLN A 40 15.469 2.646 4.831 1.00 0.36 C ATOM 292 CG GLN A 40 15.898 1.313 5.414 1.00 0.42 C ATOM 293 CD GLN A 40 16.131 1.383 6.907 1.00 0.72 C ATOM 294 OE1 GLN A 40 17.268 1.497 7.361 1.00 1.75 O ATOM 295 NE2 GLN A 40 15.061 1.321 7.680 1.00 0.83 N ATOM 0 H GLN A 40 15.302 2.071 2.438 1.00 0.29 H new ATOM 0 HA GLN A 40 13.481 1.869 4.604 1.00 0.30 H new ATOM 0 HB2 GLN A 40 16.237 2.997 4.142 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.401 3.381 5.633 1.00 0.36 H new ATOM 0 HG2 GLN A 40 15.134 0.565 5.203 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.812 0.982 4.922 1.00 0.42 H new ATOM 0 HE21 GLN A 40 14.135 1.226 7.263 1.00 0.83 H new ATOM 0 HE22 GLN A 40 15.161 1.368 8.694 1.00 0.83 H new ATOM 304 N TYR A 41 13.562 4.660 3.013 1.00 0.25 N ATOM 305 CA TYR A 41 12.976 5.975 2.885 1.00 0.24 C ATOM 306 C TYR A 41 11.459 5.906 2.884 1.00 0.22 C ATOM 307 O TYR A 41 10.811 6.414 3.793 1.00 0.23 O ATOM 308 CB TYR A 41 13.468 6.628 1.594 1.00 0.24 C ATOM 309 CG TYR A 41 13.145 8.094 1.484 1.00 0.31 C ATOM 310 CD1 TYR A 41 14.022 9.052 1.969 1.00 0.42 C ATOM 311 CD2 TYR A 41 11.965 8.518 0.897 1.00 0.32 C ATOM 312 CE1 TYR A 41 13.731 10.395 1.870 1.00 0.52 C ATOM 313 CE2 TYR A 41 11.665 9.859 0.792 1.00 0.44 C ATOM 314 CZ TYR A 41 12.552 10.797 1.278 1.00 0.53 C ATOM 315 OH TYR A 41 12.257 12.137 1.180 1.00 0.64 O ATOM 0 H TYR A 41 14.050 4.337 2.177 1.00 0.25 H new ATOM 0 HA TYR A 41 13.284 6.573 3.743 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.548 6.499 1.523 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.028 6.105 0.745 1.00 0.24 H new ATOM 0 HD1 TYR A 41 14.947 8.741 2.431 1.00 0.42 H new ATOM 0 HD2 TYR A 41 11.268 7.786 0.515 1.00 0.32 H new ATOM 0 HE1 TYR A 41 14.423 11.130 2.254 1.00 0.52 H new ATOM 0 HE2 TYR A 41 10.740 10.174 0.332 1.00 0.44 H new ATOM 0 HH TYR A 41 12.361 12.428 0.250 1.00 0.64 H new ATOM 325 N MET A 42 10.895 5.252 1.878 1.00 0.20 N ATOM 326 CA MET A 42 9.461 5.301 1.657 1.00 0.20 C ATOM 327 C MET A 42 8.682 4.754 2.846 1.00 0.21 C ATOM 328 O MET A 42 7.606 5.260 3.160 1.00 0.22 O ATOM 329 CB MET A 42 9.088 4.535 0.385 1.00 0.23 C ATOM 330 CG MET A 42 7.588 4.366 0.193 1.00 0.80 C ATOM 331 SD MET A 42 7.093 2.642 0.060 1.00 1.07 S ATOM 332 CE MET A 42 7.357 2.369 -1.683 1.00 1.13 C ATOM 0 H MET A 42 11.409 4.683 1.205 1.00 0.20 H new ATOM 0 HA MET A 42 9.188 6.349 1.537 1.00 0.20 H new ATOM 0 HB2 MET A 42 9.500 5.058 -0.478 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.555 3.551 0.414 1.00 0.23 H new ATOM 0 HG2 MET A 42 7.065 4.826 1.031 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.279 4.899 -0.706 1.00 0.80 H new ATOM 0 HE1 MET A 42 7.807 1.388 -1.834 1.00 1.13 H new ATOM 0 HE2 MET A 42 6.402 2.415 -2.207 1.00 1.13 H new ATOM 0 HE3 MET A 42 8.023 3.138 -2.075 1.00 1.13 H new ATOM 342 N GLN A 43 9.234 3.754 3.528 1.00 0.24 N ATOM 343 CA GLN A 43 8.509 3.104 4.622 1.00 0.30 C ATOM 344 C GLN A 43 8.235 4.094 5.745 1.00 0.30 C ATOM 345 O GLN A 43 7.111 4.209 6.232 1.00 0.33 O ATOM 346 CB GLN A 43 9.269 1.894 5.183 1.00 0.42 C ATOM 347 CG GLN A 43 10.770 1.929 4.962 1.00 0.84 C ATOM 348 CD GLN A 43 11.525 0.977 5.873 1.00 0.76 C ATOM 349 OE1 GLN A 43 12.480 1.363 6.544 1.00 1.30 O ATOM 350 NE2 GLN A 43 11.106 -0.276 5.896 1.00 0.54 N ATOM 0 H GLN A 43 10.165 3.379 3.349 1.00 0.24 H new ATOM 0 HA GLN A 43 7.566 2.748 4.207 1.00 0.30 H new ATOM 0 HB2 GLN A 43 9.075 1.825 6.253 1.00 0.42 H new ATOM 0 HB3 GLN A 43 8.869 0.988 4.727 1.00 0.42 H new ATOM 0 HG2 GLN A 43 10.985 1.677 3.924 1.00 0.84 H new ATOM 0 HG3 GLN A 43 11.132 2.944 5.125 1.00 0.84 H new ATOM 0 HE21 GLN A 43 10.309 -0.558 5.325 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.579 -0.961 6.485 1.00 0.54 H new ATOM 359 N ASN A 44 9.269 4.808 6.147 1.00 0.30 N ATOM 360 CA ASN A 44 9.154 5.764 7.236 1.00 0.33 C ATOM 361 C ASN A 44 8.670 7.119 6.741 1.00 0.31 C ATOM 362 O ASN A 44 7.998 7.843 7.470 1.00 0.34 O ATOM 363 CB ASN A 44 10.497 5.919 7.955 1.00 0.37 C ATOM 364 CG ASN A 44 10.959 4.629 8.601 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.419 4.199 9.622 1.00 0.50 O ATOM 366 ND2 ASN A 44 11.962 3.994 8.006 1.00 0.47 N ATOM 0 H ASN A 44 10.200 4.745 5.736 1.00 0.30 H new ATOM 0 HA ASN A 44 8.415 5.377 7.937 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.250 6.256 7.243 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.411 6.693 8.717 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.312 3.118 8.393 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.383 4.383 7.162 1.00 0.47 H new ATOM 373 N VAL A 45 9.019 7.469 5.512 1.00 0.27 N ATOM 374 CA VAL A 45 8.687 8.786 4.991 1.00 0.27 C ATOM 375 C VAL A 45 7.322 8.828 4.311 1.00 0.24 C ATOM 376 O VAL A 45 6.431 9.557 4.741 1.00 0.28 O ATOM 377 CB VAL A 45 9.749 9.273 3.988 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.329 10.591 3.367 1.00 0.29 C ATOM 379 CG2 VAL A 45 11.109 9.395 4.655 1.00 0.30 C ATOM 0 H VAL A 45 9.526 6.867 4.863 1.00 0.27 H new ATOM 0 HA VAL A 45 8.660 9.445 5.859 1.00 0.27 H new ATOM 0 HB VAL A 45 9.833 8.533 3.192 1.00 0.26 H new ATOM 0 HG11 VAL A 45 10.091 10.920 2.661 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.382 10.461 2.844 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.211 11.341 4.149 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.842 9.741 3.926 1.00 0.30 H new ATOM 0 HG22 VAL A 45 11.049 10.110 5.476 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.413 8.422 5.042 1.00 0.30 H new ATOM 389 N VAL A 46 7.145 8.025 3.275 1.00 0.19 N ATOM 390 CA VAL A 46 5.954 8.125 2.444 1.00 0.19 C ATOM 391 C VAL A 46 4.771 7.442 3.116 1.00 0.19 C ATOM 392 O VAL A 46 3.710 8.047 3.286 1.00 0.19 O ATOM 393 CB VAL A 46 6.176 7.517 1.043 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.988 7.804 0.141 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.458 8.050 0.417 1.00 0.22 C ATOM 0 H VAL A 46 7.805 7.301 2.990 1.00 0.19 H new ATOM 0 HA VAL A 46 5.739 9.187 2.322 1.00 0.19 H new ATOM 0 HB VAL A 46 6.273 6.437 1.155 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.164 7.367 -0.842 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.088 7.369 0.576 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.859 8.882 0.041 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.593 7.607 -0.570 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.393 9.134 0.322 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.307 7.791 1.050 1.00 0.22 H new ATOM 405 N VAL A 47 4.976 6.194 3.524 1.00 0.20 N ATOM 406 CA VAL A 47 3.916 5.405 4.146 1.00 0.23 C ATOM 407 C VAL A 47 3.381 6.094 5.395 1.00 0.23 C ATOM 408 O VAL A 47 2.176 6.229 5.568 1.00 0.25 O ATOM 409 CB VAL A 47 4.399 3.992 4.527 1.00 0.31 C ATOM 410 CG1 VAL A 47 3.223 3.115 4.925 1.00 0.70 C ATOM 411 CG2 VAL A 47 5.177 3.364 3.385 1.00 0.83 C ATOM 0 H VAL A 47 5.867 5.706 3.435 1.00 0.20 H new ATOM 0 HA VAL A 47 3.121 5.318 3.405 1.00 0.23 H new ATOM 0 HB VAL A 47 5.067 4.078 5.384 1.00 0.31 H new ATOM 0 HG11 VAL A 47 3.584 2.121 5.191 1.00 0.70 H new ATOM 0 HG12 VAL A 47 2.713 3.557 5.781 1.00 0.70 H new ATOM 0 HG13 VAL A 47 2.528 3.037 4.089 1.00 0.70 H new ATOM 0 HG21 VAL A 47 5.508 2.367 3.675 1.00 0.83 H new ATOM 0 HG22 VAL A 47 4.537 3.292 2.505 1.00 0.83 H new ATOM 0 HG23 VAL A 47 6.045 3.982 3.153 1.00 0.83 H new ATOM 421 N LYS A 48 4.288 6.544 6.251 1.00 0.26 N ATOM 422 CA LYS A 48 3.907 7.174 7.511 1.00 0.30 C ATOM 423 C LYS A 48 3.122 8.468 7.296 1.00 0.28 C ATOM 424 O LYS A 48 2.284 8.832 8.122 1.00 0.33 O ATOM 425 CB LYS A 48 5.147 7.447 8.357 1.00 0.36 C ATOM 426 CG LYS A 48 5.399 6.389 9.416 1.00 0.53 C ATOM 427 CD LYS A 48 5.692 7.016 10.766 1.00 1.25 C ATOM 428 CE LYS A 48 6.717 6.205 11.539 1.00 1.79 C ATOM 429 NZ LYS A 48 7.343 6.998 12.626 1.00 2.40 N ATOM 0 H LYS A 48 5.295 6.485 6.097 1.00 0.26 H new ATOM 0 HA LYS A 48 3.252 6.480 8.037 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.017 7.511 7.703 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.041 8.418 8.842 1.00 0.36 H new ATOM 0 HG2 LYS A 48 4.528 5.738 9.497 1.00 0.53 H new ATOM 0 HG3 LYS A 48 6.238 5.763 9.114 1.00 0.53 H new ATOM 0 HD2 LYS A 48 6.060 8.032 10.625 1.00 1.25 H new ATOM 0 HD3 LYS A 48 4.771 7.088 11.344 1.00 1.25 H new ATOM 0 HE2 LYS A 48 6.237 5.323 11.963 1.00 1.79 H new ATOM 0 HE3 LYS A 48 7.490 5.851 10.857 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 8.037 6.409 13.130 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 7.822 7.826 12.219 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 6.609 7.315 13.291 1.00 2.40 H new ATOM 443 N THR A 49 3.387 9.164 6.197 1.00 0.23 N ATOM 444 CA THR A 49 2.645 10.378 5.887 1.00 0.24 C ATOM 445 C THR A 49 1.236 10.026 5.410 1.00 0.22 C ATOM 446 O THR A 49 0.257 10.659 5.813 1.00 0.24 O ATOM 447 CB THR A 49 3.363 11.237 4.826 1.00 0.28 C ATOM 448 OG1 THR A 49 4.729 11.451 5.214 1.00 0.55 O ATOM 449 CG2 THR A 49 2.670 12.583 4.652 1.00 0.52 C ATOM 0 H THR A 49 4.101 8.912 5.514 1.00 0.23 H new ATOM 0 HA THR A 49 2.583 10.967 6.802 1.00 0.24 H new ATOM 0 HB THR A 49 3.328 10.702 3.877 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.313 10.860 4.694 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.197 13.169 3.898 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.640 12.423 4.333 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.677 13.121 5.600 1.00 0.52 H new ATOM 457 N LEU A 50 1.144 8.995 4.571 1.00 0.20 N ATOM 458 CA LEU A 50 -0.145 8.475 4.120 1.00 0.21 C ATOM 459 C LEU A 50 -0.933 7.965 5.319 1.00 0.20 C ATOM 460 O LEU A 50 -2.135 8.197 5.447 1.00 0.21 O ATOM 461 CB LEU A 50 0.071 7.328 3.119 1.00 0.24 C ATOM 462 CG LEU A 50 -0.846 7.317 1.885 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.367 5.915 1.621 1.00 0.33 C ATOM 464 CD2 LEU A 50 -2.006 8.286 2.051 1.00 0.29 C ATOM 0 H LEU A 50 1.951 8.502 4.189 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.701 9.274 3.630 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.105 7.364 2.776 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -0.057 6.384 3.648 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.255 7.640 1.028 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -2.014 5.926 0.744 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.528 5.242 1.444 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.933 5.569 2.485 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.636 8.255 1.162 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.595 8.002 2.923 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.620 9.296 2.187 1.00 0.29 H new ATOM 476 N TRP A 51 -0.220 7.280 6.197 1.00 0.22 N ATOM 477 CA TRP A 51 -0.787 6.706 7.405 1.00 0.24 C ATOM 478 C TRP A 51 -1.432 7.766 8.293 1.00 0.26 C ATOM 479 O TRP A 51 -2.443 7.515 8.944 1.00 0.29 O ATOM 480 CB TRP A 51 0.315 5.988 8.183 1.00 0.27 C ATOM 481 CG TRP A 51 -0.191 4.905 9.072 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.727 5.054 10.316 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.205 3.504 8.788 1.00 0.29 C ATOM 484 NE1 TRP A 51 -1.077 3.832 10.827 1.00 0.32 N ATOM 485 CE2 TRP A 51 -0.766 2.860 9.905 1.00 0.31 C ATOM 486 CE3 TRP A 51 0.201 2.733 7.694 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -0.932 1.478 9.956 1.00 0.35 C ATOM 488 CZ3 TRP A 51 0.040 1.365 7.745 1.00 0.37 C ATOM 489 CH2 TRP A 51 -0.524 0.748 8.868 1.00 0.39 C ATOM 0 H TRP A 51 0.779 7.105 6.090 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.567 6.004 7.111 1.00 0.24 H new ATOM 0 HB2 TRP A 51 1.029 5.563 7.477 1.00 0.27 H new ATOM 0 HB3 TRP A 51 0.857 6.717 8.785 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.857 5.998 10.825 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.499 3.670 11.741 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.634 3.202 6.823 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.366 0.998 10.821 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 0.353 0.761 6.907 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -0.641 -0.326 8.878 1.00 0.39 H new ATOM 500 N LYS A 52 -0.850 8.952 8.318 1.00 0.27 N ATOM 501 CA LYS A 52 -1.304 9.987 9.231 1.00 0.29 C ATOM 502 C LYS A 52 -2.368 10.886 8.605 1.00 0.30 C ATOM 503 O LYS A 52 -2.689 11.944 9.147 1.00 0.45 O ATOM 504 CB LYS A 52 -0.124 10.819 9.708 1.00 0.33 C ATOM 505 CG LYS A 52 0.416 10.376 11.061 1.00 0.48 C ATOM 506 CD LYS A 52 1.639 11.185 11.474 1.00 1.13 C ATOM 507 CE LYS A 52 1.324 12.671 11.601 1.00 1.74 C ATOM 508 NZ LYS A 52 0.124 12.923 12.444 1.00 2.24 N ATOM 0 H LYS A 52 -0.068 9.222 7.722 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.765 9.489 10.084 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.675 10.761 8.969 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.426 11.864 9.770 1.00 0.33 H new ATOM 0 HG2 LYS A 52 -0.363 10.483 11.816 1.00 0.48 H new ATOM 0 HG3 LYS A 52 0.677 9.318 11.020 1.00 0.48 H new ATOM 0 HD2 LYS A 52 2.016 10.812 12.426 1.00 1.13 H new ATOM 0 HD3 LYS A 52 2.432 11.044 10.740 1.00 1.13 H new ATOM 0 HE2 LYS A 52 2.182 13.187 12.031 1.00 1.74 H new ATOM 0 HE3 LYS A 52 1.163 13.092 10.609 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 0.065 13.936 12.670 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 -0.731 12.633 11.927 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 0.198 12.376 13.325 1.00 2.24 H new ATOM 522 N HIS A 53 -2.917 10.468 7.472 1.00 0.25 N ATOM 523 CA HIS A 53 -3.990 11.215 6.829 1.00 0.26 C ATOM 524 C HIS A 53 -5.338 10.806 7.415 1.00 0.31 C ATOM 525 O HIS A 53 -5.590 9.624 7.643 1.00 0.35 O ATOM 526 CB HIS A 53 -3.979 10.986 5.319 1.00 0.24 C ATOM 527 CG HIS A 53 -4.687 12.055 4.545 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.924 11.838 3.996 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.282 13.311 4.242 