USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1108 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 11 TYR OH : rot -162:sc= 1.17 USER MOD Set 1.2: A 168 LYS NZ :NH3+ -131:sc= 2.26 (180deg=-0.273) USER MOD Set 2.1: A 150 LYS NZ :NH3+ -151:sc= 1.66 (180deg=0) USER MOD Set 2.2: A 152 TYR OH : rot 180:sc= 0.958 USER MOD Set 3.1: A 60 GLN : amide:sc= 0.335 K(o=1.6,f=-6.9!) USER MOD Set 3.2: A 64 LYS NZ :NH3+ 180:sc= 1.27 (180deg=2.05) USER MOD Set 4.1: A 53 THR OG1 : rot -160:sc= -0.0269 USER MOD Set 4.2: A 56 MET CE :methyl -164:sc= 0 (180deg=-0.365) USER MOD Set 5.1: A 24 LYS NZ :NH3+ -174:sc= 2.29 (180deg=0.992) USER MOD Set 5.2: A 25 ASN : amide:sc= 0.751 K(o=3,f=-9.1!) USER MOD Set 6.1: A 17 THR OG1 : rot 180:sc= 0.943 USER MOD Set 6.2: A 27 SER OG : rot -107:sc= 0.915 USER MOD Single : A 10 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.4!) USER MOD Single : A 19 GLN : amide:sc= 0.991 K(o=0.99,f=0) USER MOD Single : A 20 ASN : amide:sc= 1.19 K(o=1.2,f=-13!) USER MOD Single : A 21 GLN : amide:sc= 1.62 K(o=1.6,f=-9.6!) USER MOD Single : A 30 SER OG : rot -150:sc= 0.92 USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0217) USER MOD Single : A 43 THR OG1 : rot -163:sc= 0.585 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -174:sc= 0 (180deg=-0.0655) USER MOD Single : A 55 HIS : no HD1:sc=-0.00326 X(o=-0.0033,f=-0.0033) USER MOD Single : A 57 THR OG1 : rot 7:sc= 0.315 USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= -0.31! (180deg=-0.356!) USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 1.05 (180deg=1.02) USER MOD Single : A 67 ASN : amide:sc= -0.401 K(o=-0.4,f=-3.9!) USER MOD Single : A 74 SER OG : rot 80:sc= 1.22 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.494 K(o=0.49,f=-0.23) USER MOD Single : A 83 LYS NZ :NH3+ -143:sc= 2.37 (180deg=-0.767) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.076) USER MOD Single : A 88 LYS NZ :NH3+ -137:sc= 0.771 (180deg=-1.41!) USER MOD Single : A 89 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0144) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 94 TYR OH : rot 180:sc= 0.53 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0.793 K(o=0.79,f=-0.97) USER MOD Single : A 105 THR OG1 : rot -73:sc= -0.034 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 79:sc= 1.24 USER MOD Single : A 109 GLN : amide:sc= -1.89 X(o=-1.9,f=-1.7!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -130:sc= 0.667 (180deg=-1.27!) USER MOD Single : A 119 SER OG : rot 86:sc= 1.11 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 15:sc= 0.67 USER MOD Single : A 140 TYR OH : rot -74:sc= 1.21 USER MOD Single : A 147 LYS NZ :NH3+ 155:sc= 1.14 (180deg=0.644) USER MOD Single : A 153 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 160 TYR OH : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot -46:sc= 1.23 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 171 SER OG : rot -30:sc= 0.0333 USER MOD Single : A 172 THR OG1 : rot -37:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -15.601 -8.976 9.951 1.00 1.25 N ATOM 113 CA ASP A 7 -15.407 -8.889 8.512 1.00 1.06 C ATOM 114 C ASP A 7 -14.010 -9.408 8.120 1.00 0.89 C ATOM 115 O ASP A 7 -13.151 -8.637 7.695 1.00 0.92 O ATOM 116 CB ASP A 7 -15.599 -7.411 8.098 1.00 1.27 C ATOM 117 CG ASP A 7 -14.992 -6.360 9.042 1.00 2.16 C ATOM 118 OD1 ASP A 7 -14.324 -6.752 10.031 1.00 3.00 O ATOM 119 OD2 ASP A 7 -15.271 -5.168 8.803 1.00 3.06 O ATOM 0 HA ASP A 7 -16.132 -9.513 7.990 1.00 1.06 H new ATOM 0 HB2 ASP A 7 -15.166 -7.273 7.107 1.00 1.27 H new ATOM 0 HB3 ASP A 7 -16.668 -7.216 8.009 1.00 1.27 H new ATOM 124 N PRO A 8 -13.741 -10.721 8.237 1.00 0.97 N ATOM 125 CA PRO A 8 -12.432 -11.287 7.933 1.00 0.99 C ATOM 126 C PRO A 8 -12.193 -11.383 6.421 1.00 0.87 C ATOM 127 O PRO A 8 -13.122 -11.647 5.658 1.00 1.21 O ATOM 128 CB PRO A 8 -12.452 -12.682 8.565 1.00 1.31 C ATOM 129 CG PRO A 8 -13.925 -13.080 8.459 1.00 1.45 C ATOM 130 CD PRO A 8 -14.644 -11.756 8.714 1.00 1.27 C ATOM 0 HA PRO A 8 -11.627 -10.663 8.322 1.00 0.99 H new ATOM 0 HB2 PRO A 8 -11.805 -13.378 8.030 1.00 1.31 H new ATOM 0 HB3 PRO A 8 -12.112 -12.662 9.600 1.00 1.31 H new ATOM 0 HG2 PRO A 8 -14.165 -13.490 7.478 1.00 1.45 H new ATOM 0 HG3 PRO A 8 -14.195 -13.837 9.195 1.00 1.45 H new ATOM 0 HD2 PRO A 8 -15.596 -11.719 8.185 1.00 1.27 H new ATOM 0 HD3 PRO A 8 -14.863 -11.627 9.774 1.00 1.27 H new ATOM 138 N LEU A 9 -10.934 -11.224 5.996 1.00 0.66 N ATOM 139 CA LEU A 9 -10.468 -11.490 4.634 1.00 0.58 C ATOM 140 C LEU A 9 -9.351 -12.545 4.685 1.00 0.64 C ATOM 141 O LEU A 9 -8.903 -12.918 5.766 1.00 0.71 O ATOM 142 CB LEU A 9 -10.079 -10.225 3.846 1.00 0.60 C ATOM 143 CG LEU A 9 -9.949 -8.963 4.694 1.00 0.71 C ATOM 144 CD1 LEU A 9 -9.003 -7.991 4.004 1.00 0.87 C ATOM 145 CD2 LEU A 9 -11.304 -8.288 4.908 1.00 0.73 C ATOM 0 H LEU A 9 -10.190 -10.896 6.612 1.00 0.66 H new ATOM 0 HA LEU A 9 -11.305 -11.891 4.062 1.00 0.58 H new ATOM 0 HB2 LEU A 9 -9.131 -10.406 3.339 1.00 0.60 H new ATOM 0 HB3 LEU A 9 -10.826 -10.051 3.072 1.00 0.60 H new ATOM 0 HG LEU A 9 -9.556 -9.247 5.670 1.00 0.71 H new ATOM 0 HD11 LEU A 9 -8.907 -7.088 4.606 1.00 0.87 H new ATOM 0 HD12 LEU A 9 -8.024 -8.456 3.889 1.00 0.87 H new ATOM 0 HD13 LEU A 9 -9.400 -7.732 3.022 1.00 0.87 H new ATOM 0 HD21 LEU A 9 -11.173 -7.393 5.516 1.00 0.73 H new ATOM 0 HD22 LEU A 9 -11.729 -8.012 3.943 1.00 0.73 H new ATOM 0 HD23 LEU A 9 -11.977 -8.977 5.418 1.00 0.73 H new ATOM 157 N ASN A 10 -8.931 -13.051 3.520 1.00 0.69 N ATOM 158 CA ASN A 10 -7.819 -13.985 3.333 1.00 0.82 C ATOM 159 C ASN A 10 -7.319 -13.795 1.906 1.00 0.87 C ATOM 160 O ASN A 10 -7.390 -14.707 1.087 1.00 1.02 O ATOM 161 CB ASN A 10 -8.254 -15.444 3.562 1.00 1.00 C ATOM 162 CG ASN A 10 -8.456 -15.804 5.029 1.00 1.27 C ATOM 163 OD1 ASN A 10 -7.501 -16.109 5.737 1.00 1.86 O ATOM 164 ND2 ASN A 10 -9.704 -15.825 5.491 1.00 1.48 N ATOM 0 H ASN A 10 -9.382 -12.807 2.638 1.00 0.69 H new ATOM 0 HA ASN A 10 -7.033 -13.781 4.060 1.00 0.82 H new ATOM 0 HB2 ASN A 10 -9.183 -15.625 3.022 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -7.503 -16.108 3.135 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -9.886 -16.100 6.456 1.00 1.48 H new ATOM 0 HD22 ASN A 10 -10.479 -15.566 4.880 1.00 1.48 H new ATOM 171 N TYR A 11 -6.856 -12.582 1.608 1.00 0.81 N ATOM 172 CA TYR A 11 -6.642 -12.145 0.233 1.00 0.86 C ATOM 173 C TYR A 11 -5.171 -12.293 -0.150 1.00 0.78 C ATOM 174 O TYR A 11 -4.360 -11.465 0.250 1.00 0.64 O ATOM 175 CB TYR A 11 -7.110 -10.690 0.140 1.00 0.86 C ATOM 176 CG TYR A 11 -7.383 -10.097 -1.231 1.00 0.93 C ATOM 177 CD1 TYR A 11 -7.253 -10.848 -2.415 1.00 2.28 C ATOM 178 CD2 TYR A 11 -7.800 -8.754 -1.307 1.00 1.80 C ATOM 179 CE1 TYR A 11 -7.644 -10.295 -3.643 1.00 2.46 C ATOM 180 CE2 TYR A 11 -8.141 -8.184 -2.546 1.00 1.85 C ATOM 181 CZ TYR A 11 -8.077 -8.963 -3.714 1.00 1.39 C ATOM 182 OH TYR A 11 -8.815 -8.591 -4.803 1.00 1.56 O ATOM 0 H TYR A 11 -6.621 -11.880 2.309 1.00 0.81 H new ATOM 0 HA TYR A 11 -7.209 -12.759 -0.467 1.00 0.86 H new ATOM 0 HB2 TYR A 11 -8.024 -10.599 0.727 1.00 0.86 H new ATOM 0 HB3 TYR A 11 -6.356 -10.069 0.624 1.00 0.86 H new ATOM 0 HD1 TYR A 11 -6.852 -11.850 -2.377 1.00 2.28 H new ATOM 0 HD2 TYR A 11 -7.858 -8.158 -0.408 1.00 1.80 H new ATOM 0 HE1 TYR A 11 -7.612 -10.898 -4.538 1.00 2.46 H new ATOM 0 HE2 TYR A 11 -8.451 -7.151 -2.600 1.00 1.85 H new ATOM 0 HH TYR A 11 -8.810 -7.614 -4.883 1.00 1.56 H new ATOM 192 N GLU A 12 -4.801 -13.339 -0.886 1.00 0.92 N ATOM 193 CA GLU A 12 -3.396 -13.656 -1.117 1.00 0.87 C ATOM 194 C GLU A 12 -2.785 -12.702 -2.147 1.00 0.72 C ATOM 195 O GLU A 12 -3.035 -12.839 -3.343 1.00 0.88 O ATOM 196 CB GLU A 12 -3.271 -15.126 -1.538 1.00 1.22 C ATOM 197 CG GLU A 12 -3.657 -16.041 -0.364 1.00 1.73 C ATOM 198 CD GLU A 12 -3.515 -17.525 -0.679 1.00 2.31 C ATOM 199 OE1 GLU A 12 -3.120 -17.843 -1.821 1.00 2.81 O ATOM 200 OE2 GLU A 12 -3.795 -18.315 0.248 1.00 3.22 O ATOM 0 H GLU A 12 -5.456 -13.981 -1.332 1.00 0.92 H new ATOM 0 HA GLU A 12 -2.832 -13.518 -0.195 1.00 0.87 H new ATOM 0 HB2 GLU A 12 -3.917 -15.325 -2.393 1.00 1.22 H new ATOM 0 HB3 GLU A 12 -2.250 -15.337 -1.854 1.00 1.22 H new ATOM 0 HG2 GLU A 12 -3.033 -15.799 0.496 1.00 1.73 H new ATOM 0 HG3 GLU A 12 -4.688 -15.835 -0.077 1.00 1.73 H new ATOM 207 N VAL A 13 -1.962 -11.751 -1.687 1.00 0.61 N ATOM 208 CA VAL A 13 -1.215 -10.877 -2.579 1.00 0.60 C ATOM 209 