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.242 12.953 3.368 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.280 13.878 3.491 1.00 0.39 N ATOM 0 H HIS A 53 -2.638 9.619 6.981 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.830 12.277 7.015 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.946 10.925 4.977 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.444 10.024 5.102 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.353 13.777 4.535 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.162 13.102 2.823 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.288 14.821 3.102 1.00 0.39 H new ATOM 539 N GLN A 54 -6.207 11.785 7.638 1.00 0.42 N ATOM 540 CA GLN A 54 -7.488 11.541 8.297 1.00 0.54 C ATOM 541 C GLN A 54 -8.492 10.861 7.366 1.00 0.42 C ATOM 542 O GLN A 54 -9.628 10.604 7.757 1.00 0.47 O ATOM 543 CB GLN A 54 -8.072 12.856 8.817 1.00 0.79 C ATOM 544 CG GLN A 54 -7.613 13.207 10.223 1.00 1.09 C ATOM 545 CD GLN A 54 -7.642 12.011 11.153 1.00 1.24 C ATOM 546 OE1 GLN A 54 -8.693 11.649 11.679 1.00 1.91 O ATOM 547 NE2 GLN A 54 -6.493 11.391 11.360 1.00 1.21 N ATOM 0 H GLN A 54 -6.049 12.757 7.372 1.00 0.42 H new ATOM 0 HA GLN A 54 -7.300 10.866 9.132 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.792 13.662 8.139 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -9.160 12.792 8.803 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -6.600 13.608 10.183 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -8.252 13.993 10.626 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -5.644 11.725 10.903 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -6.455 10.579 11.976 1.00 1.21 H new ATOM 556 N PHE A 55 -8.076 10.576 6.141 1.00 0.36 N ATOM 557 CA PHE A 55 -8.939 9.894 5.185 1.00 0.31 C ATOM 558 C PHE A 55 -8.421 8.488 4.901 1.00 0.27 C ATOM 559 O PHE A 55 -9.033 7.728 4.155 1.00 0.29 O ATOM 560 CB PHE A 55 -9.022 10.701 3.885 1.00 0.36 C ATOM 561 CG PHE A 55 -10.283 11.504 3.718 1.00 0.45 C ATOM 562 CD1 PHE A 55 -11.148 11.723 4.784 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.603 12.044 2.483 1.00 0.73 C ATOM 564 CE1 PHE A 55 -12.301 12.461 4.615 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.757 12.783 2.311 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.606 12.992 3.377 1.00 0.86 C ATOM 0 H PHE A 55 -7.148 10.805 5.785 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.937 9.811 5.615 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.169 11.378 3.839 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -8.931 10.016 3.042 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.915 11.311 5.755 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -9.942 11.885 1.644 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.965 12.624 5.451 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -11.994 13.197 1.342 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.508 13.570 3.244 1.00 0.86 H new ATOM 576 N ALA A 56 -7.297 8.143 5.512 1.00 0.25 N ATOM 577 CA ALA A 56 -6.686 6.835 5.303 1.00 0.25 C ATOM 578 C ALA A 56 -6.999 5.902 6.463 1.00 0.26 C ATOM 579 O ALA A 56 -6.374 4.854 6.620 1.00 0.28 O ATOM 580 CB ALA A 56 -5.183 6.977 5.129 1.00 0.28 C ATOM 0 H ALA A 56 -6.789 8.749 6.156 1.00 0.25 H new ATOM 0 HA ALA A 56 -7.104 6.402 4.394 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.740 5.993 4.974 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.975 7.609 4.266 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.755 7.431 6.023 1.00 0.28 H new ATOM 586 N TRP A 57 -7.997 6.277 7.251 1.00 0.30 N ATOM 587 CA TRP A 57 -8.327 5.545 8.473 1.00 0.34 C ATOM 588 C TRP A 57 -8.824 4.104 8.220 1.00 0.35 C ATOM 589 O TRP A 57 -8.493 3.213 9.001 1.00 0.40 O ATOM 590 CB TRP A 57 -9.318 6.328 9.357 1.00 0.37 C ATOM 591 CG TRP A 57 -10.633 6.662 8.716 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.913 7.745 7.938 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.854 5.920 8.826 1.00 0.42 C ATOM 594 NE1 TRP A 57 -12.229 7.717 7.547 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.827 6.605 8.076 1.00 0.46 C ATOM 596 CE3 TRP A 57 -12.218 4.736 9.476 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -14.135 6.149 7.957 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.519 4.286 9.361 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.463 4.992 8.606 1.00 0.58 C ATOM 0 H TRP A 57 -8.594 7.084 7.069 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.386 5.448 9.015 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.511 5.747 10.259 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.841 7.256 9.672 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -10.203 8.513 7.668 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.687 8.412 6.958 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.495 4.184 10.057 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.865 6.689 7.373 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.812 3.375 9.862 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.472 4.614 8.535 1.00 0.58 H new ATOM 610 N PRO A 58 -9.600 3.813 7.143 1.00 0.34 N ATOM 611 CA PRO A 58 -10.040 2.447 6.880 1.00 0.40 C ATOM 612 C PRO A 58 -8.987 1.647 6.121 1.00 0.36 C ATOM 613 O PRO A 58 -9.236 0.529 5.676 1.00 0.45 O ATOM 614 CB PRO A 58 -11.291 2.640 6.030 1.00 0.47 C ATOM 615 CG PRO A 58 -11.111 3.943 5.328 1.00 0.40 C ATOM 616 CD PRO A 58 -10.113 4.751 6.119 1.00 0.32 C ATOM 0 HA PRO A 58 -10.220 1.884 7.796 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -11.408 1.825 5.316 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.187 2.651 6.651 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -10.755 3.784 4.310 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.061 4.473 5.254 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.309 5.121 5.482 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.582 5.621 6.578 1.00 0.32 H new ATOM 624 N PHE A 59 -7.803 2.230 5.997 1.00 0.31 N ATOM 625 CA PHE A 59 -6.710 1.614 5.264 1.00 0.31 C ATOM 626 C PHE A 59 -5.574 1.227 6.209 1.00 0.31 C ATOM 627 O PHE A 59 -4.433 1.057 5.786 1.00 0.52 O ATOM 628 CB PHE A 59 -6.193 2.585 4.201 1.00 0.36 C ATOM 629 CG PHE A 59 -6.623 2.256 2.800 1.00 0.47 C ATOM 630 CD1 PHE A 59 -6.504 0.967 2.307 1.00 0.92 C ATOM 631 CD2 PHE A 59 -7.136 3.241 1.973 1.00 0.68 C ATOM 632 CE1 PHE A 59 -6.889 0.668 1.016 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.524 2.948 0.681 1.00 0.87 C ATOM 634 CZ PHE A 59 -7.400 1.660 0.201 1.00 0.95 C ATOM 0 H PHE A 59 -7.575 3.139 6.400 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.080 0.709 4.783 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.536 3.590 4.447 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -5.104 2.601 4.240 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -6.106 0.188 2.940 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -7.234 4.251 2.343 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -6.791 -0.341 0.643 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -7.924 3.725 0.047 1.00 0.87 H new ATOM 0 HZ PHE A 59 -7.702 1.428 -0.810 1.00 0.95 H new ATOM 644 N TYR A 60 -5.892 1.087 7.492 1.00 0.35 N ATOM 645 CA TYR A 60 -4.875 0.795 8.502 1.00 0.39 C ATOM 646 C TYR A 60 -4.715 -0.704 8.715 1.00 0.45 C ATOM 647 O TYR A 60 -3.724 -1.156 9.290 1.00 0.63 O ATOM 648 CB TYR A 60 -5.240 1.442 9.841 1.00 0.46 C ATOM 649 CG TYR A 60 -5.130 2.951 9.871 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.391 3.647 8.922 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.773 3.679 10.864 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.299 5.025 8.964 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.685 5.056 10.912 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.949 5.725 9.960 1.00 0.45 C ATOM 655 OH TYR A 60 -4.860 7.098 10.005 1.00 0.58 O ATOM 0 H TYR A 60 -6.840 1.170 7.858 1.00 0.35 H new ATOM 0 HA TYR A 60 -3.935 1.206 8.134 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -6.262 1.162 10.097 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -4.593 1.030 10.615 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -3.881 3.103 8.140 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -6.352 3.158 11.612 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.720 5.552 8.220 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -6.191 5.605 11.692 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.945 7.374 9.788 1.00 0.58 H new ATOM 665 N GLN A 61 -5.689 -1.472 8.262 1.00 0.46 N ATOM 666 CA GLN A 61 -5.702 -2.901 8.526 1.00 0.55 C ATOM 667 C GLN A 61 -5.554 -3.691 7.238 1.00 0.56 C ATOM 668 O GLN A 61 -6.223 -3.398 6.249 1.00 0.57 O ATOM 669 CB GLN A 61 -6.993 -3.294 9.243 1.00 0.65 C ATOM 670 CG GLN A 61 -7.370 -2.346 10.367 1.00 0.71 C ATOM 671 CD GLN A 61 -8.613 -2.785 11.111 1.00 1.09 C ATOM 672 OE1 GLN A 61 -8.652 -3.867 11.698 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.635 -1.946 11.095 1.00 1.63 N ATOM 0 H GLN A 61 -6.478 -1.133 7.712 1.00 0.46 H new ATOM 0 HA GLN A 61 -4.855 -3.137 9.170 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -7.806 -3.328 8.518 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -6.884 -4.300 9.647 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -6.539 -2.272 11.068 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.530 -1.349 9.957 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -9.559 -1.060 10.596 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -10.499 -2.185 11.582 1.00 1.63 H new ATOM 682 N PRO A 62 -4.667 -4.698 7.240 1.00 0.63 N ATOM 683 CA PRO A 62 -4.431 -5.541 6.068 1.00 0.68 C ATOM 684 C PRO A 62 -5.670 -6.333 5.670 1.00 0.69 C ATOM 685 O PRO A 62 -6.437 -6.786 6.529 1.00 0.77 O ATOM 686 CB PRO A 62 -3.307 -6.483 6.516 1.00 0.78 C ATOM 687 CG PRO A 62 -3.340 -6.459 8.003 1.00 0.87 C ATOM 688 CD PRO A 62 -3.823 -5.089 8.383 1.00 0.73 C ATOM 0 HA PRO A 62 -4.175 -4.951 5.188 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -3.465 -7.492 6.136 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -2.341 -6.148 6.139 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -4.006 -7.229 8.391 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -2.351 -6.654 8.419 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -4.389 -5.106 9.314 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -2.994 -4.396 8.527 1.00 0.73 H new ATOM 696 N VAL A 63 -5.874 -6.486 4.368 1.00 0.66 N ATOM 697 CA VAL A 63 -7.011 -7.241 3.869 1.00 0.69 C ATOM 698 C VAL A 63 -6.815 -8.732 4.125 1.00 0.77 C ATOM 699 O VAL A 63 -6.178 -9.451 3.354 1.00 0.88 O ATOM 700 CB VAL A 63 -7.279 -6.977 2.368 1.00 0.73 C ATOM 701 CG1 VAL A 63 -8.241 -8.011 1.799 1.00 0.82 C ATOM 702 CG2 VAL A 63 -7.848 -5.581 2.173 1.00 0.75 C ATOM 0 H VAL A 63 -5.269 -6.099 3.643 1.00 0.66 H new ATOM 0 HA VAL A 63 -7.890 -6.899 4.416 1.00 0.69 H new ATOM 0 HB VAL A 63 -6.331 -7.055 1.835 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -8.414 -7.805 0.743 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -7.811 -9.007 1.909 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -9.187 -7.963 2.338 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -8.032 -5.408 1.113 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -8.784 -5.490 2.723 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -7.136 -4.843 2.543 1.00 0.75 H new ATOM 712 N ASP A 64 -7.342 -9.171 5.253 1.00 0.79 N ATOM 713 CA ASP A 64 -7.344 -10.578 5.619 1.00 0.93 C ATOM 714 C ASP A 64 -8.709 -11.180 5.275 1.00 1.00 C ATOM 715 O ASP A 64 -8.939 -12.383 5.412 1.00 1.51 O ATOM 716 CB ASP A 64 -7.007 -10.707 7.117 1.00 1.02 C ATOM 717 CG ASP A 64 -7.805 -11.769 7.849 1.00 1.29 C ATOM 718 OD1 ASP A 64 -8.940 -11.471 8.276 1.00 1.85 O ATOM 719 OD2 ASP A 64 -7.296 -12.898 8.012 1.00 1.42 O ATOM 0 H ASP A 64 -7.782 -8.562 5.943 1.00 0.79 H new ATOM 0 HA ASP A 64 -6.588 -11.131 5.061 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -5.945 -10.932 7.220 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -7.177 -9.745 7.600 1.00 1.02 H new ATOM 724 N ALA A 65 -9.593 -10.295 4.792 1.00 0.94 N ATOM 725 CA ALA A 65 -10.965 -10.629 4.385 1.00 0.94 C ATOM 726 C ALA A 65 -11.907 -10.699 5.582 1.00 1.03 C ATOM 727 O ALA A 65 -13.064 -10.303 5.486 1.00 1.29 O ATOM 728 CB ALA A 65 -11.029 -11.916 3.568 1.00 0.96 C ATOM 0 H ALA A 65 -9.369 -9.307 4.671 1.00 0.94 H new ATOM 0 HA ALA A 65 -11.301 -9.817 3.740 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -12.063 -12.120 3.291 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -10.427 -11.805 2.666 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -10.642 -12.744 4.162 1.00 0.96 H new ATOM 734 N ILE A 66 -11.416 -11.174 6.712 1.00 1.03 N ATOM 735 CA ILE A 66 -12.238 -11.265 7.912 1.00 1.14 C ATOM 736 C ILE A 66 -12.036 -10.035 8.787 1.00 1.13 C ATOM 737 O ILE A 66 -13.002 -9.401 9.212 1.00 1.19 O ATOM 738 CB ILE A 66 -11.925 -12.540 8.724 1.00 1.24 C ATOM 739 CG1 ILE A 66 -12.046 -13.778 7.831 1.00 1.35 C ATOM 740 CG2 ILE A 66 -12.858 -12.654 9.923 1.00 1.37 C ATOM 741 CD1 ILE A 66 -11.393 -15.011 8.411 1.00 1.89 C ATOM 0 H ILE A 66 -10.457 -11.502 6.827 1.00 1.03 H new ATOM 0 HA ILE A 66 -13.279 -11.316 7.591 1.00 1.14 H new ATOM 0 HB ILE A 66 -10.901 -12.474 9.093 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -13.101 -13.986 7.654 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -11.597 -13.561 6.862 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -12.622 -13.559 10.483 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -12.730 -11.785 10.568 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -13.891 -12.700 9.577 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -11.519 -15.847 7.723 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -10.330 -14.823 8.562 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -11.858 -15.254 9.367 1.00 1.89 H new ATOM 753 N LYS A 67 -10.773 -9.693 9.019 1.00 1.10 N ATOM 754 CA LYS A 67 -10.398 -8.542 9.842 1.00 1.15 C ATOM 755 C LYS A 67 -11.097 -7.258 9.388 1.00 1.13 C ATOM 756 O LYS A 67 -11.503 -6.439 10.211 1.00 1.27 O ATOM 757 CB LYS A 67 -8.877 -8.352 9.794 1.00 1.21 C ATOM 758 CG LYS A 67 -8.380 -7.134 10.562 1.00 1.50 C ATOM 759 CD LYS A 67 -7.492 -7.531 11.732 1.00 1.90 C ATOM 760 CE LYS A 67 -8.048 -7.022 13.053 1.00 2.46 C ATOM 761 NZ LYS A 67 -7.475 -5.702 13.431 1.00 2.99 N ATOM 0 H LYS A 67 -9.976 -10.206 8.642 1.00 1.10 H new ATOM 0 HA LYS A 67 -10.718 -8.744 10.864 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -8.397 -9.244 10.197 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -8.565 -8.265 8.753 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -7.825 -6.481 9.889 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -9.232 -6.563 10.929 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -7.401 -8.617 11.769 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -6.489 -7.132 11.580 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -9.132 -6.939 12.981 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -7.835 -7.747 13.839 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -7.690 -5.503 14.429 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -6.444 -5.720 13.296 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -7.890 -4.959 12.833 1.00 2.99 H new ATOM 775 N LEU A 68 -11.243 -7.093 8.080 1.00 1.02 N ATOM 776 CA LEU A 68 -11.805 -5.866 7.523 1.00 1.03 C ATOM 777 C LEU A 68 -13.194 -6.107 6.932 1.00 1.05 C ATOM 778 O LEU A 68 -13.771 -5.216 6.308 1.00 1.10 O ATOM 779 CB LEU A 68 -10.866 -5.299 6.456 1.00 1.02 C ATOM 780 CG LEU A 68 -10.784 -3.770 6.397 1.00 1.07 C ATOM 781 CD1 LEU A 68 -10.539 -3.188 7.782 1.00 1.61 C ATOM 782 CD2 LEU A 68 -9.689 -3.340 5.432 1.00 1.66 C ATOM 0 H LEU A 68 -10.981 -7.791 7.384 1.00 1.02 H new ATOM 0 HA LEU A 68 -11.909 -5.143 8.332 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -9.865 -5.693 6.631 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -11.187 -5.666 5.481 1.00 1.02 H new ATOM 0 HG LEU A 68 -11.738 -3.386 6.035 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -10.484 -2.101 7.716 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -11.357 -3.470 8.445 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -9.600 -3.575 8.178 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -9.640 -2.252 5.399 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -8.731 -3.736 5.769 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -9.910 -3.724 4.436 1.00 1.66 H new ATOM 794 N ASN A 69 -13.717 -7.315 7.135 1.00 1.06 N ATOM 795 CA ASN A 69 -15.060 -7.680 6.664 1.00 1.12 C ATOM 796 C ASN A 69 -15.177 -7.535 5.142 1.00 1.09 C ATOM 797 O ASN A 69 -16.098 -6.891 4.628 1.00 1.15 O ATOM 798 CB ASN A 69 -16.117 -6.827 7.376 1.00 1.24 C ATOM 799 CG ASN A 69 -17.491 -7.474 7.395 1.00 1.34 C ATOM 800 OD1 ASN A 69 -18.417 -7.018 6.720 1.00 1.74 O ATOM 801 ND2 ASN A 69 -17.643 -8.528 8.185 1.00 1.55 N ATOM 0 H ASN A 69 -13.230 -8.065 7.626 1.00 1.06 H new ATOM 0 HA ASN A 69 -15.233 -8.729 6.906 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -15.795 -6.641 8.401 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -16.185 -5.857 6.883 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -18.550 -8.991 8.249 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -16.853 -8.876 8.728 1.00 1.55 H new ATOM 808 N LEU A 70 -14.233 -8.141 4.428 1.00 1.04 N ATOM 809 CA LEU A 70 -14.199 -8.105 2.968 1.00 1.01 C ATOM 810 C LEU A 70 -14.110 -9.522 2.402 1.00 0.99 C ATOM 811 O LEU A 70 -13.070 -9.925 1.880 1.00 0.95 O ATOM 812 CB LEU A 70 -13.007 -7.275 2.486 1.00 1.01 C ATOM 813 CG LEU A 70 -12.818 -5.948 3.207 1.00 1.13 C ATOM 814 CD1 LEU A 70 -11.494 -5.330 2.817 1.00 1.61 C ATOM 815 CD2 LEU A 70 -13.967 -5.005 2.895 1.00 1.54 C ATOM 0 H LEU A 70 -13.469 -8.672 4.845 1.00 1.04 H new ATOM 0 HA LEU A 70 -15.120 -7.642 2.613 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.099 -7.868 2.602 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -13.126 -7.079 1.420 1.00 1.01 H new ATOM 0 HG LEU A 70 -12.812 -6.129 4.282 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -11.368 -4.381 3.338 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -10.683 -6.005 3.091 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -11.476 -5.158 1.741 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -13.816 -4.061 3.419 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -14.006 -4.822 1.821 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -14.905 -5.454 3.221 1.00 1.54 H new ATOM 827 N PRO A 71 -15.205 -10.296 2.492 1.00 1.06 N ATOM 828 CA PRO A 71 -15.203 -11.705 2.094 1.00 1.11 C ATOM 829 C PRO A 71 -15.144 -11.899 0.578 1.00 1.05 C ATOM 830 O PRO A 71 -14.423 -12.761 0.083 1.00 1.09 O ATOM 831 CB PRO A 71 -16.524 -12.235 2.654 1.00 1.28 C ATOM 832 CG PRO A 71 -17.418 -11.048 2.755 1.00 1.30 C ATOM 833 CD PRO A 71 -16.527 -9.857 2.985 1.00 1.18 C ATOM 0 HA PRO A 71 -14.323 -12.226 2.470 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -16.952 -12.994 1.999 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -16.378 -12.701 3.629 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -18.002 -10.924 1.843 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -18.127 -11.166 3.575 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -16.884 -8.981 2.443 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -16.489 -9.585 4.040 1.00 1.18 H new ATOM 841 N ASP A 72 -15.884 -11.080 -0.156 1.00 1.04 N ATOM 842 CA ASP A 72 -15.975 -11.225 -1.607 1.00 1.07 C ATOM 843 C ASP A 72 -14.932 -10.366 -2.310 1.00 0.94 C ATOM 844 O ASP A 72 -15.106 -9.961 -3.461 1.00 0.95 O ATOM 845 CB ASP A 72 -17.375 -10.849 -2.085 1.00 1.24 C ATOM 846 CG ASP A 72 -17.980 -11.900 -2.991 1.00 1.49 C ATOM 847 OD1 ASP A 72 -18.006 -13.081 -2.598 1.00 1.93 O ATOM 848 OD2 ASP A 72 -18.427 -11.551 -4.105 1.00 1.97 O ATOM 0 H ASP A 72 -16.431 -10.308 0.226 1.00 1.04 H new ATOM 0 HA ASP A 72 -15.780 -12.268 -1.857 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -18.023 -10.702 -1.221 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -17.331 -9.898 -2.616 1.00 1.24 H new ATOM 853 N TYR A 73 -13.844 -10.099 -1.607 1.00 0.87 N ATOM 854 CA TYR A 73 -12.767 -9.271 -2.130 1.00 0.79 C ATOM 855 C TYR A 73 -12.002 -9.975 -3.249 1.00 0.74 C ATOM 856 O TYR A 73 -11.876 -9.449 -4.357 1.00 0.73 O ATOM 857 CB TYR A 73 -11.799 -8.920 -1.005 1.00 0.78 C ATOM 858 CG TYR A 73 -11.338 -7.486 -1.026 1.00 0.73 C ATOM 859 CD1 TYR A 73 -12.240 -6.448 -0.853 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.002 -7.170 -1.223 1.00 0.80 C ATOM 861 CE1 TYR A 73 -11.826 -5.133 -0.876 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.579 -5.859 -1.247 1.00 0.90 C ATOM 863 CZ TYR A 73 -10.488 -4.849 -1.057 1.00 0.94 C ATOM 864 OH TYR A 73 -10.074 -3.543 -1.096 1.00 1.13 O ATOM 0 H TYR A 73 -13.681 -10.447 -0.662 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.215 -8.367 -2.542 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -12.279 -9.124 -0.048 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -10.929 -9.573 -1.070 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -13.285 -6.673 -0.698 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -9.282 -7.964 -1.360 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -12.542 -4.334 -0.754 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.537 -5.628 -1.414 1.00 0.90 H new ATOM 0 HH TYR A 73 -10.109 -3.216 -2.019 1.00 1.13 H new ATOM 874 N HIS A 74 -11.527 -11.181 -2.955 1.00 0.79 N ATOM 875 CA HIS A 74 -10.613 -11.903 -3.848 1.00 0.80 C ATOM 876 C HIS A 74 -11.327 -12.461 -5.079 1.00 0.85 C ATOM 877 O HIS A 74 -10.725 -13.159 -5.896 1.00 0.91 O ATOM 878 CB HIS A 74 -9.920 -13.047 -3.094 1.00 0.89 C ATOM 879 CG HIS A 74 -9.457 -12.679 -1.714 1.00 0.79 C ATOM 880 ND1 HIS A 74 -8.249 -12.061 -1.497 1.00 0.91 N ATOM 881 CD2 HIS A 74 -10.081 -12.855 -0.523 1.00 0.91 C ATOM 882 CE1 HIS A 74 -8.168 -11.872 -0.190 1.00 0.78 C ATOM 883 NE2 HIS A 74 -9.254 -12.339 0.440 1.00 0.82 N ATOM 0 H HIS A 74 -11.759 -11.686 -2.100 1.00 0.79 H new ATOM 0 HA HIS A 74 -9.870 -11.183 -4.191 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -10.608 -13.890 -3.022 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -9.062 -13.384 -3.676 1.00 0.89 H new ATOM 0 HD1 HIS A 74 -7.557 -11.801 -2.200 1.00 0.91 H new ATOM 0 HD2 HIS A 74 -11.046 -13.314 -0.364 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -7.332 -11.401 0.306 1.00 0.78 H new ATOM 891 N LYS A 75 -12.604 -12.138 -5.219 1.00 0.89 N ATOM 892 CA LYS A 75 -13.385 -12.592 -6.355 1.00 0.97 C ATOM 893 C LYS A 75 -13.248 -11.600 -7.496 1.00 0.92 C ATOM 894 O LYS A 75 -13.466 -11.936 -8.661 1.00 1.11 O ATOM 895 CB LYS A 75 -14.856 -12.748 -5.966 1.00 1.09 C ATOM 896 CG LYS A 75 -15.094 -13.797 -4.894 1.00 1.20 C ATOM 897 CD LYS A 75 -16.278 -14.682 -5.243 1.00 1.68 C ATOM 898 CE LYS A 75 -16.393 -15.857 -4.289 1.00 2.05 C ATOM 899 NZ LYS A 75 -17.399 -15.613 -3.223 1.00 2.86 N ATOM 0 H LYS A 75 -13.121 -11.561 -4.556 1.00 0.89 H new ATOM 0 HA LYS A 75 -13.010 -13.564 -6.676 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -15.234 -11.788 -5.613 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -15.432 -13.010 -6.853 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -14.200 -14.410 -4.777 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -15.272 -13.308 -3.936 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -17.195 -14.094 -5.210 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -16.171 -15.049 -6.264 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -16.667 -16.752 -4.848 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -15.422 -16.050 -3.833 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -16.985 -15.839 -2.296 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -17.686 -14.614 -3.239 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -18.231 -16.215 -3.387 1.00 2.86 H new ATOM 913 N ILE A 76 -12.879 -10.375 -7.151 1.00 0.78 N ATOM 914 CA ILE A 76 -12.721 -9.323 -8.136 1.00 0.77 C ATOM 915 C ILE A 76 -11.308 -8.748 -8.080 1.00 0.69 C ATOM 916 O ILE A 76 -10.640 -8.621 -9.107 1.00 0.78 O ATOM 917 CB ILE A 76 -13.769 -8.196 -7.937 1.00 0.82 C ATOM 918 CG1 ILE A 76 -15.158 -8.685 -8.363 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.384 -6.949 -8.724 1.00 0.87 C ATOM 920 CD1 ILE A 76 -16.051 -9.089 -7.208 1.00 1.00 C ATOM 0 H ILE A 76 -12.684 -10.088 -6.192 1.00 0.78 H new ATOM 0 HA ILE A 76 -12.886 -9.763 -9.120 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.794 -7.936 -6.879 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -15.651 -7.896 -8.931 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -15.042 -9.536 -9.034 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -14.134 -6.174 -8.568 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.414 -6.589 -8.383 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.328 -7.191 -9.785 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -17.015 -9.423 -7.593 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.582 -9.900 -6.652 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -16.200 -8.235 -6.547 1.00 1.00 H new ATOM 932 N ILE A 77 -10.845 -8.426 -6.881 1.00 0.58 N ATOM 933 CA ILE A 77 -9.514 -7.864 -6.711 1.00 0.53 C ATOM 934 C ILE A 77 -8.473 -8.978 -6.670 1.00 0.64 C ATOM 935 O ILE A 77 -8.571 -9.906 -5.866 1.00 0.75 O ATOM 936 CB ILE A 77 -9.413 -6.996 -5.435 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.488 -5.901 -5.446 1.00 0.47 C ATOM 938 CG2 ILE A 77 -8.027 -6.378 -5.310 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.462 -5.032 -6.688 1.00 0.50 C ATOM 0 H ILE A 77 -11.370 -8.544 -6.014 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.319 -7.217 -7.567 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.579 -7.639 -4.571 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.470 -6.367 -5.360 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.358 -5.268 -4.568 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -7.979 -5.772 -4.405 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.279 -7.169 -5.257 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.829 -5.750 -6.179 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -11.250 -4.282 -6.624 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.494 -4.536 -6.765 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.623 -5.652 -7.570 1.00 0.50 H new ATOM 951 N LYS A 78 -7.490 -8.884 -7.554 1.00 0.74 N ATOM 952 CA LYS A 78 -6.469 -9.915 -7.678 1.00 0.90 C ATOM 953 C LYS A 78 -5.444 -9.800 -6.562 1.00 0.73 C ATOM 954 O LYS A 78 -5.059 -10.801 -5.956 1.00 0.72 O ATOM 955 CB LYS A 78 -5.777 -9.812 -9.037 1.00 1.16 C ATOM 956 CG LYS A 78 -6.723 -9.976 -10.217 1.00 1.45 C ATOM 957 CD LYS A 78 -7.342 -11.365 -10.248 1.00 1.67 C ATOM 958 CE LYS A 78 -8.855 -11.304 -10.401 1.00 1.72 C ATOM 959 NZ LYS A 78 -9.396 -12.540 -11.020 1.00 1.99 N ATOM 0 H LYS A 78 -7.378 -8.101 -8.198 1.00 0.74 H new ATOM 0 HA LYS A 78 -6.956 -10.887 -7.599 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -5.282 -8.844 -9.111 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -4.999 -10.573 -9.098 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -7.512 -9.226 -10.159 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -6.182 -9.797 -11.146 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -6.916 -11.935 -11.073 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -7.090 -11.896 -9.330 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -9.314 -11.156 -9.423 