C VAL A 13 -0.025 -11.678 -3.113 1.00 0.64 C ATOM 210 O VAL A 13 0.576 -12.449 -2.362 1.00 0.77 O ATOM 211 CB VAL A 13 -0.818 -9.563 -1.877 1.00 0.74 C ATOM 212 CG1 VAL A 13 -1.918 -9.027 -0.952 1.00 2.10 C ATOM 213 CG2 VAL A 13 0.485 -9.617 -1.091 1.00 1.17 C ATOM 0 H VAL A 13 -1.801 -11.573 -0.696 1.00 0.61 H new ATOM 0 HA VAL A 13 -1.827 -10.558 -3.423 1.00 0.60 H new ATOM 0 HB VAL A 13 -0.668 -8.883 -2.716 1.00 0.74 H new ATOM 0 HG11 VAL A 13 -1.582 -8.101 -0.486 1.00 2.10 H new ATOM 0 HG12 VAL A 13 -2.820 -8.834 -1.533 1.00 2.10 H new ATOM 0 HG13 VAL A 13 -2.135 -9.764 -0.179 1.00 2.10 H new ATOM 0 HG21 VAL A 13 0.676 -8.645 -0.635 1.00 1.17 H new ATOM 0 HG22 VAL A 13 0.408 -10.375 -0.311 1.00 1.17 H new ATOM 0 HG23 VAL A 13 1.305 -9.870 -1.763 1.00 1.17 H new ATOM 223 N GLU A 14 0.288 -11.578 -4.408 1.00 0.72 N ATOM 224 CA GLU A 14 1.177 -12.568 -5.005 1.00 0.76 C ATOM 225 C GLU A 14 2.654 -12.312 -4.661 1.00 0.62 C ATOM 226 O GLU A 14 3.100 -11.162 -4.688 1.00 0.63 O ATOM 227 CB GLU A 14 0.940 -12.714 -6.511 1.00 1.00 C ATOM 228 CG GLU A 14 1.225 -11.460 -7.345 1.00 2.13 C ATOM 229 CD GLU A 14 1.205 -11.784 -8.833 1.00 3.02 C ATOM 230 OE1 GLU A 14 0.730 -12.889 -9.178 1.00 2.88 O ATOM 231 OE2 GLU A 14 1.644 -10.911 -9.609 1.00 4.62 O ATOM 0 H GLU A 14 -0.047 -10.850 -5.039 1.00 0.72 H new ATOM 0 HA GLU A 14 0.926 -13.529 -4.556 1.00 0.76 H new ATOM 0 HB2 GLU A 14 1.564 -13.527 -6.883 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -0.097 -13.009 -6.672 1.00 1.00 H new ATOM 0 HG2 GLU A 14 0.481 -10.695 -7.125 1.00 2.13 H new ATOM 0 HG3 GLU A 14 2.196 -11.048 -7.071 1.00 2.13 H new ATOM 238 N PRO A 15 3.436 -13.362 -4.343 1.00 0.58 N ATOM 239 CA PRO A 15 4.888 -13.280 -4.270 1.00 0.53 C ATOM 240 C PRO A 15 5.478 -12.661 -5.540 1.00 0.52 C ATOM 241 O PRO A 15 5.057 -12.996 -6.644 1.00 0.59 O ATOM 242 CB PRO A 15 5.379 -14.716 -4.073 1.00 0.59 C ATOM 243 CG PRO A 15 4.198 -15.396 -3.384 1.00 0.66 C ATOM 244 CD PRO A 15 2.992 -14.711 -4.027 1.00 0.68 C ATOM 0 HA PRO A 15 5.206 -12.636 -3.450 1.00 0.53 H new ATOM 0 HB2 PRO A 15 5.620 -15.193 -5.023 1.00 0.59 H new ATOM 0 HB3 PRO A 15 6.279 -14.753 -3.460 1.00 0.59 H new ATOM 0 HG2 PRO A 15 4.193 -16.472 -3.558 1.00 0.66 H new ATOM 0 HG3 PRO A 15 4.219 -15.248 -2.304 1.00 0.66 H new ATOM 0 HD2 PRO A 15 2.673 -15.240 -4.925 1.00 0.68 H new ATOM 0 HD3 PRO A 15 2.141 -14.695 -3.347 1.00 0.68 H new ATOM 252 N PHE A 16 6.461 -11.772 -5.385 1.00 0.48 N ATOM 253 CA PHE A 16 7.105 -11.036 -6.455 1.00 0.53 C ATOM 254 C PHE A 16 8.280 -10.331 -5.780 1.00 0.48 C ATOM 255 O PHE A 16 8.307 -10.264 -4.545 1.00 0.50 O ATOM 256 CB PHE A 16 6.117 -10.047 -7.094 1.00 0.67 C ATOM 257 CG PHE A 16 6.673 -9.270 -8.272 1.00 0.94 C ATOM 258 CD1 PHE A 16 6.643 -9.830 -9.563 1.00 1.71 C ATOM 259 CD2 PHE A 16 7.224 -7.989 -8.082 1.00 2.60 C ATOM 260 CE1 PHE A 16 7.165 -9.115 -10.655 1.00 1.76 C ATOM 261 CE2 PHE A 16 7.753 -7.278 -9.173 1.00 2.97 C ATOM 262 CZ PHE A 16 7.726 -7.840 -10.461 1.00 1.76 C ATOM 0 H PHE A 16 6.841 -11.541 -4.467 1.00 0.48 H new ATOM 0 HA PHE A 16 7.444 -11.674 -7.271 1.00 0.53 H new ATOM 0 HB2 PHE A 16 5.235 -10.596 -7.422 1.00 0.67 H new ATOM 0 HB3 PHE A 16 5.787 -9.340 -6.333 1.00 0.67 H new ATOM 0 HD1 PHE A 16 6.218 -10.811 -9.715 1.00 1.71 H new ATOM 0 HD2 PHE A 16 7.240 -7.551 -7.095 1.00 2.60 H new ATOM 0 HE1 PHE A 16 7.135 -9.546 -11.645 1.00 1.76 H new ATOM 0 HE2 PHE A 16 8.181 -6.298 -9.021 1.00 2.97 H new ATOM 0 HZ PHE A 16 8.135 -7.295 -11.299 1.00 1.76 H new ATOM 272 N THR A 17 9.237 -9.842 -6.568 1.00 0.49 N ATOM 273 CA THR A 17 10.414 -9.138 -6.086 1.00 0.47 C ATOM 274 C THR A 17 10.347 -7.693 -6.555 1.00 0.46 C ATOM 275 O THR A 17 10.523 -7.410 -7.737 1.00 0.62 O ATOM 276 CB THR A 17 11.684 -9.850 -6.553 1.00 0.52 C ATOM 277 OG1 THR A 17 11.666 -11.170 -6.040 1.00 0.59 O ATOM 278 CG2 THR A 17 12.910 -9.124 -5.996 1.00 0.54 C ATOM 0 H THR A 17 9.210 -9.929 -7.584 1.00 0.49 H new ATOM 0 HA THR A 17 10.441 -9.138 -4.996 1.00 0.47 H new ATOM 0 HB THR A 17 11.728 -9.859 -7.642 1.00 0.52 H new ATOM 0 HG1 THR A 17 12.473 -11.645 -6.330 1.00 0.59 H new ATOM 0 HG21 THR A 17 13.816 -9.631 -6.329 1.00 0.54 H new ATOM 0 HG22 THR A 17 