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -9.124 -10.443 -11.013 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -10.429 -12.461 -11.108 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -8.977 -12.668 -11.963 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -9.161 -13.359 -10.423 1.00 1.99 H new ATOM 973 N ASN A 79 -5.004 -8.580 -6.296 1.00 0.67 N ATOM 974 CA ASN A 79 -4.027 -8.336 -5.247 1.00 0.56 C ATOM 975 C ASN A 79 -4.656 -7.531 -4.116 1.00 0.54 C ATOM 976 O ASN A 79 -4.760 -6.305 -4.196 1.00 0.52 O ATOM 977 CB ASN A 79 -2.808 -7.597 -5.809 1.00 0.60 C ATOM 978 CG ASN A 79 -1.766 -8.541 -6.383 1.00 1.09 C ATOM 979 OD1 ASN A 79 -1.498 -9.608 -5.824 1.00 2.05 O ATOM 980 ND2 ASN A 79 -1.176 -8.157 -7.503 1.00 1.28 N ATOM 0 H ASN A 79 -5.308 -7.743 -6.793 1.00 0.67 H new ATOM 0 HA ASN A 79 -3.697 -9.297 -4.852 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -3.134 -6.905 -6.586 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -2.355 -6.998 -5.019 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -0.470 -8.751 -7.937 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -1.427 -7.267 -7.932 1.00 1.28 H new ATOM 987 N PRO A 80 -5.091 -8.216 -3.049 1.00 0.58 N ATOM 988 CA PRO A 80 -5.740 -7.574 -1.900 1.00 0.60 C ATOM 989 C PRO A 80 -4.740 -6.838 -1.009 1.00 0.55 C ATOM 990 O PRO A 80 -4.323 -7.345 0.032 1.00 0.64 O ATOM 991 CB PRO A 80 -6.359 -8.754 -1.152 1.00 0.70 C ATOM 992 CG PRO A 80 -5.492 -9.915 -1.480 1.00 0.89 C ATOM 993 CD PRO A 80 -4.986 -9.678 -2.875 1.00 0.67 C ATOM 0 HA PRO A 80 -6.461 -6.815 -2.202 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.384 -8.571 -0.078 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -7.387 -8.927 -1.470 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -4.665 -9.995 -0.774 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -6.052 -10.848 -1.422 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -3.958 -10.021 -2.990 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -5.585 -10.212 -3.613 1.00 0.67 H new ATOM 1001 N MET A 81 -4.349 -5.647 -1.430 1.00 0.46 N ATOM 1002 CA MET A 81 -3.357 -4.869 -0.703 1.00 0.43 C ATOM 1003 C MET A 81 -3.942 -3.546 -0.244 1.00 0.43 C ATOM 1004 O MET A 81 -4.846 -2.991 -0.876 1.00 0.55 O ATOM 1005 CB MET A 81 -2.120 -4.636 -1.572 1.00 0.44 C ATOM 1006 CG MET A 81 -1.672 -5.877 -2.330 1.00 0.74 C ATOM 1007 SD MET A 81 -0.342 -6.768 -1.496 1.00 0.82 S ATOM 1008 CE MET A 81 -1.221 -8.217 -0.915 1.00 0.70 C ATOM 0 H MET A 81 -4.704 -5.196 -2.273 1.00 0.46 H new ATOM 0 HA MET A 81 -3.059 -5.434 0.180 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.331 -3.840 -2.286 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.302 -4.290 -0.941 1.00 0.44 H new ATOM 0 HG2 MET A 81 -2.524 -6.544 -2.460 1.00 0.74 H new ATOM 0 HG3 MET A 81 -1.339 -5.587 -3.327 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.504 -8.983 -0.619 1.00 0.70 H new ATOM 0 HE2 MET A 81 -1.840 -7.948 -0.059 1.00 0.70 H new ATOM 0 HE3 MET A 81 -1.855 -8.603 -1.714 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.403 -3.052 0.851 1.00 0.37 N ATOM 1019 CA ASP A 82 -3.913 -1.863 1.510 1.00 0.36 C ATOM 1020 C ASP A 82 -2.753 -0.922 1.833 1.00 0.35 C ATOM 1021 O ASP A 82 -2.124 -0.385 0.929 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.680 -2.253 2.784 1.00 0.38 C ATOM 1023 CG ASP A 82 -3.925 -3.252 3.642 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -3.932 -4.459 3.316 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.298 -2.823 4.630 1.00 1.32 O ATOM 0 H ASP A 82 -2.593 -3.465 1.314 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.606 -1.346 0.846 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -4.881 -1.356 3.370 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.646 -2.676 2.506 1.00 0.38 H new ATOM 1030 N MET A 83 -2.457 -0.728 3.109 1.00 0.27 N ATOM 1031 CA MET A 83 -1.309 0.078 3.499 1.00 0.26 C ATOM 1032 C MET A 83 -0.474 -0.648 4.545 1.00 0.25 C ATOM 1033 O MET A 83 0.721 -0.384 4.694 1.00 0.26 O ATOM 1034 CB MET A 83 -1.751 1.441 4.031 1.00 0.31 C ATOM 1035 CG MET A 83 -0.908 2.592 3.507 1.00 0.43 C ATOM 1036 SD MET A 83 -0.752 3.940 4.692 1.00 0.80 S ATOM 1037 CE MET A 83 -2.474 4.269 5.067 1.00 0.38 C ATOM 0 H MET A 83 -2.991 -1.114 3.888 1.00 0.27 H new ATOM 0 HA MET A 83 -0.697 0.238 2.612 1.00 0.26 H new ATOM 0 HB2 MET A 83 -2.793 1.609 3.759 1.00 0.31 H new ATOM 0 HB3 MET A 83 -1.704 1.431 5.120 1.00 0.31 H new ATOM 0 HG2 MET A 83 0.085 2.222 3.252 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.352 2.973 2.587 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.616 5.340 5.214 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.098 3.930 4.240 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.757 3.737 5.976 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.095 -1.592 5.240 1.00 0.26 N ATOM 1048 CA GLY A 84 -0.391 -2.349 6.246 1.00 0.29 C ATOM 1049 C GLY A 84 0.389 -3.468 5.608 1.00 0.26 C ATOM 1050 O GLY A 84 1.469 -3.837 6.072 1.00 0.32 O ATOM 0 H GLY A 84 -2.076 -1.844 5.122 1.00 0.26 H new ATOM 0 HA2 GLY A 84 0.284 -1.694 6.797 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.100 -2.756 6.967 1.00 0.29 H new ATOM 1054 N THR A 85 -0.164 -3.998 4.529 1.00 0.24 N ATOM 1055 CA THR A 85 0.507 -5.013 3.746 1.00 0.25 C ATOM 1056 C THR A 85 1.691 -4.408 3.011 1.00 0.26 C ATOM 1057 O THR A 85 2.731 -5.048 2.842 1.00 0.32 O ATOM 1058 CB THR A 85 -0.462 -5.645 2.731 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.460 -4.680 2.357 1.00 0.95 O ATOM 1060 CG2 THR A 85 -1.136 -6.876 3.316 1.00 0.84 C ATOM 0 H THR A 85 -1.085 -3.736 4.176 1.00 0.24 H new ATOM 0 HA THR A 85 0.861 -5.789 4.424 1.00 0.25 H new ATOM 0 HB THR A 85 0.107 -5.950 1.853 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.337 -4.973 2.683 1.00 0.95 H new ATOM 0 HG21 THR A 85 -1.816 -7.304 2.579 1.00 0.84 H new ATOM 0 HG22 THR A 85 -0.379 -7.613 3.582 1.00 0.84 H new ATOM 0 HG23 THR A 85 -1.698 -6.595 4.207 1.00 0.84 H new ATOM 1068 N ILE A 86 1.520 -3.161 2.592 1.00 0.27 N ATOM 1069 CA ILE A 86 2.584 -2.401 1.956 1.00 0.31 C ATOM 1070 C ILE A 86 3.800 -2.344 2.867 1.00 0.29 C ATOM 1071 O ILE A 86 4.873 -2.847 2.533 1.00 0.32 O ATOM 1072 CB ILE A 86 2.130 -0.958 1.648 1.00 0.36 C ATOM 1073 CG1 ILE A 86 0.847 -0.949 0.813 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.235 -0.182 0.950 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.953 -1.691 -0.501 1.00 0.97 C ATOM 0 H ILE A 86 0.642 -2.650 2.684 1.00 0.27 H new ATOM 0 HA ILE A 86 2.836 -2.903 1.022 1.00 0.31 H new ATOM 0 HB ILE A 86 1.915 -0.465 2.596 1.00 0.36 H new ATOM 0 HG12 ILE A 86 0.042 -1.389 1.401 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.566 0.085 0.611 1.00 0.55 H new ATOM 0 HG21 ILE A 86 2.893 0.832 0.743 1.00 0.36 H new ATOM 0 HG22 ILE A 86 4.115 -0.144 1.593 1.00 0.36 H new ATOM 0 HG23 ILE A 86 3.491 -0.677 0.013 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.001 -1.635 -1.028 1.00 0.97 H new ATOM 0 HD12 ILE A 86 1.734 -1.238 -1.112 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.201 -2.735 -0.310 1.00 0.97 H new ATOM 1087 N LYS A 87 3.607 -1.752 4.038 1.00 0.29 N ATOM 1088 CA LYS A 87 4.681 -1.611 5.003 1.00 0.34 C ATOM 1089 C LYS A 87 5.203 -2.972 5.468 1.00 0.34 C ATOM 1090 O LYS A 87 6.378 -3.098 5.798 1.00 0.38 O ATOM 1091 CB LYS A 87 4.224 -0.753 6.193 1.00 0.41 C ATOM 1092 CG LYS A 87 3.634 -1.540 7.353 1.00 0.49 C ATOM 1093 CD LYS A 87 3.572 -0.701 8.618 1.00 0.69 C ATOM 1094 CE LYS A 87 3.375 -1.567 9.851 1.00 1.08 C ATOM 1095 NZ LYS A 87 4.602 -1.641 10.688 1.00 1.15 N ATOM 0 H LYS A 87 2.714 -1.362 4.340 1.00 0.29 H new ATOM 0 HA LYS A 87 5.510 -1.101 4.511 1.00 0.34 H new ATOM 0 HB2 LYS A 87 5.075 -0.178 6.557 1.00 0.41 H new ATOM 0 HB3 LYS A 87 3.481 -0.036 5.843 1.00 0.41 H new ATOM 0 HG2 LYS A 87 2.632 -1.881 7.091 1.00 0.49 H new ATOM 0 HG3 LYS A 87 4.236 -2.430 7.534 1.00 0.49 H new ATOM 0 HD2 LYS A 87 4.492 -0.125 8.720 1.00 0.69 H new ATOM 0 HD3 LYS A 87 2.754 0.016 8.541 1.00 0.69 H new ATOM 0 HE2 LYS A 87 2.555 -1.167 10.447 1.00 1.08 H new ATOM 0 HE3 LYS A 87 3.085 -2.572 9.544 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 4.574 -2.503 11.270 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 5.441 -1.665 10.073 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 4.651 -0.807 11.307 1.00 1.15 H new ATOM 1109 N LYS A 88 4.348 -3.999 5.461 1.00 0.35 N ATOM 1110 CA LYS A 88 4.771 -5.322 5.904 1.00 0.39 C ATOM 1111 C LYS A 88 5.860 -5.868 4.985 1.00 0.41 C ATOM 1112 O LYS A 88 6.856 -6.412 5.449 1.00 0.46 O ATOM 1113 CB LYS A 88 3.589 -6.293 5.948 1.00 0.42 C ATOM 1114 CG LYS A 88 3.901 -7.598 6.665 1.00 0.73 C ATOM 1115 CD LYS A 88 2.637 -8.294 7.141 1.00 1.26 C ATOM 1116 CE LYS A 88 2.937 -9.688 7.675 1.00 1.68 C ATOM 1117 NZ LYS A 88 1.776 -10.269 8.398 1.00 2.46 N ATOM 0 H LYS A 88 3.376 -3.938 5.158 1.00 0.35 H new ATOM 0 HA LYS A 88 5.172 -5.224 6.913 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.749 -5.807 6.444 1.00 0.42 H new ATOM 0 HB3 LYS A 88 3.273 -6.514 4.929 1.00 0.42 H new ATOM 0 HG2 LYS A 88 4.450 -8.259 5.995 1.00 0.73 H new ATOM 0 HG3 LYS A 88 4.550 -7.399 7.518 1.00 0.73 H new ATOM 0 HD2 LYS A 88 2.164 -7.698 7.921 1.00 1.26 H new ATOM 0 HD3 LYS A 88 1.926 -8.363 6.318 1.00 1.26 H new ATOM 0 HE2 LYS A 88 3.213 -10.342 6.847 1.00 1.68 H new ATOM 0 HE3 LYS A 88 3.796 -9.643 8.345 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 2.023 -11.218 8.745 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 1.528 -9.659 9.203 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 0.964 -10.337 7.752 1.00 2.46 H new ATOM 1131 N ARG A 89 5.682 -5.687 3.684 1.00 0.40 N ATOM 1132 CA ARG A 89 6.621 -6.201 2.697 1.00 0.44 C ATOM 1133 C ARG A 89 7.895 -5.365 2.677 1.00 0.43 C ATOM 1134 O ARG A 89 8.960 -5.842 2.278 1.00 0.48 O ATOM 1135 CB ARG A 89 5.971 -6.212 1.318 1.00 0.47 C ATOM 1136 CG ARG A 89 4.701 -7.041 1.269 1.00 0.68 C ATOM 1137 CD ARG A 89 4.804 -8.142 0.234 1.00 0.64 C ATOM 1138 NE ARG A 89 4.735 -7.610 -1.124 1.00 0.59 N ATOM 1139 CZ ARG A 89 3.635 -7.633 -1.874 1.00 0.78 C ATOM 1140 NH1 ARG A 89 2.524 -8.198 -1.417 1.00 1.16 N ATOM 1141 NH2 ARG A 89 3.643 -7.087 -3.076 1.00 1.03 N ATOM 0 H ARG A 89 4.889 -5.184 3.285 1.00 0.40 H new ATOM 0 HA ARG A 89 6.889 -7.221 2.971 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.742 -5.188 1.022 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.682 -6.603 0.590 1.00 0.47 H new ATOM 0 HG2 ARG A 89 4.510 -7.477 2.250 1.00 0.68 H new ATOM 0 HG3 ARG A 89 3.853 -6.398 1.036 1.00 0.68 H new ATOM 0 HD2 ARG A 89 5.742 -8.681 0.367 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.999 -8.861 0.385 1.00 0.64 H new ATOM 0 HE ARG A 89 5.579 -7.197 -1.521 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.510 -8.617 -0.487 1.00 1.16 H new ATOM 0 HH12 ARG A 89 1.684 -8.213 -1.996 1.00 1.16 H new ATOM 0 HH21 ARG A 89 4.492 -6.647 -3.431 1.00 1.03 H new ATOM 0 HH22 ARG A 89 2.800 -7.105 -3.650 1.00 1.03 H new ATOM 1155 N LEU A 90 7.774 -4.120 3.112 1.00 0.40 N ATOM 1156 CA LEU A 90 8.916 -3.224 3.205 1.00 0.41 C ATOM 1157 C LEU A 90 9.784 -3.583 4.404 1.00 0.44 C ATOM 1158 O LEU A 90 10.988 -3.805 4.268 1.00 0.49 O ATOM 1159 CB LEU A 90 8.444 -1.776 3.332 1.00 0.39 C ATOM 1160 CG LEU A 90 8.184 -1.059 2.009 1.00 0.38 C ATOM 1161 CD1 LEU A 90 7.061 -0.048 2.166 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.450 -0.378 1.510 1.00 0.45 C ATOM 0 H LEU A 90 6.890 -3.705 3.408 1.00 0.40 H new ATOM 0 HA LEU A 90 9.507 -3.332 2.296 1.00 0.41 H new ATOM 0 HB2 LEU A 90 7.528 -1.760 3.922 1.00 0.39 H new ATOM 0 HB3 LEU A 90 9.193 -1.214 3.890 1.00 0.39 H new ATOM 0 HG LEU A 90 7.881 -1.800 1.270 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.888 0.454 1.214 1.00 0.38 H new ATOM 0 HD12 LEU A 90 6.151 -0.561 2.476 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.338 0.689 2.920 1.00 0.38 H new ATOM 0 HD21 LEU A 90 9.244 0.127 0.566 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.785 0.352 2.247 1.00 0.45 H new ATOM 0 HD23 LEU A 90 10.229 -1.125 1.359 1.00 0.45 H new ATOM 1174 N GLU A 91 9.158 -3.655 5.575 1.00 0.45 N ATOM 1175 CA GLU A 91 9.874 -3.923 6.819 1.00 0.50 C ATOM 1176 C GLU A 91 10.388 -5.359 6.854 1.00 0.54 C ATOM 1177 O GLU A 91 11.483 -5.624 7.346 1.00 0.64 O ATOM 1178 CB GLU A 91 8.970 -3.658 8.028 1.00 0.53 C ATOM 1179 CG GLU A 91 8.291 -2.297 7.994 1.00 0.76 C ATOM 1180 CD GLU A 91 7.891 -1.804 9.372 1.00 0.94 C ATOM 1181 OE1 GLU A 91 8.585 -2.136 10.356 1.00 1.39 O ATOM 1182 OE2 GLU A 91 6.877 -1.080 9.477 1.00 1.23 O ATOM 0 H GLU A 91 8.152 -3.531 5.689 1.00 0.45 H new ATOM 0 HA GLU A 91 10.730 -3.250 6.865 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.207 -4.434 8.077 1.00 0.53 H new ATOM 0 HB3 GLU A 91 9.563 -3.736 8.939 1.00 0.53 H new ATOM 0 HG2 GLU A 91 8.963 -1.572 7.535 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.405 -2.354 7.362 1.00 0.76 H new ATOM 1189 N ASN A 92 9.599 -6.281 6.318 1.00 0.51 N ATOM 1190 CA ASN A 92 9.986 -7.691 6.287 1.00 0.57 C ATOM 1191 C ASN A 92 10.985 -7.954 5.167 1.00 0.60 C ATOM 1192 O ASN A 92 11.580 -9.032 5.099 1.00 0.68 O ATOM 1193 CB ASN A 92 8.757 -8.582 6.108 1.00 0.60 C ATOM 1194 CG ASN A 92 8.872 -9.887 6.866 1.00 0.69 C ATOM 1195 OD1 ASN A 92 8.866 -9.910 8.097 1.00 1.00 O ATOM 1196 ND2 ASN A 92 8.971 -10.982 6.135 1.00 1.30 N ATOM 0 H ASN A 92 8.690 -6.082 5.900 1.00 0.51 H new ATOM 0 HA ASN A 92 10.459 -7.930 7.239 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.871 -8.046 6.447 1.00 0.60 H new ATOM 0 HB3 ASN A 92 8.616 -8.792 5.048 1.00 0.60 H new ATOM 0 HD21 ASN A 92 9.046 -11.893 6.588 1.00 1.30 H new ATOM 0 HD22 ASN A 92 8.972 -10.917 5.117 1.00 1.30 H new ATOM 1203 N ASN A 93 11.150 -6.958 4.295 1.00 0.58 N ATOM 1204 CA ASN A 93 12.119 -7.012 3.201 1.00 0.62 C ATOM 1205 C ASN A 93 11.791 -8.136 2.220 1.00 0.66 C ATOM 1206 O ASN A 93 12.503 -9.138 2.135 1.00 0.77 O ATOM 1207 CB ASN A 93 13.539 -7.169 3.753 1.00 0.70 C ATOM 1208 CG ASN A 93 14.596 -6.631 2.813 1.00 0.87 C ATOM 1209 OD1 ASN A 93 15.602 -7.289 2.554 1.00 1.75 O ATOM 1210 ND2 ASN A 93 14.385 -5.425 2.312 1.00 1.22 N ATOM 0 H ASN A 93 10.615 -6.090 4.328 1.00 0.58 H new ATOM 0 HA ASN A 93 12.061 -6.071 2.654 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.612 -6.651 4.709 1.00 0.70 H new ATOM 0 HB3 ASN A 93 13.734 -8.224 3.947 1.00 0.70 H new ATOM 0 HD21 ASN A 93 15.071 -5.006 1.684 1.00 1.22 H new ATOM 0 HD22 ASN A 93 13.536 -4.914 2.553 1.00 1.22 H new ATOM 1217 N TYR A 94 10.695 -7.965 1.490 1.00 0.61 N ATOM 1218 CA TYR A 94 10.269 -8.953 0.514 1.00 0.67 C ATOM 1219 C TYR A 94 11.060 -8.819 -0.788 1.00 0.70 C ATOM 1220 O TYR A 94 11.540 -9.812 -1.332 1.00 0.79 O ATOM 1221 CB TYR A 94 8.770 -8.821 0.245 1.00 0.71 C ATOM 1222 CG TYR A 94 8.262 -9.735 -0.845 1.00 0.71 C ATOM 1223 CD1 TYR A 94 8.717 -11.034 -0.936 1.00 0.77 C ATOM 1224 CD2 TYR A 94 7.330 -9.296 -1.776 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.260 -11.884 -1.923 1.00 0.83 C ATOM 1226 CE2 TYR A 94 6.860 -10.136 -2.767 1.00 0.81 C ATOM 1227 CZ TYR A 94 7.326 -11.397 -2.866 1.00 0.85 C ATOM 1228 OH TYR A 94 6.861 -12.287 -3.811 1.00 0.96 O ATOM 0 H TYR A 94 10.086 -7.149 1.558 1.00 0.61 H new ATOM 0 HA TYR A 94 10.466 -9.943 0.926 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.226 -9.032 1.166 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.549 -7.789 -0.027 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.444 -11.392 -0.222 1.00 0.77 H new ATOM 0 HD2 TYR A 94 6.966 -8.280 -1.725 1.00 0.74 H new ATOM 0 HE1 TYR A 94 8.610 -12.904 -1.974 1.00 0.83 H new ATOM 0 HE2 TYR A 94 6.116 -9.781 -3.465 1.00 0.81 H new ATOM 0 HH TYR A 94 6.224 -11.834 -4.402 1.00 0.96 H new ATOM 1238 N TYR A 95 11.187 -7.599 -1.287 1.00 0.77 N ATOM 1239 CA TYR A 95 11.921 -7.362 -2.526 1.00 0.88 C ATOM 1240 C TYR A 95 13.132 -6.474 -2.281 1.00 0.75 C ATOM 1241 O TYR A 95 13.444 -6.128 -1.140 1.00 1.04 O ATOM 1242 CB TYR A 95 11.036 -6.733 -3.618 1.00 1.17 C ATOM 1243 CG TYR A 95 9.682 -6.241 -3.157 1.00 0.95 C ATOM 1244 CD1 TYR A 95 9.562 -5.252 -2.188 1.00 1.05 C ATOM 1245 CD2 TYR A 95 8.522 -6.762 -3.708 1.00 0.92 C ATOM 1246 CE1 TYR A 95 8.322 -4.802 -1.781 1.00 1.09 C ATOM 1247 CE2 TYR A 95 7.280 -6.315 -3.309 1.00 0.96 C ATOM 1248 CZ TYR A 95 7.185 -5.338 -2.345 1.00 1.04 C ATOM 1249 OH TYR A 95 5.948 -4.898 -1.946 1.00 1.28 O ATOM 0 H TYR A 95 10.795 -6.761 -0.858 1.00 0.77 H new ATOM 0 HA TYR A 95 12.252 -8.338 -2.880 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.576 -5.896 -4.061 1.00 1.17 H new ATOM 0 HB3 TYR A 95 10.886 -7.469 -4.408 1.00 1.17 H new ATOM 0 HD1 TYR A 95 10.452 -4.829 -1.747 1.00 1.05 H new ATOM 0 HD2 TYR A 95 8.592 -7.531 -4.463 1.00 0.92 H new ATOM 0 HE1 TYR A 95 8.244 -4.035 -1.025 1.00 1.09 H new ATOM 0 HE2 TYR A 95 6.386 -6.730 -3.751 1.00 0.96 H new ATOM 0 HH TYR A 95 5.324 -4.950 -2.700 1.00 1.28 H new ATOM 1259 N TRP A 96 13.794 -6.105 -3.367 1.00 0.72 N ATOM 1260 CA TRP A 96 15.023 -5.332 -3.309 1.00 0.65 C ATOM 1261 C TRP A 96 14.786 -3.921 -2.783 1.00 0.61 C ATOM 1262 O TRP A 96 15.225 -3.572 -1.689 1.00 0.64 O ATOM 1263 CB TRP A 96 15.643 -5.261 -4.705 1.00 0.68 C ATOM 1264 CG TRP A 96 17.098 -4.927 -4.702 1.00 0.72 C ATOM 1265 CD1 TRP A 96 17.687 -3.830 -4.151 1.00 0.70 C ATOM 1266 CD2 TRP A 96 18.148 -5.692 -5.295 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.044 -3.885 -4.337 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.351 -5.014 -5.045 1.00 0.86 C ATOM 1269 CE3 TRP A 96 18.184 -6.892 -6.003 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 20.582 -5.493 -5.482 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 19.406 -7.368 -6.441 1.00 1.03 C ATOM 1272 CH2 TRP A 96 20.591 -6.670 -6.178 1.00 1.05 C ATOM 0 H TRP A 96 13.493 -6.334 -4.314 1.00 0.72 H new ATOM 0 HA TRP A 96 15.701 -5.833 -2.618 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.501 -6.219 -5.205 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.109 -4.513 -5.292 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.163 -3.034 -3.643 1.00 0.70 H new ATOM 0 HE1 TRP A 96 19.716 -3.195 -4.001 1.00 0.79 H new ATOM 0 HE3 TRP A 96 17.275 -7.439 -6.206 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.496 -4.955 -5.279 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 19.447 -8.294 -6.995 1.00 1.03 H new ATOM 0 HH2 TRP A 96 21.530 -7.069 -6.532 1.00 1.05 H new ATOM 1283 N SER A 97 14.094 -3.116 -3.573 1.00 0.60 N ATOM 1284 CA SER A 97 13.949 -1.704 -3.278 1.00 0.56 C ATOM 1285 C SER A 97 12.483 -1.309 -3.132 1.00 0.54 C ATOM 1286 O SER A 97 11.580 -2.070 -3.488 1.00 0.55 O ATOM 1287 CB SER A 97 14.597 -0.889 -4.392 1.00 0.58 C ATOM 1288 OG SER A 97 16.000 -1.090 -4.431 1.00 1.00 O ATOM 0 H SER A 97 13.623 -3.420 -4.425 1.00 0.60 H new ATOM 0 HA SER A 97 14.443 -1.499 -2.328 1.00 0.56 H new ATOM 0 HB2 SER A 97 14.161 -1.169 -5.351 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.384 0.169 -4.242 1.00 0.58 H new ATOM 0 HG SER A 97 16.451 -0.334 -4.001 1.00 1.00 H new ATOM 1294 N ALA A 98 12.258 -0.102 -2.625 1.00 0.54 N ATOM 1295 CA ALA A 98 10.909 0.414 -2.422 1.00 0.56 C ATOM 1296 C ALA A 98 10.210 0.677 -3.750 1.00 0.52 C ATOM 1297 O ALA A 98 8.989 0.814 -3.806 1.00 0.53 O ATOM 1298 CB ALA A 98 10.949 1.686 -1.593 1.00 0.66 C ATOM 0 H ALA A 98 12.998 0.542 -2.345 1.00 0.54 H new ATOM 0 HA ALA A 98 10.340 -0.345 -1.885 1.00 0.56 H new ATOM 0 HB1 ALA A 98 9.935 2.059 -1.450 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.398 1.474 -0.623 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.543 2.439 -2.111 1.00 0.66 H new ATOM 1304 N SER A 99 10.989 0.745 -4.819 1.00 0.52 N ATOM 1305 CA SER A 99 10.455 0.978 -6.151 1.00 0.54 C ATOM 1306 C SER A 99 9.494 -0.141 -6.560 1.00 0.48 C ATOM 1307 O SER A 99 8.586 0.072 -7.362 1.00 0.50 O ATOM 1308 CB SER A 99 11.612 1.090 -7.138 1.00 0.62 C ATOM 1309 OG SER A 99 12.851 1.173 -6.447 1.00 0.85 O ATOM 0 H SER A 99 12.003 0.641 -4.788 1.00 0.52 H new ATOM 0 HA SER A 99 9.888 1.909 -6.153 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.616 0.225 -7.801 1.00 0.62 H new ATOM 0 HB3 SER A 99 11.479 1.972 -7.765 1.00 0.62 H new ATOM 0 HG SER A 99 12.969 2.080 -6.094 1.00 0.85 H new ATOM 1315 N GLU A 100 9.689 -1.325 -5.990 1.00 0.46 N ATOM 1316 CA GLU A 100 8.799 -2.451 -6.239 1.00 0.48 C ATOM 1317 C GLU A 100 7.474 -2.245 -5.510 1.00 0.44 C ATOM 1318 O GLU A 100 6.403 -2.539 -6.039 1.00 0.52 O ATOM 1319 CB GLU A 100 9.460 -3.749 -5.776 1.00 0.56 C ATOM 1320 CG GLU A 100 9.571 -4.797 -6.869 1.00 1.03 C ATOM 1321 CD GLU A 100 10.821 -4.629 -7.711 1.00 1.83 C ATOM 1322 OE1 GLU A 100 11.300 -3.482 -7.849 1.00 2.44 O ATOM 1323 OE2 GLU A 100 11.333 -5.634 -8.241 1.00 2.37 O ATOM 0 H GLU A 100 10.457 -1.529 -5.351 1.00 0.46 H new ATOM 0 HA GLU A 100 8.602 -2.517 -7.309 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.457 -3.524 -5.397 1.00 0.56 H new ATOM 0 HB3 GLU A 100 8.888 -4.162 -4.945 1.00 0.56 H new ATOM 0 HG2 GLU A 100 9.572 -5.789 -6.418 1.00 1.03 H new ATOM 0 HG3 GLU A 100 8.693 -4.740 -7.513 1.00 1.03 H new ATOM 1330 N CYS A 101 7.565 -1.702 -4.302 1.00 0.41 N ATOM 1331 CA CYS A 101 6.390 -1.434 -3.480 1.00 0.44 C ATOM 1332 C CYS A 101 5.568 -0.301 -4.083 1.00 0.38 C ATOM 1333 O CYS A 101 4.380 -0.165 -3.803 1.00 0.38 O ATOM 1334 CB CYS A 101 6.807 -1.080 -2.050 1.00 0.57 C ATOM 1335 SG CYS A 101 6.072 -2.132 -0.776 1.00 0.95 S ATOM 0 H CYS A 101 8.448 -1.436 -3.867 1.00 0.41 H new ATOM 0 HA CYS A 101 5.777 -2.335 -3.451 1.00 0.44 H new ATOM 0 HB2 CYS A 101 7.893 -1.143 -1.975 1.00 0.57 H new ATOM 0 HB3 CYS A 101 6.534 -0.044 -1.851 1.00 0.57 H new ATOM 0 HG CYS A 101 6.208 -3.380 -1.112 1.00 0.95 H new ATOM 1341 N MET A 102 6.216 0.513 -4.912 1.00 0.39 N ATOM 1342 CA MET A 102 5.533 1.587 -5.628 1.00 0.44 C ATOM 1343 C MET A 102 4.395 1.018 -6.465 1.00 0.36 C ATOM 1344 O MET A 102 3.351 1.651 -6.637 1.00 0.39 O ATOM 1345 CB MET A 102 6.514 2.333 -6.535 1.00 0.58 C ATOM 1346 CG MET A 102 7.284 3.436 -5.830 1.00 0.75 C ATOM 1347 SD MET A 102 6.258 4.873 -5.475 1.00 1.02 S ATOM 1348 CE MET A 102 6.664 5.156 -3.756 1.00 1.13 C ATOM 0 H MET A 102 7.216 0.449 -5.105 1.00 0.39 H new ATOM 0 HA MET A 102 5.127 2.285 -4.896 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.223 1.618 -6.953 1.00 0.58 H new ATOM 0 HB3 MET A 102 5.965 2.764 -7.372 1.00 0.58 H new ATOM 0 HG2 MET A 102 7.696 3.049 -4.898 1.00 0.75 H new ATOM 0 HG3 MET A 102 8.127 3.740 -6.450 1.00 0.75 H new ATOM 0 HE1 MET A 102 6.543 6.214 -3.523 1.00 1.13 H new ATOM 0 HE2 MET A 102 6.000 4.567 -3.124 1.00 1.13 H new ATOM 0 HE3 MET A 102 7.697 4.860 -3.573 1.00 1.13 H new ATOM 1358 N GLN A 103 4.604 -0.195 -6.965 1.00 0.34 N ATOM 1359 CA GLN A 103 3.599 -0.878 -7.766 1.00 0.36 C ATOM 1360 C GLN A 103 2.451 -1.343 -6.878 1.00 0.30 C ATOM 1361 O GLN A 103 1.279 -1.247 -7.250 1.00 0.31 O ATOM 1362 CB GLN A 103 4.233 -2.071 -8.491 1.00 0.43 C ATOM 1363 CG GLN A 103 3.234 -2.982 -9.196 1.00 1.36 C ATOM 1364 CD GLN A 103 2.953 -4.264 -8.431 1.00 2.17 C ATOM 1365 OE1 GLN A 103 1.855 -4.817 -8.501 1.00 2.70 O ATOM 1366 NE2 GLN A 103 3.941 -4.756 -7.702 1.00 2.96 N ATOM 0 H GLN A 103 5.464 -0.726 -6.828 1.00 0.34 H new ATOM 0 HA GLN A 103 3.204 -0.186 -8.510 1.00 0.36 H new ATOM 0 HB2 GLN A 103 4.947 -1.697 -9.225 1.00 0.43 H new ATOM 0 HB3 GLN A 103 4.798 -2.661 -7.769 1.00 0.43 H new ATOM 0 HG2 GLN A 103 2.299 -2.441 -9.343 1.00 1.36 H new ATOM 0 HG3 GLN A 103 3.616 -3.233 -10.186 1.00 1.36 H new ATOM 0 HE21 GLN A 103 4.838 -4.272 -7.666 1.00 2.96 H new ATOM 0 HE22 GLN A 103 3.806 -5.619 -7.176 1.00 2.96 H new ATOM 1375 N ASP A 104 2.796 -1.825 -5.692 1.00 0.30 N ATOM 1376 CA ASP A 104 1.809 -2.330 -4.744 1.00 0.32 C ATOM 1377 C ASP A 104 0.990 -1.183 -4.173 1.00 0.29 C ATOM 1378 O ASP A 104 -0.216 -1.312 -3.961 1.00 0.31 O ATOM 1379 CB ASP A 104 2.500 -3.095 -3.619 1.00 0.48 C ATOM 1380 CG ASP A 104 3.134 -4.378 -4.111 1.00 0.88 C ATOM 1381 OD1 ASP A 104 2.403 -5.245 -4.639 1.00 1.87 O ATOM 1382 OD2 ASP A 104 4.369 -4.528 -3.971 1.00 1.09 O ATOM 0 H ASP A 104 3.759 -1.878 -5.361 1.00 0.30 H new ATOM 0 HA ASP A 104 1.138 -3.010 -5.269 1.00 0.32 H new ATOM 0 HB2 ASP A 104 3.265 -2.463 -3.167 1.00 0.48 H new ATOM 0 HB3 ASP A 104 1.775 -3.325 -2.839 1.00 0.48 H new ATOM 1387 N PHE A 105 1.660 -0.063 -3.931 1.00 0.30 N ATOM 1388 CA PHE A 105 0.999 1.162 -3.500 1.00 0.33 C ATOM 1389 C PHE A 105 -0.054 1.570 -4.521 1.00 0.32 C ATOM 1390 O PHE A 105 -1.198 1.859 -4.171 1.00 0.38 O ATOM 1391 CB PHE A 105 2.024 2.282 -3.341 1.00 0.38 C ATOM 1392 CG PHE A 105 2.123 2.822 -1.944 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.026 3.408 -1.331 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.317 2.753 -1.249 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.122 3.915 -0.050 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.417 3.257 0.033 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.318 3.838 0.633 1.00 0.33 C ATOM 0 H PHE A 105 2.672 0.022 -4.027 1.00 0.30 H new ATOM 0 HA PHE A 105 0.516 0.983 -2.539 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.002 1.912 -3.647 1.00 0.38 H new ATOM 0 HB3 PHE A 105 1.765 3.097 -4.017 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.087 3.469 -1.861 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.180 2.300 -1.714 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.262 4.371 0.417 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.355 3.197 0.566 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.394 4.232 1.636 1.00 0.33 H new ATOM 1407 N ASN A 106 0.345 1.578 -5.790 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.578 1.867 -6.879 1.00 0.34 C ATOM 1409 C ASN A 106 -1.715 0.851 -6.886 1.00 0.32 C ATOM 1410 O ASN A 106 -2.876 1.211 -7.081 1.00 0.38 O ATOM 1411 CB ASN A 106 0.156 1.859 -8.228 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.718 1.373 -9.374 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -1.586 2.097 -9.864 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.494 0.139 -9.802 1.00 0.97 N ATOM 0 H ASN A 106 1.302 1.387 -6.088 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.996 2.862 -6.724 1.00 0.34 H new ATOM 0 HB2 ASN A 106 0.510 2.866 -8.449 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.036 1.221 -8.153 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -1.051 -0.245 -10.566 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.235 -0.427 -9.368 1.00 0.97 H new ATOM 1421 N THR A 107 -1.362 -0.412 -6.650 1.00 0.29 N ATOM 1422 CA THR A 107 -2.327 -1.505 -6.621 1.00 0.30 C ATOM 1423 C THR A 107 -3.410 -1.266 -5.572 1.00 0.26 C ATOM 1424 O THR A 107 -4.595 -1.448 -5.849 1.00 0.27 O ATOM 1425 CB THR A 107 -1.627 -2.851 -6.346 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.708 -3.142 -7.406 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.640 -3.982 -6.223 1.00 0.39 C ATOM 0 H THR A 107 -0.401 -0.704 -6.474 1.00 0.29 H new ATOM 0 HA THR A 107 -2.799 -1.543 -7.603 1.00 0.30 H new ATOM 0 HB THR A 107 -1.089 -2.769 -5.402 1.00 0.36 H new ATOM 0 HG1 THR A 107 -0.059 -2.412 -7.486 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.118 -4.919 -6.029 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.323 -3.771 -5.400 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.205 -4.067 -7.151 1.00 0.39 H new ATOM 1435 N MET A 108 -3.001 -0.861 -4.373 1.00 0.26 N ATOM 1436 CA MET A 108 -3.947 -0.520 -3.317 1.00 0.26 C ATOM 1437 C MET A 108 -4.941 0.530 -3.801 1.00 0.24 C ATOM 1438 O MET A 108 -6.154 0.389 -3.619 1.00 0.27 O ATOM 1439 CB MET A 108 -3.200 0.003 -2.088 1.00 0.32 C ATOM 1440 CG MET A 108 -4.089 0.743 -1.099 1.00 0.62 C ATOM 1441 SD MET A 108 -3.847 2.528 -1.140 1.00 0.88 S ATOM 1442 CE MET A 108 -3.268 2.829 0.527 1.00 0.83 C ATOM 0 H MET A 108 -2.021 -0.761 -4.109 1.00 0.26 H new ATOM 0 HA MET A 108 -4.496 -1.422 -3.047 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.725 -0.836 -1.579 1.00 0.32 H new ATOM 0 HB3 MET A 108 -2.403 0.670 -2.415 1.00 0.32 H new ATOM 0 HG2 MET A 108 -5.133 0.518 -1.317 1.00 0.62 H new ATOM 0 HG3 MET A 108 -3.887 0.377 -0.092 1.00 0.62 H new ATOM 0 HE1 MET A 108 -3.176 3.902 0.692 1.00 0.83 H new ATOM 0 HE2 MET A 108 -3.979 2.412 1.240 1.00 0.83 H new ATOM 0 HE3 MET A 108 -2.296 2.356 0.666 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.418 1.572 -4.435 1.00 0.22 N ATOM 1453 CA PHE A 109 -5.244 2.673 -4.908 1.00 0.23 C ATOM 1454 C PHE A 109 -6.189 2.218 -6.020 1.00 0.23 C ATOM 1455 O PHE A 109 -7.359 2.598 -6.037 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.362 3.833 -5.385 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.854 4.696 -4.259 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.723 5.208 -3.303 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.507 5.001 -4.163 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.250 6.009 -2.276 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -2.032 5.801 -3.143 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.931 6.272 -2.162 1.00 0.22 C ATOM 0 H PHE A 109 -3.423 1.677 -4.633 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.856 3.020 -4.076 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.513 3.431 -5.938 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.931 4.451 -6.080 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.777 4.979 -3.361 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.818 4.608 -4.896 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.943 6.427 -1.560 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.985 6.063 -3.096 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.564 6.842 -1.321 1.00 0.22 H new ATOM 1472 N THR A 110 -5.694 1.385 -6.931 1.00 0.22 N ATOM 1473 CA THR A 110 -6.528 0.871 -8.009 1.00 0.26 C ATOM 1474 C THR A 110 -7.591 -0.065 -7.452 1.00 0.25 C ATOM 1475 O THR A 110 -8.748 -0.006 -7.850 1.00 0.27 O ATOM 1476 CB THR A 110 -5.711 0.121 -9.077 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.415 -0.220 -8.573 1.00 0.49 O ATOM 1478 CG2 THR A 110 -5.562 0.967 -10.329 1.00 0.66 C ATOM 0 H THR A 110 -4.729 1.055 -6.944 1.00 0.22 H new ATOM 0 HA THR A 110 -6.994 1.734 -8.484 1.00 0.26 H new ATOM 0 HB THR A 110 -6.248 -0.794 -9.328 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.914 0.599 -8.377 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.982 0.419 -11.071 1.00 0.66 H new ATOM 0 HG22 THR A 110 -6.548 1.194 -10.734 1.00 0.66 H new ATOM 0 HG23 THR A 110 -5.049 1.896 -10.081 1.00 0.66 H new ATOM 1486 N ASN A 111 -7.176 -0.919 -6.528 1.00 0.24 N ATOM 1487 CA ASN A 111 -8.079 -1.839 -5.836 1.00 0.27 C ATOM 1488 C ASN A 111 -9.297 -1.092 -5.291 1.00 0.26 C ATOM 1489 O ASN A 111 -10.440 -1.500 -5.516 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.317 -2.555 -4.708 1.00 0.33 C ATOM 1491 CG ASN A 111 -8.180 -2.920 -3.509 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -9.255 -3.498 -3.650 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -7.704 -2.595 -2.314 1.00 1.61 N ATOM 0 H ASN A 111 -6.203 -0.997 -6.233 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.441 -2.586 -6.543 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.867 -3.464 -5.108 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -6.500 -1.916 -4.373 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -8.235 -2.825 -1.474 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -6.807 -2.115 -2.235 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.046 0.019 -4.609 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.115 0.843 -4.067 1.00 0.30 C ATOM 1502 C CYS A 112 -10.995 1.402 -5.189 1.00 0.31 C ATOM 1503 O CYS A 112 -12.218 1.423 -5.075 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.524 1.982 -3.230 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.630 3.393 -2.991 1.00 0.63 S ATOM 0 H CYS A 112 -8.107 0.369 -4.419 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.741 0.222 -3.426 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -9.242 1.589 -2.253 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.610 2.331 -3.710 1.00 0.36 H new ATOM 0 HG CYS A 112 -11.711 3.000 -2.385 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.364 1.828 -6.279 1.00 0.32 N ATOM 1512 CA TYR A 113 -11.083 2.431 -7.401 1.00 0.36 C ATOM 1513 C TYR A 113 -11.911 1.393 -8.164 1.00 0.41 C ATOM 1514 O TYR A 113 -12.920 1.730 -8.787 1.00 0.52 O ATOM 1515 CB TYR A 113 -10.100 3.110 -8.362 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.502 4.403 -7.838 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -10.241 5.278 -7.050 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -8.192 4.752 -8.146 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.693 6.459 -6.587 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.638 5.930 -7.683 1.00 0.65 C ATOM 1521 CZ TYR A 113 -8.392 6.780 -6.904 1.00 0.66 C ATOM 1522 OH TYR A 113 -7.850 7.962 -6.452 1.00 0.81 O ATOM 0 H TYR A 113 -9.354 1.767 -6.411 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.764 3.176 -6.989 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.291 2.415 -8.586 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.613 3.316 -9.301 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -11.261 5.030 -6.795 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.597 4.091 -8.758 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -10.283 7.128 -5.978 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.618 6.183 -7.931 1.00 0.65 H new ATOM 0 HH TYR A 113 -6.909 8.015 -6.722 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.479 0.140 -8.121 1.00 0.37 N ATOM 1533 CA ILE A 114 -12.158 -0.929 -8.844 1.00 0.43 C ATOM 1534 C ILE A 114 -13.312 -1.501 -8.034 1.00 0.47 C ATOM 1535 O ILE A 114 -14.431 -1.622 -8.531 1.00 0.55 O ATOM 1536 CB ILE A 114 -11.196 -2.078 -9.210 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -10.072 -1.572 -10.115 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.949 -3.212 -9.895 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.861 -2.480 -10.149 1.00 0.44 C ATOM 0 H ILE A 114 -10.661 -0.162 -7.593 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.541 -0.480 -9.760 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.757 -2.458 -8.288 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.457 -1.457 -11.128 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.764 -0.583 -9.777 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -11.253 -4.012 -10.145 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.717 -3.596 -9.224 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -12.416 -2.840 -10.807 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -8.107 -2.056 -10.811 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.449 -2.575 -9.144 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -9.154 -3.464 -10.516 1.00 0.44 H new ATOM 1551 N TYR A 115 -13.047 -1.849 -6.781 1.00 0.44 N ATOM 1552 CA TYR A 115 -14.056 -2.507 -5.964 1.00 0.51 C ATOM 1553 C TYR A 115 -14.965 -1.501 -5.272 1.00 0.52 C ATOM 1554 O TYR A 115 -15.425 -1.717 -4.152 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.418 -3.443 -4.939 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.333 -4.583 -4.574 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -15.109 -5.195 -5.545 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.445 -5.030 -3.267 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.965 -6.220 -5.232 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -15.302 -6.063 -2.942 1.00 1.03 C ATOM 1561 CZ TYR A 115 -16.062 -6.655 -3.929 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.920 -7.686 -3.613 1.00 1.22 O ATOM 0 H TYR A 115 -12.154 -1.689 -6.314 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.670 -3.105 -6.638 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.486 -3.840 -5.341 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -13.164 -2.879 -4.041 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -15.038 -4.858 -6.569 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -13.854 -4.564 -2.492 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -16.561 -6.684 -6.004 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -15.377 -6.405 -1.920 1.00 1.03 H new ATOM 0 HH TYR A 115 -16.443 -8.540 -3.676 1.00 1.22 H new ATOM 1572 N ASN A 116 -15.248 -0.425 -5.977 1.00 0.40 N ATOM 1573 CA ASN A 116 -16.088 0.654 -5.466 1.00 0.41 C ATOM 1574 C ASN A 116 -16.674 1.441 -6.627 1.00 0.45 C ATOM 1575 O ASN A 116 -16.524 1.051 -7.785 1.00 0.64 O ATOM 1576 CB ASN A 116 -15.285 1.601 -4.571 1.00 0.44 C ATOM 1577 CG ASN A 116 -15.051 1.051 -3.179 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.984 0.885 -2.391 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.798 0.766 -2.872 1.00 0.88 N ATOM 0 H ASN A 116 -14.904 -0.268 -6.924 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.888 0.209 -4.874 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.323 1.806 -5.040 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.811 2.552 -4.495 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -13.571 0.392 -1.950 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -13.058 0.920 -3.557 1.00 0.88 H new ATOM 1586 N LYS A 117 -17.341 2.541 -6.321 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.840 3.439 -7.351 1.00 0.53 C ATOM 1588 C LYS A 117 -16.848 4.583 -7.556 1.00 0.52 C ATOM 1589 O LYS A 117 -16.154 4.968 -6.619 1.00 0.55 O ATOM 1590 CB LYS A 117 -19.214 3.993 -6.959 1.00 0.65 C ATOM 1591 CG LYS A 117 -20.329 2.959 -7.021 1.00 1.20 C ATOM 1592 CD LYS A 117 -21.305 3.115 -5.864 1.00 1.82 C ATOM 1593 CE LYS A 117 -21.630 1.774 -5.225 1.00 2.62 C ATOM 1594 NZ LYS A 117 -21.072 1.661 -3.853 1.00 3.47 N ATOM 0 H LYS A 117 -17.550 2.835 -5.367 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.947 2.885 -8.284 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.159 4.395 -5.947 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.463 4.824 -7.619 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -20.865 3.058 -7.965 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -19.899 1.958 -7.002 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -20.879 3.783 -5.115 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -22.223 3.581 -6.221 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -22.711 1.643 -5.188 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -21.232 0.971 -5.845 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -20.805 0.673 -3.667 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -20.232 2.268 -3.769 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -21.788 1.962 -3.161 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.762 5.144 -8.775 1.00 0.59 N ATOM 1609 CA PRO A 118 -15.829 6.245 -9.078 1.00 0.68 C ATOM 1610 C PRO A 118 -16.074 7.483 -8.216 1.00 0.70 C ATOM 1611 O PRO A 118 -15.201 8.343 -8.071 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.111 6.560 -10.549 1.00 0.79 C ATOM 1613 CG PRO A 118 -16.757 5.336 -11.098 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.538 4.741 -9.965 1.00 0.68 C ATOM 0 HA PRO A 118 -14.796 5.961 -8.876 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -16.764 7.427 -10.647 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.191 6.793 -11.085 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -17.409 5.581 -11.936 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -16.011 4.634 -11.470 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.557 5.127 -9.931 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -17.610 3.657 -10.051 1.00 0.68 H new ATOM 1622 N THR A 119 -17.267 7.569 -7.655 1.00 0.67 N ATOM 1623 CA THR A 119 -17.628 8.664 -6.774 1.00 0.77 C ATOM 1624 C THR A 119 -17.970 8.142 -5.379 1.00 0.69 C ATOM 1625 O THR A 119 -18.793 8.721 -4.671 1.00 0.78 O ATOM 1626 CB THR A 119 -18.833 9.436 -7.341 1.00 0.97 C ATOM 1627 OG1 THR A 119 -19.537 8.611 -8.284 1.00 0.98 O ATOM 1628 CG2 THR A 119 -18.382 10.716 -8.026 1.00 1.23 C ATOM 0 H THR A 119 -18.010 6.884 -7.797 1.00 0.67 H new ATOM 0 HA THR A 119 -16.772 9.335 -6.703 1.00 0.77 H new ATOM 0 HB THR A 119 -19.493 9.698 -6.514 1.00 0.97 H new ATOM 0 HG1 THR A 119 -20.304 9.105 -8.642 1.00 0.98 H new ATOM 0 HG21 THR A 119 -19.251 11.244 -8.419 1.00 1.23 H new ATOM 0 HG22 THR A 119 -17.866 11.351 -7.306 1.00 1.23 H new ATOM 0 HG23 THR A 119 -17.706 10.471 -8.845 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.335 7.044 -4.988 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.647 6.395 -3.721 1.00 0.59 C ATOM 1638 C ASP A 120 -16.898 7.030 -2.559 1.00 0.47 C ATOM 1639 O ASP A 120 -16.021 7.873 -2.753 1.00 0.39 O ATOM 1640 CB ASP A 120 -17.339 4.901 -3.772 1.00 0.63 C ATOM 1641 CG ASP A 120 -18.423 4.078 -3.112 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -18.977 4.529 -2.086 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -18.716 2.971 -3.608 1.00 1.19 O ATOM 0 H ASP A 120 -16.602 6.585 -5.529 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.716 6.532 -3.557 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -17.228 4.589 -4.810 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.386 4.710 -3.278 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.235 6.583 -1.356 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.726 7.179 -0.123 1.00 0.51 C ATOM 1650 C ASP A 121 -15.230 6.950 0.038 1.00 0.39 C ATOM 