12.918 -8.095 -6.355 1.00 0.54 H new ATOM 0 HG23 THR A 17 12.871 -9.128 -4.907 1.00 0.54 H new ATOM 286 N PHE A 18 10.086 -6.786 -5.619 1.00 0.48 N ATOM 287 CA PHE A 18 9.899 -5.373 -5.875 1.00 0.51 C ATOM 288 C PHE A 18 11.190 -4.632 -5.544 1.00 0.50 C ATOM 289 O PHE A 18 12.091 -5.189 -4.907 1.00 0.48 O ATOM 290 CB PHE A 18 8.785 -4.855 -4.964 1.00 0.52 C ATOM 291 CG PHE A 18 7.512 -5.684 -4.959 1.00 0.52 C ATOM 292 CD1 PHE A 18 7.378 -6.760 -4.060 1.00 1.96 C ATOM 293 CD2 PHE A 18 6.429 -5.327 -5.785 1.00 2.13 C ATOM 294 CE1 PHE A 18 6.189 -7.507 -4.023 1.00 1.90 C ATOM 295 CE2 PHE A 18 5.233 -6.063 -5.733 1.00 2.25 C ATOM 296 CZ PHE A 18 5.116 -7.157 -4.857 1.00 0.75 C ATOM 0 H PHE A 18 9.997 -7.028 -4.632 1.00 0.48 H new ATOM 0 HA PHE A 18 9.637 -5.213 -6.921 1.00 0.51 H new ATOM 0 HB2 PHE A 18 9.168 -4.801 -3.945 1.00 0.52 H new ATOM 0 HB3 PHE A 18 8.535 -3.838 -5.265 1.00 0.52 H new ATOM 0 HD1 PHE A 18 8.192 -7.012 -3.397 1.00 1.96 H new ATOM 0 HD2 PHE A 18 6.517 -4.487 -6.459 1.00 2.13 H new ATOM 0 HE1 PHE A 18 6.101 -8.350 -3.353 1.00 1.90 H new ATOM 0 HE2 PHE A 18 4.403 -5.788 -6.367 1.00 2.25 H new ATOM 0 HZ PHE A 18 4.200 -7.728 -4.826 1.00 0.75 H new ATOM 306 N GLN A 19 11.246 -3.353 -5.920 1.00 0.55 N ATOM 307 CA GLN A 19 12.260 -2.436 -5.447 1.00 0.58 C ATOM 308 C GLN A 19 11.580 -1.233 -4.802 1.00 0.59 C ATOM 309 O GLN A 19 10.580 -0.729 -5.314 1.00 0.58 O ATOM 310 CB GLN A 19 13.185 -2.010 -6.584 1.00 0.58 C ATOM 311 CG GLN A 19 13.848 -3.230 -7.236 1.00 0.65 C ATOM 312 CD GLN A 19 14.924 -2.841 -8.240 1.00 1.07 C ATOM 313 OE1 GLN A 19 14.750 -3.010 -9.441 1.00 1.40 O ATOM 314 NE2 GLN A 19 16.056 -2.330 -7.769 1.00 1.97 N ATOM 0 H GLN A 19 10.580 -2.931 -6.566 1.00 0.55 H new ATOM 0 HA GLN A 19 12.881 -2.934 -4.702 1.00 0.58 H new ATOM 0 HB2 GLN A 19 12.617 -1.456 -7.332 1.00 0.58 H new ATOM 0 HB3 GLN A 19 13.951 -1.336 -6.202 1.00 0.58 H new ATOM 0 HG2 GLN A 19 14.288 -3.858 -6.461 1.00 0.65 H new ATOM 0 HG3 GLN A 19 13.087 -3.829 -7.737 1.00 0.65 H new ATOM 0 HE21 GLN A 19 16.177 -2.199 -6.765 1.00 1.97 H new ATOM 0 HE22 GLN A 19 16.804 -2.069 -8.412 1.00 1.97 H new ATOM 323 N ASN A 20 12.124 -0.805 -3.667 1.00 0.65 N ATOM 324 CA ASN A 20 11.703 0.379 -2.932 1.00 0.67 C ATOM 325 C ASN A 20 12.243 1.671 -3.562 1.00 0.82 C ATOM 326 O ASN A 20 12.929 1.650 -4.585 1.00 1.03 O ATOM 327 CB ASN A 20 11.926 0.214 -1.415 1.00 0.68 C ATOM 328 CG ASN A 20 13.281 0.680 -0.895 1.00 0.93 C ATOM 329 OD1 ASN A 20 14.118 1.172 -1.644 1.00 1.29 O ATOM 330 ND2 ASN A 20 13.514 0.537 0.404 1.00 0.95 N ATOM 0 H ASN A 20 12.899 -1.293 -3.219 1.00 0.65 H new ATOM 0 HA ASN A 20 10.623 0.488 -3.026 1.00 0.67 H new ATOM 0 HB2 ASN A 20 11.146 0.764 -0.889 1.00 0.68 H new ATOM 0 HB3 ASN A 20 11.801 -0.838 -1.160 1.00 0.68 H new ATOM 0 HD21 ASN A 20 14.405 0.839 0.799 1.00 0.95 H new ATOM 0 HD22 ASN A 20 12.802 0.125 1.007 1.00 0.95 H new ATOM 337 N GLN A 21 11.905 2.812 -2.961 1.00 0.80 N ATOM 338 CA GLN A 21 12.167 4.151 -3.477 1.00 1.09 C ATOM 339 C GLN A 21 13.661 4.437 -3.522 1.00 1.26 C ATOM 340 O GLN A 21 14.127 5.279 -4.287 1.00 1.58 O ATOM 341 CB GLN A 21 11.430 5.194 -2.624 1.00 1.10 C ATOM 342 CG GLN A 21 11.960 5.397 -1.186 1.00 1.18 C ATOM 343 CD GLN A 21 11.907 4.170 -0.269 1.00 1.80 C ATOM 344 OE1 GLN A 21 11.001 3.351 -0.363 1.00 3.73 O ATOM 345 NE2 GLN A 21 12.879 3.994 0.611 1.00 1.57 N ATOM 0 H GLN A 21 11.421 2.826 -2.063 1.00 0.80 H new ATOM 0 HA GLN A 21 11.793 4.210 -4.499 1.00 1.09 H new ATOM 0 HB2 GLN A 21 11.471 6.152 -3.143 1.00 1.10 H new ATOM 0 HB3 GLN A 21 10.380 4.908 -2.565 1.00 1.10 H new ATOM 0 HG2 GLN A 21 12.994 5.736 -1.246 1.00 1.18 H new ATOM 0 HG3 GLN A 21 11.388 6.199 -0.719 1.00 1.18 H new ATOM 0 HE21 GLN A 21 13.631 4.680 0.685 1.00 1.57 H new ATOM 0 HE22 GLN A 21 12.877 3.173 1.216 1.00 1.57 H new ATOM 354 N ASP A 22 14.389 3.721 -2.670 1.00 1.20 N ATOM 355 CA ASP A 22 15.821 3.720 -2.524 1.00 1.30 C ATOM 356 C ASP A 22 16.416 2.535 -3.290 1.00 1.08 C ATOM 357 O ASP A 22 17.485 2.030 -2.958 1.00 1.15 O ATOM 358 CB ASP A 22 16.080 3.797 -1.019 1.00 1.68 C ATOM 359 CG ASP A 22 15.948 5.243 -0.544 1.00 3.18 C ATOM 360 OD1 ASP A 22 16.696 6.119 -1.028 1.00 4.15 O