1651 O ASP A 121 -14.458 7.901 0.168 1.00 0.39 O ATOM 1652 CB ASP A 121 -17.467 6.595 1.079 1.00 0.70 C ATOM 1653 CG ASP A 121 -17.865 7.644 2.096 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -17.778 8.850 1.783 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -18.281 7.267 3.209 1.00 1.44 O ATOM 0 H ASP A 121 -17.868 5.798 -1.205 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.897 8.254 -0.178 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -18.361 6.077 0.731 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.834 5.850 1.562 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.822 5.686 0.019 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.411 5.340 0.174 1.00 0.27 C ATOM 1662 C ILE A 122 -12.612 5.780 -1.055 1.00 0.25 C ATOM 1663 O ILE A 122 -11.432 6.119 -0.956 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.220 3.820 0.427 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.736 3.428 0.357 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -14.043 3.007 -0.561 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -11.039 3.428 1.704 1.00 0.42 C ATOM 0 H ILE A 122 -15.444 4.886 -0.101 1.00 0.34 H new ATOM 0 HA ILE A 122 -13.035 5.872 1.048 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.574 3.598 1.434 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.653 2.435 -0.085 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.219 4.118 -0.309 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -13.897 1.944 -0.369 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.098 3.255 -0.446 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.725 3.239 -1.577 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -9.995 3.141 1.574 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.090 4.426 2.140 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.530 2.717 2.368 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.272 5.805 -2.207 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.640 6.255 -3.441 1.00 0.25 C ATOM 1681 C VAL A 123 -12.268 7.732 -3.334 1.00 0.24 C ATOM 1682 O VAL A 123 -11.171 8.139 -3.727 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.566 6.034 -4.658 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.337 7.099 -5.723 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.359 4.642 -5.235 1.00 0.32 C ATOM 0 H VAL A 123 -14.245 5.519 -2.312 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.736 5.664 -3.589 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.598 6.119 -4.319 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -14.002 6.918 -6.567 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.543 8.084 -5.303 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.302 7.058 -6.062 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -14.018 4.501 -6.092 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.322 4.530 -5.553 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.588 3.895 -4.475 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.193 8.521 -2.791 1.00 0.27 N ATOM 1696 CA LEU A 124 -12.954 9.938 -2.549 1.00 0.31 C ATOM 1697 C LEU A 124 -11.721 10.111 -1.680 1.00 0.29 C ATOM 1698 O LEU A 124 -10.938 11.047 -1.852 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.161 10.569 -1.854 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.137 11.300 -2.770 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.522 11.323 -2.144 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.646 12.714 -3.046 1.00 0.49 C ATOM 0 H LEU A 124 -14.119 8.199 -2.510 1.00 0.27 H new ATOM 0 HA LEU A 124 -12.797 10.434 -3.507 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -14.704 9.786 -1.324 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -13.800 11.271 -1.102 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.196 10.769 -3.720 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.212 11.847 -2.806 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -16.870 10.301 -1.993 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.479 11.837 -1.184 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.353 13.223 -3.701 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.564 13.260 -2.106 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.669 12.672 -3.528 1.00 0.49 H new ATOM 1714 N MET A 125 -11.551 9.177 -0.757 1.00 0.25 N ATOM 1715 CA MET A 125 -10.437 9.213 0.166 1.00 0.26 C ATOM 1716 C MET A 125 -9.142 8.841 -0.541 1.00 0.24 C ATOM 1717 O MET A 125 -8.124 9.500 -0.359 1.00 0.25 O ATOM 1718 CB MET A 125 -10.697 8.286 1.357 1.00 0.35 C ATOM 1719 CG MET A 125 -11.967 8.631 2.116 1.00 0.62 C ATOM 1720 SD MET A 125 -12.395 7.410 3.367 1.00 0.54 S ATOM 1721 CE MET A 125 -13.414 8.410 4.444 1.00 0.62 C ATOM 0 H MET A 125 -12.177 8.382 -0.630 1.00 0.25 H new ATOM 0 HA MET A 125 -10.334 10.230 0.544 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.761 7.258 1.002 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.849 8.335 2.040 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.845 9.604 2.593 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.792 8.723 1.409 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.838 7.784 5.229 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.806 9.195 4.894 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.220 8.862 3.866 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.196 7.801 -1.368 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.036 7.364 -2.138 1.00 0.27 C ATOM 1733 C ALA A 126 -7.468 8.510 -2.972 1.00 0.25 C ATOM 1734 O ALA A 126 -6.256 8.638 -3.123 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.406 6.195 -3.036 1.00 0.31 C ATOM 0 H ALA A 126 -10.036 7.243 -1.522 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.268 7.040 -1.436 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.530 5.881 -3.604 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.760 5.364 -2.425 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.194 6.500 -3.724 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.360 9.349 -3.488 1.00 0.27 N ATOM 1742 CA GLN A 127 -7.968 10.493 -4.303 1.00 0.30 C ATOM 1743 C GLN A 127 -7.097 11.462 -3.511 1.00 0.28 C ATOM 1744 O GLN A 127 -6.082 11.947 -4.004 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.207 11.214 -4.832 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.111 11.586 -6.302 1.00 0.86 C ATOM 1747 CD GLN A 127 -10.298 11.086 -7.103 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -11.034 11.871 -7.698 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -10.493 9.777 -7.123 1.00 1.62 N ATOM 0 H GLN A 127 -9.367 9.257 -3.355 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.383 10.122 -5.145 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.079 10.578 -4.683 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.369 12.119 -4.246 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.043 12.670 -6.396 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -8.194 11.172 -6.720 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -9.859 9.159 -6.616 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -11.277 9.386 -7.645 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.497 11.739 -2.279 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.735 12.628 -1.416 1.00 0.28 C ATOM 1760 C ALA A 128 -5.493 11.920 -0.884 1.00 0.24 C ATOM 1761 O ALA A 128 -4.434 12.530 -0.719 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.600 13.119 -0.267 1.00 0.32 C ATOM 0 H ALA A 128 -8.344 11.361 -1.855 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.416 13.490 -2.002 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.016 13.783 0.370 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.459 13.660 -0.664 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -7.946 12.267 0.318 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.637 10.630 -0.630 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.550 9.804 -0.120 1.00 0.17 C ATOM 1770 C LEU A 129 -3.390 9.751 -1.117 1.00 0.17 C ATOM 1771 O LEU A 129 -2.226 9.901 -0.744 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.066 8.384 0.152 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.590 8.094 1.569 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.317 9.295 2.144 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.510 6.884 1.543 1.00 0.33 C ATOM 0 H LEU A 129 -6.511 10.123 -0.771 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.185 10.246 0.807 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.867 8.173 -0.556 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.259 7.683 -0.061 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.735 7.882 2.212 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.675 9.058 3.146 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.635 10.144 2.194 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.164 9.547 1.506 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.877 6.684 2.550 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.353 7.082 0.882 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.960 6.016 1.179 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.712 9.554 -2.390 1.00 0.19 N ATOM 1788 CA GLU A 130 -2.692 9.408 -3.420 1.00 0.22 C ATOM 1789 C GLU A 130 -1.976 10.730 -3.699 1.00 0.20 C ATOM 1790 O GLU A 130 -0.842 10.738 -4.180 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.297 8.833 -4.707 1.00 0.34 C ATOM 1792 CG GLU A 130 -4.149 9.812 -5.495 1.00 0.76 C ATOM 1793 CD GLU A 130 -4.402 9.337 -6.908 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -5.266 8.457 -7.100 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -3.747 9.850 -7.841 1.00 1.47 O ATOM 0 H GLU A 130 -4.671 9.492 -2.733 1.00 0.19 H new ATOM 0 HA GLU A 130 -1.947 8.706 -3.046 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -2.489 8.478 -5.346 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -3.905 7.966 -4.451 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -5.102 9.955 -4.985 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -3.654 10.783 -5.523 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.624 11.839 -3.368 1.00 0.24 N ATOM 1803 CA LYS A 131 -2.067 13.157 -3.627 1.00 0.28 C ATOM 1804 C LYS A 131 -0.883 13.415 -2.707 1.00 0.25 C ATOM 1805 O LYS A 131 0.144 13.941 -3.134 1.00 0.28 O ATOM 1806 CB LYS A 131 -3.135 14.235 -3.442 1.00 0.37 C ATOM 1807 CG LYS A 131 -4.111 14.325 -4.606 1.00 0.80 C ATOM 1808 CD LYS A 131 -5.189 15.367 -4.353 1.00 1.18 C ATOM 1809 CE LYS A 131 -6.155 15.471 -5.525 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.736 16.510 -6.504 1.00 2.24 N ATOM 0 H LYS A 131 -3.539 11.850 -2.918 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.720 13.193 -4.660 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.691 14.032 -2.526 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.647 15.201 -3.311 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -3.569 14.576 -5.518 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -4.575 13.352 -4.768 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -5.740 15.109 -3.449 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -4.724 16.337 -4.177 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -6.221 14.506 -6.027 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -7.152 15.705 -5.153 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -6.421 16.547 -7.285 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -5.698 17.436 -6.032 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -4.795 16.274 -6.880 1.00 2.24 H new ATOM 1824 N ILE A 132 -1.020 13.026 -1.446 1.00 0.28 N ATOM 1825 CA ILE A 132 0.081 13.151 -0.503 1.00 0.33 C ATOM 1826 C ILE A 132 1.073 12.004 -0.690 1.00 0.26 C ATOM 1827 O ILE A 132 2.235 12.106 -0.293 1.00 0.29 O ATOM 1828 CB ILE A 132 -0.388 13.200 0.966 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.547 12.237 1.209 1.00 0.46 C ATOM 1830 CG2 ILE A 132 -0.790 14.619 1.343 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.590 11.700 2.621 1.00 0.59 C ATOM 0 H ILE A 132 -1.873 12.626 -1.057 1.00 0.28 H new ATOM 0 HA ILE A 132 0.567 14.103 -0.718 1.00 0.33 H new ATOM 0 HB ILE A 132 0.444 12.888 1.597 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -2.486 12.747 0.993 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -1.469 11.402 0.512 1.00 0.46 H new ATOM 0 HG21 ILE A 132 -1.119 14.640 2.382 1.00 1.23 H new ATOM 0 HG22 ILE A 132 0.065 15.284 1.219 1.00 1.23 H new ATOM 0 HG23 ILE A 132 -1.604 14.950 0.698 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.437 11.022 2.727 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -0.666 11.162 2.834 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -1.698 12.528 3.322 1.00 0.59 H new ATOM 1843 N PHE A 133 0.604 10.912 -1.295 1.00 0.25 N ATOM 1844 CA PHE A 133 1.474 9.800 -1.654 1.00 0.28 C ATOM 1845 C PHE A 133 2.539 10.261 -2.648 1.00 0.26 C ATOM 1846 O PHE A 133 3.731 10.240 -2.338 1.00 0.28 O ATOM 1847 CB PHE A 133 0.650 8.657 -2.253 1.00 0.34 C ATOM 1848 CG PHE A 133 1.490 7.587 -2.873 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.452 6.925 -2.129 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.303 7.230 -4.195 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.212 5.924 -2.697 1.00 0.39 C ATOM 1852 CE2 PHE A 133 2.059 6.235 -4.769 1.00 0.46 C ATOM 1853 CZ PHE A 133 3.078 5.634 -4.021 1.00 0.44 C ATOM 0 H PHE A 133 -0.376 10.777 -1.545 1.00 0.25 H new ATOM 0 HA PHE A 133 1.971 9.439 -0.753 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.030 8.216 -1.472 1.00 0.34 H new ATOM 0 HB3 PHE A 133 -0.026 9.061 -3.006 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.609 7.195 -1.095 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.554 7.738 -4.784 1.00 0.42 H new ATOM 0 HE1 PHE A 133 3.914 5.370 -2.092 1.00 0.39 H new ATOM 0 HE2 PHE A 133 1.869 5.921 -5.785 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.758 4.941 -4.494 1.00 0.44 H new ATOM 1863 N LEU A 134 2.102 10.720 -3.822 1.00 0.27 N ATOM 1864 CA LEU A 134 3.028 11.144 -4.870 1.00 0.34 C ATOM 1865 C LEU A 134 3.831 12.358 -4.413 1.00 0.34 C ATOM 1866 O LEU A 134 4.946 12.592 -4.877 1.00 0.43 O ATOM 1867 CB LEU A 134 2.274 11.447 -6.174 1.00 0.42 C ATOM 1868 CG LEU A 134 1.456 12.743 -6.190 1.00 0.47 C ATOM 1869 CD1 LEU A 134 2.151 13.810 -7.024 1.00 0.64 C ATOM 1870 CD2 LEU A 134 0.057 12.479 -6.728 1.00 0.59 C ATOM 0 H LEU A 134 1.116 10.807 -4.069 1.00 0.27 H new ATOM 0 HA LEU A 134 3.723 10.327 -5.065 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.998 11.487 -6.988 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.603 10.614 -6.385 1.00 0.42 H new ATOM 0 HG LEU A 134 1.374 13.108 -5.166 1.00 0.47 H new ATOM 0 HD11 LEU A 134 1.553 14.721 -7.021 1.00 0.64 H new ATOM 0 HD12 LEU A 134 3.133 14.020 -6.601 1.00 0.64 H new ATOM 0 HD13 LEU A 134 2.265 13.454 -8.048 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -0.512 13.409 -6.733 1.00 0.59 H new ATOM 0 HD22 LEU A 134 0.125 12.089 -7.744 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.445 11.750 -6.093 1.00 0.59 H new ATOM 1882 N GLN A 135 3.251 13.107 -3.484 1.00 0.29 N ATOM 1883 CA GLN A 135 3.900 14.252 -2.880 1.00 0.35 C ATOM 1884 C GLN A 135 5.239 13.863 -2.265 1.00 0.36 C ATOM 1885 O GLN A 135 6.254 14.523 -2.487 1.00 0.55 O ATOM 1886 CB GLN A 135 2.982 14.814 -1.804 1.00 0.37 C ATOM 1887 CG GLN A 135 2.802 16.312 -1.876 1.00 0.51 C ATOM 1888 CD GLN A 135 2.714 16.950 -0.504 1.00 1.06 C ATOM 1889 OE1 GLN A 135 3.308 16.463 0.461 1.00 1.43 O ATOM 1890 NE2 GLN A 135 1.973 18.043 -0.407 1.00 1.61 N ATOM 0 H GLN A 135 2.311 12.932 -3.130 1.00 0.29 H new ATOM 0 HA GLN A 135 4.091 15.001 -3.648 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.006 14.336 -1.887 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.383 14.552 -0.825 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.636 16.750 -2.424 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.897 16.540 -2.438 1.00 0.51 H new ATOM 0 HE21 GLN A 135 1.499 18.412 -1.231 1.00 1.61 H new ATOM 0 HE22 GLN A 135 1.877 18.516 0.492 1.00 1.61 H new ATOM 1899 N LYS A 136 5.233 12.781 -1.500 1.00 0.25 N ATOM 1900 CA LYS A 136 6.435 12.322 -0.819 1.00 0.26 C ATOM 1901 C LYS A 136 7.308 11.502 -1.758 1.00 0.23 C ATOM 1902 O LYS A 136 8.519 11.401 -1.566 1.00 0.25 O ATOM 1903 CB LYS A 136 6.061 11.500 0.413 1.00 0.32 C ATOM 1904 CG LYS A 136 6.199 12.269 1.717 1.00 0.54 C ATOM 1905 CD LYS A 136 5.067 13.268 1.891 1.00 0.50 C ATOM 1906 CE LYS A 136 5.518 14.498 2.660 1.00 0.63 C ATOM 1907 NZ LYS A 136 5.760 15.661 1.763 1.00 1.52 N ATOM 0 H LYS A 136 4.408 12.204 -1.335 1.00 0.25 H new ATOM 0 HA LYS A 136 7.005 13.195 -0.500 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.032 11.154 0.311 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.693 10.613 0.454 1.00 0.32 H new ATOM 0 HG2 LYS A 136 6.203 11.571 2.554 1.00 0.54 H new ATOM 0 HG3 LYS A 136 7.155 12.793 1.734 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.692 13.568 0.912 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.239 12.793 2.417 1.00 0.50 H new ATOM 0 HE2 LYS A 136 4.761 14.761 3.398 1.00 0.63 H new ATOM 0 HE3 LYS A 136 6.431 14.267 3.209 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 6.131 16.458 2.320 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 6.452 15.398 1.032 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 4.867 15.941 1.310 1.00 1.52 H new ATOM 1921 N VAL A 137 6.685 10.925 -2.777 1.00 0.23 N ATOM 1922 CA VAL A 137 7.407 10.174 -3.796 1.00 0.25 C ATOM 1923 C VAL A 137 8.299 11.112 -4.604 1.00 0.30 C ATOM 1924 O VAL A 137 9.416 10.760 -4.989 1.00 0.33 O ATOM 1925 CB VAL A 137 6.439 9.440 -4.752 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.194 8.740 -5.870 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.589 8.444 -3.983 1.00 0.33 C ATOM 0 H VAL A 137 5.676 10.963 -2.920 1.00 0.23 H new ATOM 0 HA VAL A 137 8.018 9.429 -3.286 1.00 0.25 H new ATOM 0 HB VAL A 137 5.785 10.185 -5.204 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.486 8.233 -6.525 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.758 9.475 -6.444 1.00 0.35 H new ATOM 0 HG13 VAL A 137 7.881 8.009 -5.443 1.00 0.35 H new ATOM 0 HG21 VAL A 137 4.913 7.936 -4.670 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.235 7.711 -3.501 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.008 8.970 -3.225 1.00 0.33 H new ATOM 1937 N ALA A 138 7.809 12.325 -4.828 1.00 0.34 N ATOM 1938 CA ALA A 138 8.557 13.332 -5.561 1.00 0.43 C ATOM 1939 C ALA A 138 9.773 13.784 -4.762 1.00 0.43 C ATOM 1940 O ALA A 138 10.707 14.374 -5.307 1.00 0.50 O ATOM 1941 CB ALA A 138 7.662 14.517 -5.886 1.00 0.50 C ATOM 0 H ALA A 138 6.891 12.634 -4.509 1.00 0.34 H new ATOM 0 HA ALA A 138 8.907 12.893 -6.495 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.234 15.265 -6.435 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.822 14.183 -6.495 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.287 14.954 -4.961 1.00 0.50 H new ATOM 1947 N GLN A 139 9.755 13.500 -3.466 1.00 0.39 N ATOM 1948 CA GLN A 139 10.857 13.850 -2.591 1.00 0.43 C ATOM 1949 C GLN A 139 11.727 12.629 -2.299 1.00 0.40 C ATOM 1950 O GLN A 139 12.668 12.697 -1.508 1.00 0.45 O ATOM 1951 CB GLN A 139 10.330 14.449 -1.288 1.00 0.45 C ATOM 1952 CG GLN A 139 9.339 15.583 -1.502 1.00 0.54 C ATOM 1953 CD GLN A 139 9.845 16.903 -0.958 1.00 1.08 C ATOM 1954 OE1 GLN A 139 10.268 16.990 0.196 1.00 1.76 O ATOM 1955 NE2 GLN A 139 9.798 17.942 -1.778 1.00 1.56 N ATOM 0 H GLN A 139 8.982 13.025 -2.999 1.00 0.39 H new ATOM 0 HA GLN A 139 11.472 14.595 -3.097 1.00 0.43 H new ATOM 0 HB2 GLN A 139 9.851 13.664 -0.703 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.171 14.817 -0.700 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.135 15.687 -2.568 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.394 15.332 -1.019 1.00 0.54 H new ATOM 0 HE21 GLN A 139 9.440 17.827 -2.726 1.00 1.56 H new ATOM 0 HE22 GLN A 139 10.119 18.857 -1.461 1.00 1.56 H new ATOM 1964 N MET A 140 11.399 11.507 -2.930 1.00 0.35 N ATOM 1965 CA MET A 140 12.203 10.297 -2.805 1.00 0.35 C ATOM 1966 C MET A 140 13.504 10.455 -3.579 1.00 0.40 C ATOM 1967 O MET A 140 13.531 11.115 -4.618 1.00 0.48 O ATOM 1968 CB MET A 140 11.435 9.082 -3.327 1.00 0.38 C ATOM 1969 CG MET A 140 10.638 8.356 -2.256 1.00 0.66 C ATOM 1970 SD MET A 140 9.352 7.296 -2.939 1.00 0.86 S ATOM 1971 CE MET A 140 10.313 6.291 -4.068 1.00 0.67 C ATOM 0 H MET A 140 10.582 11.410 -3.533 1.00 0.35 H new ATOM 0 HA MET A 140 12.427 10.140 -1.750 1.00 0.35 H new ATOM 0 HB2 MET A 140 10.756 9.404 -4.117 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.140 8.384 -3.778 1.00 0.38 H new ATOM 0 HG2 MET A 140 11.316 7.753 -1.651 1.00 0.66 H new ATOM 0 HG3 MET A 140 10.182 9.089 -1.590 1.00 0.66 H new ATOM 0 HE1 MET A 140 9.874 5.295 -4.133 1.00 0.67 H new ATOM 0 HE2 MET A 140 10.313 6.752 -5.056 1.00 0.67 H new ATOM 0 HE3 MET A 140 11.337 6.213 -3.704 1.00 0.67 H new ATOM 1981 N PRO A 141 14.600 9.863 -3.085 1.00 0.42 N ATOM 1982 CA PRO A 141 15.910 9.976 -3.728 1.00 0.52 C ATOM 1983 C PRO A 141 15.960 9.254 -5.068 1.00 0.61 C ATOM 1984 O PRO A 141 15.832 8.031 -5.125 1.00 0.67 O ATOM 1985 CB PRO A 141 16.859 9.307 -2.732 1.00 0.55 C ATOM 1986 CG PRO A 141 16.004 8.379 -1.946 1.00 0.53 C ATOM 1987 CD PRO A 141 14.653 9.032 -1.866 1.00 0.46 C ATOM 0 HA PRO A 141 16.164 11.013 -3.949 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.655 8.769 -3.247 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.337 10.044 -2.087 1.00 0.55 H new ATOM 0 HG2 PRO A 141 15.939 7.404 -2.429 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.418 8.215 -0.951 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.851 8.294 -1.848 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.551 9.635 -0.964 1.00 0.46 H new ATOM 1995 N GLN A 142 16.164 10.014 -6.141 1.00 0.76 N ATOM 1996 CA GLN A 142 16.278 9.446 -7.487 1.00 0.94 C ATOM 1997 C GLN A 142 17.663 8.836 -7.698 1.00 0.93 C ATOM 1998 O GLN A 142 18.073 8.555 -8.825 1.00 1.17 O ATOM 1999 CB GLN A 142 16.016 10.517 -8.553 1.00 1.21 C ATOM 2000 CG GLN A 142 14.952 11.530 -8.160 1.00 1.60 C ATOM 2001 CD GLN A 142 13.991 11.838 -9.289 1.00 2.34 C ATOM 2002 OE1 GLN A 142 14.307 12.611 -10.196 1.00 2.87 O ATOM 2003 NE2 GLN A 142 12.811 11.247 -9.239 1.00 2.91 N ATOM 0 H GLN A 142 16.254 11.029 -6.107 1.00 0.76 H new ATOM 0 HA GLN A 142 15.527 8.662 -7.584 1.00 0.94 H new ATOM 0 HB2 GLN A 142 16.947 11.045 -8.760 1.00 1.21 H new ATOM 0 HB3 GLN A 142 15.714 10.028 -9.479 1.00 1.21 H new ATOM 0 HG2 GLN A 142 14.392 11.149 -7.306 1.00 1.60 H new ATOM 0 HG3 GLN A 142 15.436 12.452 -7.839 1.00 1.60 H new ATOM 0 HE21 GLN A 142 12.590 10.614 -8.470 1.00 2.91 H new ATOM 0 HE22 GLN A 142 12.121 11.424 -9.969 1.00 2.91 H new ATOM 2012 N GLU A 143 18.376 8.639 -6.603 1.00 0.80 N ATOM 2013 CA GLU A 143 19.710 8.093 -6.636 1.00 0.91 C ATOM 2014 C GLU A 143 19.679 6.613 -6.297 1.00 0.87 C ATOM 2015 O GLU A 143 20.269 5.791 -7.003 1.00 1.20 O ATOM 2016 CB GLU A 143 20.588 8.822 -5.628 1.00 1.04 C ATOM 2017 CG GLU A 143 20.452 10.333 -5.676 1.00 1.22 C ATOM 2018 CD GLU A 143 21.640 11.039 -5.064 1.00 1.94 C ATOM 2019 OE1 GLU A 143 22.629 11.282 -5.784 1.00 2.30 O ATOM 2020 OE2 GLU A 143 21.589 11.353 -3.857 1.00 2.70 O ATOM 0 H GLU A 143 18.039 8.856 -5.665 1.00 0.80 H new ATOM 0 HA GLU A 143 20.117 8.222 -7.639 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.338 8.476 -4.625 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.629 8.555 -5.807 1.00 1.04 H new ATOM 0 HG2 GLU A 143 20.338 10.652 -6.712 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.545 10.630 -5.149 1.00 1.22 H new ATOM 2027 N GLU A 144 18.964 6.297 -5.218 1.00 0.77 N ATOM 2028 CA GLU A 144 18.906 4.948 -4.671 1.00 0.77 C ATOM 2029 C GLU A 144 20.295 4.495 -4.221 1.00 0.82 C ATOM 2030 O GLU A 144 21.065 3.904 -4.987 1.00 1.16 O ATOM 2031 CB GLU A 144 18.300 3.964 -5.682 1.00 0.82 C ATOM 2032 CG GLU A 144 18.397 2.503 -5.263 1.00 1.04 C ATOM 2033 CD GLU A 144 17.692 2.216 -3.951 1.00 1.58 C ATOM 2034 OE1 GLU A 144 18.038 2.852 -2.936 1.00 2.34 O ATOM 2035 OE2 GLU A 144 16.781 1.362 -3.928 1.00 1.87 O ATOM 0 H GLU A 144 18.407 6.975 -4.698 1.00 0.77 H new ATOM 0 HA GLU A 144 18.253 4.961 -3.799 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.251 4.218 -5.836 1.00 0.82 H new ATOM 0 HB3 GLU A 144 18.802 4.090 -6.641 1.00 0.82 H new ATOM 0 HG2 GLU A 144 17.967 1.877 -6.045 1.00 1.04 H new ATOM 0 HG3 GLU A 144 19.447 2.225 -5.173 1.00 1.04 H new ATOM 2042 N VAL A 145 20.613 4.792 -2.972 1.00 0.63 N ATOM 2043 CA VAL A 145 21.888 4.404 -2.395 1.00 0.68 C ATOM 2044 C VAL A 145 21.687 3.223 -1.457 1.00 0.61 C ATOM 2045 O VAL A 145 21.003 3.334 -0.445 1.00 0.61 O ATOM 2046 CB VAL A 145 22.549 5.565 -1.618 1.00 0.78 C ATOM 2047 CG1 VAL A 145 24.038 5.302 -1.430 1.00 0.99 C ATOM 2048 CG2 VAL A 145 22.326 6.893 -2.334 1.00 0.88 C ATOM 0 H VAL A 145 20.002 5.303 -2.336 1.00 0.63 H new ATOM 0 HA VAL A 145 22.550 4.129 -3.216 1.00 0.68 H new ATOM 0 HB VAL A 145 22.082 5.626 -0.635 1.00 0.78 H new ATOM 0 HG11 VAL A 145 24.487 6.130 -0.881 1.00 0.99 H new ATOM 0 HG12 VAL A 145 24.176 4.377 -0.870 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.517 5.211 -2.405 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.800 7.695 -1.769 1.00 0.88 H new ATOM 0 HG22 VAL A 145 22.762 6.846 -3.332 1.00 0.88 H new ATOM 0 HG23 VAL A 145 21.257 7.088 -2.414 1.00 0.88 H new ATOM 2058 N GLU A 146 22.266 2.089 -1.804 1.00 0.66 N ATOM 2059 CA GLU A 146 22.102 0.887 -1.006 1.00 0.68 C ATOM 2060 C GLU A 146 22.802 1.028 0.337 1.00 0.72 C ATOM 2061 O GLU A 146 23.835 1.691 0.440 1.00 0.75 O ATOM 2062 CB GLU A 146 22.645 -0.321 -1.749 1.00 0.79 C ATOM 2063 CG GLU A 146 21.786 -1.552 -1.582 1.00 1.00 C ATOM 2064 CD GLU A 146 22.475 -2.797 -2.073 1.00 1.10 C ATOM 2065 OE1 GLU A 146 22.736 -2.905 -3.290 1.00 1.24 O ATOM 2066 OE2 GLU A 146 22.776 -3.672 -1.241 1.00 1.53 O ATOM 0 H GLU A 146 22.853 1.974 -2.631 1.00 0.66 H new ATOM 0 HA GLU A 146 21.036 0.744 -0.828 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.726 -0.082 -2.809 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.652 -0.537 -1.393 1.00 0.79 H new ATOM 0 HG2 GLU A 146 21.528 -1.673 -0.530 1.00 1.00 H new ATOM 0 HG3 GLU A 146 20.851 -1.417 -2.126 1.00 1.00 H new ATOM 2073 N LEU A 147 22.239 0.407 1.363 1.00 0.76 N ATOM 2074 CA LEU A 147 22.796 0.516 2.698 1.00 0.86 C ATOM 2075 C LEU A 147 23.557 -0.749 3.075 1.00 1.01 C ATOM 2076 O LEU A 147 24.611 -0.629 3.732 1.00 1.57 O ATOM 2077 CB LEU A 147 21.701 0.791 3.731 1.00 0.86 C ATOM 2078 CG LEU A 147 20.862 2.045 3.476 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.500 1.916 4.138 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.581 3.286 3.981 1.00 0.82 C ATOM 2081 OXT LEU A 147 23.091 -1.856 2.719 1.00 1.46 O ATOM 0 H LEU A 147 21.403 -0.173 1.295 1.00 0.76 H new ATOM 0 HA LEU A 147 23.491 1.356 2.695 1.00 0.86 H new ATOM 0 HB2 LEU A 147 21.035 -0.071 3.768 1.00 0.86 H new ATOM 0 HB3 LEU A 147 22.165 0.878 4.714 1.00 0.86 H new ATOM 0 HG LEU A 147 20.718 2.147 2.400 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.916 2.816 3.947 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.977 1.051 3.730 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.629 1.788 5.213 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.967 4.166 3.789 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.758 3.193 5.053 1.00 0.82 H new ATOM 0 HD23 LEU A 147 22.535 3.390 3.463 1.00 0.82 H new