ATOM 361 OD2 ASP A 22 14.990 5.563 0.194 1.00 4.11 O ATOM 0 H ASP A 22 13.945 3.077 -2.015 1.00 1.20 H new ATOM 0 HA ASP A 22 16.335 4.570 -2.974 1.00 1.30 H new ATOM 0 HB2 ASP A 22 15.371 3.163 -0.486 1.00 1.68 H new ATOM 0 HB3 ASP A 22 17.077 3.420 -0.793 1.00 1.68 H new ATOM 366 N GLY A 23 15.715 2.109 -4.352 1.00 1.07 N ATOM 367 CA GLY A 23 16.134 1.077 -5.285 1.00 1.14 C ATOM 368 C GLY A 23 16.203 -0.295 -4.628 1.00 1.30 C ATOM 369 O GLY A 23 16.653 -1.262 -5.245 1.00 1.68 O ATOM 0 H GLY A 23 14.801 2.498 -4.585 1.00 1.07 H new ATOM 0 HA2 GLY A 23 15.438 1.043 -6.123 1.00 1.14 H new ATOM 0 HA3 GLY A 23 17.112 1.333 -5.693 1.00 1.14 H new ATOM 373 N LYS A 24 15.789 -0.398 -3.366 1.00 1.12 N ATOM 374 CA LYS A 24 16.209 -1.488 -2.524 1.00 1.09 C ATOM 375 C LYS A 24 15.319 -2.689 -2.814 1.00 0.86 C ATOM 376 O LYS A 24 14.099 -2.592 -2.727 1.00 0.85 O ATOM 377 CB LYS A 24 16.147 -1.034 -1.059 1.00 1.25 C ATOM 378 CG LYS A 24 17.212 -1.667 -0.169 1.00 1.24 C ATOM 379 CD LYS A 24 17.120 -3.190 -0.348 1.00 1.58 C ATOM 380 CE LYS A 24 17.668 -4.123 0.728 1.00 2.02 C ATOM 381 NZ LYS A 24 17.431 -5.521 0.299 1.00 3.13 N ATOM 0 H LYS A 24 15.162 0.268 -2.915 1.00 1.12 H new ATOM 0 HA LYS A 24 17.238 -1.785 -2.725 1.00 1.09 H new ATOM 0 HB2 LYS A 24 16.253 0.050 -1.020 1.00 1.25 H new ATOM 0 HB3 LYS A 24 15.163 -1.273 -0.656 1.00 1.25 H new ATOM 0 HG2 LYS A 24 18.204 -1.308 -0.444 1.00 1.24 H new ATOM 0 HG3 LYS A 24 17.052 -1.393 0.874 1.00 1.24 H new ATOM 0 HD2 LYS A 24 16.067 -3.437 -0.484 1.00 1.58 H new ATOM 0 HD3 LYS A 24 17.628 -3.437 -1.280 1.00 1.58 H new ATOM 0 HE2 LYS A 24 18.733 -3.947 0.876 1.00 2.02 H new ATOM 0 HE3 LYS A 24 17.178 -3.931 1.682 1.00 2.02 H new ATOM 0 HZ1 LYS A 24 17.705 -6.170 1.064 1.00 3.13 H new ATOM 0 HZ2 LYS A 24 16.423 -5.651 0.080 1.00 3.13 H new ATOM 0 HZ3 LYS A 24 17.999 -5.725 -0.548 1.00 3.13 H new ATOM 395 N ASN A 25 15.936 -3.832 -3.104 1.00 0.77 N ATOM 396 CA ASN A 25 15.235 -5.053 -3.465 1.00 0.62 C ATOM 397 C ASN A 25 14.575 -5.664 -2.227 1.00 0.61 C ATOM 398 O ASN A 25 15.233 -5.870 -1.200 1.00 0.69 O ATOM 399 CB ASN A 25 16.204 -6.060 -4.109 1.00 0.68 C ATOM 400 CG ASN A 25 17.245 -6.631 -3.138 1.00 2.35 C ATOM 401 OD1 ASN A 25 17.840 -5.910 -2.334 1.00 3.35 O ATOM 402 ND2 ASN A 25 17.474 -7.939 -3.188 1.00 3.21 N ATOM 0 H ASN A 25 16.951 -3.933 -3.094 1.00 0.77 H new ATOM 0 HA ASN A 25 14.460 -4.810 -4.192 1.00 0.62 H new ATOM 0 HB2 ASN A 25 15.628 -6.882 -4.533 1.00 0.68 H new ATOM 0 HB3 ASN A 25 16.721 -5.573 -4.936 1.00 0.68 H new ATOM 0 HD21 ASN A 25 18.152 -8.363 -2.554 1.00 3.21 H new ATOM 0 HD22 ASN A 25 16.972 -8.519 -3.860 1.00 3.21 H new ATOM 409 N VAL A 26 13.272 -5.934 -2.331 1.00 0.54 N ATOM 410 CA VAL A 26 12.475 -6.571 -1.301 1.00 0.52 C ATOM 411 C VAL A 26 11.380 -7.385 -1.996 1.00 0.61 C ATOM 412 O VAL A 26 10.708 -6.879 -2.895 1.00 0.73 O ATOM 413 CB VAL A 26 11.884 -5.523 -0.335 1.00 0.55 C ATOM 414 CG1 VAL A 26 12.931 -4.993 0.653 1.00 0.94 C ATOM 415 CG2 VAL A 26 11.237 -4.326 -1.040 1.00 0.96 C ATOM 0 H VAL A 26 12.732 -5.704 -3.166 1.00 0.54 H new ATOM 0 HA VAL A 26 13.093 -7.233 -0.694 1.00 0.52 H new ATOM 0 HB VAL A 26 11.105 -6.065 0.201 1.00 0.55 H new ATOM 0 HG11 VAL A 26 12.470 -4.258 1.313 1.00 0.94 H new ATOM 0 HG12 VAL A 26 13.322 -5.819 1.247 1.00 0.94 H new ATOM 0 HG13 VAL A 26 13.747 -4.524 0.102 1.00 0.94 H new ATOM 0 HG21 VAL A 26 10.845 -3.634 -0.295 1.00 0.96 H new ATOM 0 HG22 VAL A 26 11.982 -3.817 -1.651 1.00 0.96 H new ATOM 0 HG23 VAL A 26 10.423 -4.675 -1.676 1.00 0.96 H new ATOM 425 N SER A 27 11.213 -8.646 -1.603 1.00 0.64 N ATOM 426 CA SER A 27 10.171 -9.525 -2.111 1.00 0.70 C ATOM 427 C SER A 27 9.119 -9.716 -1.027 1.00 0.65 C ATOM 428 O SER A 27 9.401 -9.462 0.143 1.00 0.60 O ATOM 429 CB SER A 27 10.792 -10.877 -2.490 1.00 0.75 C ATOM 430 OG SER A 27 11.926 -10.701 -3.315 1.00 1.60 O ATOM 0 H SER A 27 11.813 -9.091 -0.908 1.00 0.64 H new ATOM 0 HA SER A 27 9.705 -9.089 -2.994 1.00 0.70 H new ATOM 0 HB2 SER A 27 11.076 -11.417 -1.587 1.00 0.75 H new ATOM 0 HB3 SER A 27 10.053 -11.488 -3.008 1.00 0.75 H new ATOM 0 HG SER A 27 11.706 -10.963 -4.233 1.00 1.60 H new ATOM 436 N LEU A 28 7.935 -10.235 -1.368 1.00 0.69 N ATOM 437 CA LEU A 28 6.995 -10.668 -0.355 1.00 0.64 C ATOM 438 C LEU A 28 7.687 -11.645 0.599 1.00 0.53 C ATOM 439 O LEU A 28 7.511 -11.560 1.804 1.00 0.50 O ATOM 440 CB LEU A 28 5.797 -11.313 -1.045 1.00 0.71 C ATOM 441 CG LEU A 28 4.481 -11.033 -0.326 1.00 0.78 C ATOM 442 CD1 LEU A 28 3.411 -11.702 -1.174 1.00 2.25 C ATOM 443 CD2 LEU A 28 4.471 -11.588 1.098 1.00 2.24 C ATOM 0 H LEU A 28 7.616 -10.360 -2.329 1.00 0.69 H new ATOM 0 HA LEU A 28 6.644 -9.820 0.233 1.00 0.64 H new ATOM 0 HB2 LEU A 28 5.732 -10.946 -2.069 1.00 0.71 H new ATOM 0 HB3 LEU A 28 5.953 -12.390 -1.102 1.00 0.71 H new ATOM 0 HG LEU A 28 4.315 -9.961 -0.220 1.00 0.78 H new ATOM 0 HD11 LEU A 28 2.434 -11.543 -0.718 1.00 2.25 H new ATOM 0 HD12 LEU A 28 3.419 -11.272 -2.175 1.00 2.25 H new ATOM 0 HD13 LEU A 28 3.612 -12.771 -1.237 1.00 2.25 H new ATOM 0 HD21 LEU A 28 3.514 -11.364 1.569 1.00 2.24 H new ATOM 0 HD22 LEU A 28 4.617 -12.668 1.069 1.00 2.24 H new ATOM 0 HD23 LEU A 28 5.275 -11.129 1.673 1.00 2.24 H new ATOM 455 N GLU A 29 8.525 -12.539 0.068 1.00 0.59 N ATOM 456 CA GLU A 29 9.322 -13.461 0.870 1.00 0.61 C ATOM 457 C GLU A 29 10.162 -12.735 1.936 1.00 0.51 C ATOM 458 O GLU A 29 10.332 -13.237 3.042 1.00 0.54 O ATOM 459 CB GLU A 29 10.165 -14.330 -0.056 1.00 0.86 C ATOM 460 CG GLU A 29 10.537 -15.668 0.592 1.00 1.79 C ATOM 461 CD GLU A 29 11.226 -16.584 -0.408 1.00 2.81 C ATOM 462 OE1 GLU A 29 12.198 -16.104 -1.031 1.00 3.39 O ATOM 463 OE2 GLU A 29 10.747 -17.729 -0.548 1.00 4.07 O ATOM 0 H GLU A 29 8.668 -12.641 -0.937 1.00 0.59 H new ATOM 0 HA GLU A 29 8.651 -14.109 1.434 1.00 0.61 H new ATOM 0 HB2 GLU A 29 9.616 -14.515 -0.979 1.00 0.86 H new ATOM 0 HB3 GLU A 29 11.074 -13.794 -0.328 1.00 0.86 H new ATOM 0 HG2 GLU A 29 11.194 -15.493 1.444 1.00 1.79 H new ATOM 0 HG3 GLU A 29 9.639 -16.152 0.976 1.00 1.79 H new ATOM 470 N SER A 30 10.634 -11.523 1.628 1.00 0.50 N ATOM 471 CA SER A 30 11.345 -10.650 2.557 1.00 0.55 C ATOM 472 C SER A 30 10.476 -10.127 3.712 1.00 0.50 C ATOM 473 O SER A 30 10.967 -9.345 4.524 1.00 0.70 O ATOM 474 CB SER A 30 12.015 -9.511 1.804 1.00 0.68 C ATOM 475 OG SER A 30 12.510 -9.942 0.548 1.00 1.54 O ATOM 0 H SER A 30 10.527 -11.114 0.700 1.00 0.50 H new ATOM 0 HA SER A 30 12.110 -11.264 3.032 1.00 0.55 H new ATOM 0 HB2 SER A 30 11.301 -8.701 1.657 1.00 0.68 H new ATOM 0 HB3 SER A 30 12.834 -9.110 2.401 1.00 0.68 H new ATOM 0 HG SER A 30 13.296 -9.409 0.306 1.00 1.54 H new ATOM 481 N LEU A 31 9.175 -10.435 3.700 1.00 0.38 N ATOM 482 CA LEU A 31 8.171 -10.071 4.694 1.00 0.44 C ATOM 483 C LEU A 31 7.406 -11.300 5.223 1.00 0.55 C ATOM 484 O LEU A 31 6.947 -11.305 6.361 1.00 0.78 O ATOM 485 CB LEU A 31 7.169 -9.109 4.041 1.00 0.46 C ATOM 486 CG LEU A 31 7.824 -7.882 3.391 1.00 0.41 C ATOM 487 CD1 LEU A 31 6.851 -7.206 2.424 1.00 0.53 C ATOM 488 CD2 LEU A 31 8.251 -6.895 4.478 1.00 0.42 C ATOM 0 H LEU A 31 8.772 -10.984 2.940 1.00 0.38 H new ATOM 0 HA LEU A 31 8.681 -9.607 5.538 1.00 0.44 H new ATOM 0 HB2 LEU A 31 6.600 -9.650 3.284 1.00 0.46 H new ATOM 0 HB3 LEU A 31 6.457 -8.773 4.795 1.00 0.46 H new ATOM 0 HG LEU A 31 8.701 -8.205 2.829 1.00 0.41 H new ATOM 0 HD11 LEU A 31 7.331 -6.338 1.972 1.00 0.53 H new ATOM 0 HD12 LEU A 31 6.566 -7.911 1.643 1.00 0.53 H new ATOM 0 HD13 LEU A 31 5.961 -6.887 2.967 1.00 0.53 H new ATOM 0 HD21 LEU A 31 8.716 -6.024 4.016 1.00 0.42 H new ATOM 0 HD22 LEU A 31 7.377 -6.580 5.048 1.00 0.42 H new ATOM 0 HD23 LEU A 31 8.965 -7.376 5.146 1.00 0.42 H new ATOM 500 N LYS A 32 7.202 -12.322 4.385 1.00 0.50 N ATOM 501 CA LYS A 32 6.390 -13.491 4.673 1.00 0.53 C ATOM 502 C LYS A 32 6.802 -14.117 6.007 1.00 0.55 C ATOM 503 O LYS A 32 7.990 -14.290 6.273 1.00 0.78 O ATOM 504 CB LYS A 32 6.504 -14.471 3.515 1.00 0.64 C ATOM 505 CG LYS A 32 5.282 -15.396 3.470 1.00 0.79 C ATOM 506 CD LYS A 32 5.265 -16.031 2.086 1.00 1.52 C ATOM 507 CE LYS A 32 4.544 -17.383 2.035 1.00 1.64 C ATOM 508 NZ LYS A 32 5.319 -18.449 2.701 1.00 2.80 N ATOM 0 H LYS A 32 7.617 -12.351 3.454 1.00 0.50 H new ATOM 0 HA LYS A 32 5.344 -13.203 4.775 1.00 0.53 H new ATOM 0 HB2 LYS A 32 6.588 -13.924 2.576 1.00 0.64 H new ATOM 0 HB3 LYS A 32 7.412 -15.064 3.621 1.00 0.64 H new ATOM 0 HG2 LYS A 32 5.346 -16.159 4.245 1.00 0.79 H new ATOM 0 HG3 LYS A 32 4.365 -14.835 3.650 1.00 0.79 H new ATOM 0 HD2 LYS A 32 4.783 -15.346 1.388 1.00 1.52 H new ATOM 0 HD3 LYS A 32 6.292 -16.164 1.745 1.00 1.52 H new ATOM 0 HE2 LYS A 32 3.568 -17.292 2.513 1.00 1.64 H new ATOM 0 HE3 LYS A 32 4.366 -17.660 0.996 1.00 1.64 H new ATOM 0 HZ1 LYS A 32 4.865 -19.368 2.528 1.00 2.80 H new ATOM 0 HZ2 LYS A 32 6.287 -18.464 2.321 1.00 2.80 H new ATOM 0 HZ3 LYS A 32 5.352 -18.267 3.724 1.00 2.80 H new ATOM 522 N GLY A 33 5.822 -14.434 6.851 1.00 0.46 N ATOM 523 CA GLY A 33 6.032 -14.788 8.244 1.00 0.47 C ATOM 524 C GLY A 33 5.578 -13.642 9.145 1.00 0.42 C ATOM 525 O GLY A 33 4.919 -13.887 10.153 1.00 0.43 O ATOM 0 H GLY A 33 4.840 -14.451 6.575 1.00 0.46 H new ATOM 0 HA2 GLY A 33 5.477 -15.694 8.486 1.00 0.47 H new ATOM 0 HA3 GLY A 33 7.086 -15.004 8.419 1.00 0.47 H new ATOM 529 N GLU A 34 5.900 -12.401 8.770 1.00 0.47 N ATOM 530 CA GLU A 34 5.579 -11.215 9.552 1.00 0.44 C ATOM 531 C GLU A 34 4.255 -10.600 9.081 1.00 0.37 C ATOM 532 O GLU A 34 3.842 -10.779 7.935 1.00 0.49 O ATOM 533 CB GLU A 34 6.749 -10.225 9.451 1.00 0.51 C ATOM 534 CG GLU A 34 8.021 -10.783 10.107 1.00 0.93 C ATOM 535 CD GLU A 34 7.964 -10.658 11.623 1.00 2.13 C ATOM 536 OE1 GLU A 34 8.216 -9.531 12.102 1.00 3.09 O ATOM 537 OE2 GLU A 34 7.652 -11.677 12.274 1.00 3.20 O ATOM 0 H GLU A 34 6.397 -12.195 7.903 1.00 0.47 H new ATOM 0 HA GLU A 34 5.442 -11.481 10.600 1.00 0.44 H new ATOM 0 HB2 GLU A 34 6.948 -10.002 8.403 1.00 0.51 H new ATOM 0 HB3 GLU A 34 6.474 -9.286 9.931 1.00 0.51 H new ATOM 0 HG2 GLU A 34 8.145 -11.830 9.831 1.00 0.93 H new ATOM 0 HG3 GLU A 34 8.892 -10.248 9.729 1.00 0.93 H new ATOM 544 N VAL A 35 3.577 -9.876 9.973 1.00 0.28 N ATOM 545 CA VAL A 35 2.312 -9.195 9.705 1.00 0.29 C ATOM 546 C VAL A 35 2.595 -7.787 9.200 1.00 0.28 C ATOM 547 O VAL A 35 2.457 -6.793 9.910 1.00 0.32 O ATOM 548 CB VAL A 35 1.409 -9.269 10.943 1.00 0.33 C ATOM 549 CG1 VAL A 35 2.012 -8.741 12.255 1.00 0.35 C ATOM 550 CG2 VAL A 35 0.040 -8.629 10.688 1.00 0.39 C ATOM 0 H VAL A 35 3.904 -9.744 10.930 1.00 0.28 H new ATOM 0 HA VAL A 35 1.754 -9.690 8.911 1.00 0.29 H new ATOM 0 HB VAL A 35 1.293 -10.341 11.102 1.00 0.33 H new ATOM 0 HG11 VAL A 35 1.283 -8.845 13.058 1.00 0.35 H new ATOM 0 HG12 VAL A 35 2.906 -9.314 12.501 1.00 0.35 H new ATOM 0 HG13 VAL A 35 2.275 -7.690 12.137 1.00 0.35 H new ATOM 0 HG21 VAL A 35 -0.569 -8.702 11.589 1.00 0.39 H new ATOM 0 HG22 VAL A 35 0.172 -7.580 10.424 1.00 0.39 H new ATOM 0 HG23 VAL A 35 -0.458 -9.149 9.870 1.00 0.39 H new ATOM 560 N TRP A 36 3.030 -7.715 7.949 1.00 0.38 N ATOM 561 CA TRP A 36 3.465 -6.471 7.360 1.00 0.33 C ATOM 562 C TRP A 36 2.267 -5.626 6.926 1.00 0.32 C ATOM 563 O TRP A 36 1.301 -6.123 6.343 1.00 0.32 O ATOM 564 CB TRP A 36 4.450 -6.763 6.228 1.00 0.32 C ATOM 565 CG TRP A 36 3.940 -7.591 5.091 1.00 0.30 C ATOM 566 CD1 TRP A 36 3.825 -8.936 5.037 1.00 0.34 C ATOM 567 CD2 TRP A 36 3.523 -7.109 3.791 1.00 0.32 C ATOM 568 NE1 TRP A 36 3.376 -9.312 3.789 1.00 0.36 N ATOM 569 CE2 TRP A 36 3.224 -8.220 2.953 1.00 0.37 C ATOM 570 CE3 TRP A 36 3.398 -5.824 3.244 1.00 0.36 C ATOM 571 CZ2 TRP A 36 2.841 -8.051 1.611 1.00 0.44 C ATOM 572 CZ3 TRP A 36 2.980 -5.644 1.917 1.00 0.44 C ATOM 573 CH2 TRP A 36 2.749 -6.748 1.090 1.00 0.46 C ATOM 0 H TRP A 36 3.088 -8.518 7.322 1.00 0.38 H new ATOM 0 HA TRP A 36 3.994 -5.870 8.100 1.00 0.33 H new ATOM 0 HB2 TRP A 36 4.799 -5.812 5.827 1.00 0.32 H new ATOM 0 HB3 TRP A 36 5.318 -7.267 6.653 1.00 0.32 H new ATOM 0 HD1 TRP A 36 4.050 -9.613 5.848 1.00 0.34 H new ATOM 0 HE1 TRP A 36 3.180 -10.275 3.516 1.00 0.36 H new ATOM 0 HE3 TRP A 36 3.627 -4.961 3.852 1.00 0.36 H new ATOM 0 HZ2 TRP A 36 2.621 -8.907 0.991 1.00 0.44 H new ATOM 0 HZ3 TRP A 36 2.836 -4.646 1.531 1.00 0.44 H new ATOM 0 HH2 TRP A 36 2.500 -6.600 0.050 1.00 0.46 H new ATOM 584 N LEU A 37 2.321 -4.333 7.249 1.00 0.47 N ATOM 585 CA LEU A 37 1.292 -3.392 6.856 1.00 0.53 C ATOM 586 C LEU A 37 1.528 -2.970 5.405 1.00 0.51 C ATOM 587 O LEU A 37 2.665 -2.963 4.929 1.00 0.44 O ATOM 588 CB LEU A 37 1.275 -2.187 7.803 1.00 0.62 C ATOM 589 CG LEU A 37 1.097 -2.505 9.304 1.00 0.65 C ATOM 590 CD1 LEU A 37 0.552 -1.253 10.003 1.00 0.82 C ATOM 591 CD2 LEU A 37 0.113 -3.651 9.569 1.00 0.69 C ATOM 0 H LEU A 37 3.080 -3.918 7.789 1.00 0.47 H new ATOM 0 HA LEU A 37 0.313 -3.865 6.924 1.00 0.53 H new ATOM 0 HB2 LEU A 37 2.208 -1.638 7.677 1.00 0.62 H new ATOM 0 HB3 LEU A 37 0.469 -1.520 7.496 1.00 0.62 H new ATOM 0 HG LEU A 37 2.072 -2.809 9.684 1.00 0.65 H new ATOM 0 HD11 LEU A 37 0.419 -1.458 11.065 1.00 0.82 H new ATOM 0 HD12 LEU A 37 1.256 -0.431 9.877 1.00 0.82 H new ATOM 0 HD13 LEU A 37 -0.407 -0.980 9.564 1.00 0.82 H new ATOM 0 HD21 LEU A 37 0.035 -3.822 10.643 1.00 0.69 H new ATOM 0 HD22 LEU A 37 -0.867 -3.388 9.171 1.00 0.69 H new ATOM 0 HD23 LEU A 37 0.471 -4.558 9.082 1.00 0.69 H new ATOM 603 N ALA A 38 0.449 -2.629 4.703 1.00 0.66 N ATOM 604 CA ALA A 38 0.468 -2.219 3.313 1.00 0.67 C ATOM 605 C ALA A 38 -0.441 -1.010 3.131 1.00 0.79 C ATOM 606 O ALA A 38 -1.457 -0.872 3.817 1.00 1.33 O ATOM 607 CB ALA A 38 0.053 -3.390 2.424 1.00 0.78 C ATOM 0 H ALA A 38 -0.489 -2.633 5.105 1.00 0.66 H new ATOM 0 HA ALA A 38 1.476 -1.926 3.018 1.00 0.67 H new ATOM 0 HB1 ALA A 38 0.069 -3.078 1.380 1.00 0.78 H new ATOM 0 HB2 ALA A 38 0.748 -4.218 2.565 1.00 0.78 H new ATOM 0 HB3 ALA A 38 -0.954 -3.711 2.692 1.00 0.78 H new ATOM 613 N ASP A 39 -0.059 -0.152 2.192 1.00 0.53 N ATOM 614 CA ASP A 39 -0.807 1.001 1.733 1.00 0.58 C ATOM 615 C ASP A 39 -0.368 1.277 0.295 1.00 0.67 C ATOM 616 O ASP A 39 0.431 0.525 -0.275 1.00 1.52 O ATOM 617 CB ASP A 39 -0.618 2.202 2.671 1.00 0.80 C ATOM 618 CG ASP A 39 0.746 2.856 2.524 1.00 2.02 C ATOM 619 OD1 ASP A 39 0.894 3.639 1.563 1.00 3.55 O ATOM 620 OD2 ASP A 39 1.620 2.589 3.374 1.00 2.57 O ATOM 0 H ASP A 39 0.832 -0.253 1.706 1.00 0.53 H new ATOM 0 HA ASP A 39 -1.880 0.808 1.748 1.00 0.58 H new ATOM 0 HB2 ASP A 39 -1.394 2.941 2.469 1.00 0.80 H new ATOM 0 HB3 ASP A 39 -0.750 1.876 3.703 1.00 0.80 H new ATOM 625 N PHE A 40 -0.937 2.305 -0.324 1.00 0.77 N ATOM 626 CA PHE A 40 -0.590 2.689 -1.676 1.00 0.79 C ATOM 627 C PHE A 40 -0.896 4.170 -1.865 1.00 0.90 C ATOM 628 O PHE A 40 -1.925 4.651 -1.386 1.00 1.26 O ATOM 629 CB PHE A 40 -1.318 1.779 -2.676 1.00 1.06 C ATOM 630 CG PHE A 40 -2.708 1.329 -2.258 1.00 1.19 C ATOM 631 CD1 PHE A 40 -3.796 2.218 -2.314 1.00 2.37 C ATOM 632 CD2 PHE A 40 -2.894 0.034 -1.738 1.00 1.96 C ATOM 633 CE1 PHE A 40 -5.064 1.803 -1.871 1.00 2.55 C ATOM 634 CE2 PHE A 40 -4.178 -0.405 -1.376 1.00 2.31 C ATOM 635 CZ PHE A 40 -5.266 0.479 -1.445 1.00 1.94 C ATOM 0 H PHE A 40 -1.653 2.893 0.103 1.00 0.77 H new ATOM 0 HA PHE A 40 0.476 2.556 -1.861 1.00 0.79 H new ATOM 0 HB2 PHE A 40 -1.396 2.304 -3.628 1.00 1.06 H new ATOM 0 HB3 PHE A 40 -0.705 0.894 -2.849 1.00 1.06 H new ATOM 0 HD1 PHE A 40 -3.658 3.218 -2.697 1.00 2.37 H new ATOM 0 HD2 PHE A 40 -2.046 -0.624 -1.617 1.00 1.96 H new ATOM 0 HE1 PHE A 40 -5.886 2.504 -1.858 1.00 2.55 H new ATOM 0 HE2 PHE A 40 -4.328 -1.422 -1.045 1.00 2.31 H new ATOM 0 HZ PHE A 40 -6.255 0.143 -1.172 1.00 1.94 H new ATOM 645 N ILE A 41 0.011 4.900 -2.526 1.00 0.74 N ATOM 646 CA ILE A 41 -0.074 6.350 -2.663 1.00 1.01 C ATOM 647 C ILE A 41 0.346 6.800 -4.062 1.00 0.76 C ATOM 648 O ILE A 41 1.060 6.088 -4.769 1.00 0.55 O ATOM 649 CB ILE A 41 0.735 7.070 -1.570 1.00 1.42 C ATOM 650 CG1 ILE A 41 2.230 6.715 -1.621 1.00 1.57 C ATOM 651 CG2 ILE A 41 0.142 6.785 -0.182 1.00 1.86 C ATOM 652 CD1 ILE A 41 3.053 7.752 -0.856 1.00 1.87 C ATOM 0 H ILE A 41 0.828 4.494 -2.982 1.00 0.74 H new ATOM 0 HA ILE A 41 -1.118 6.632 -2.528 1.00 1.01 H new ATOM 0 HB ILE A 41 0.662 8.140 -1.764 1.00 1.42 H new ATOM 0 HG12 ILE A 41 2.390 5.726 -1.191 1.00 1.57 H new ATOM 0 HG13 ILE A 41 2.564 6.670 -2.658 1.00 1.57 H new ATOM 0 HG21 ILE A 41 0.728 7.303 0.577 1.00 1.86 H new ATOM 0 HG22 ILE A 41 -0.889 7.137 -0.148 1.00 1.86 H new ATOM 0 HG23 ILE A 41 0.166 5.712 0.011 1.00 1.86 H new ATOM 0 HD11 ILE A 41 4.109 7.485 -0.903 1.00 1.87 H new ATOM 0 HD12 ILE A 41 2.907 8.735 -1.304 1.00 1.87 H new ATOM 0 HD13 ILE A 41 2.731 7.777 0.185 1.00 1.87 H new ATOM 664 N PHE A 42 -0.119 7.993 -4.439 1.00 1.00 N ATOM 665 CA PHE A 42 0.137 8.677 -5.695 1.00 0.78 C ATOM 666 C PHE A 42 0.468 10.130 -5.346 1.00 0.85 C ATOM 667 O PHE A 42 0.153 10.600 -4.253 1.00 1.34 O ATOM 668 CB PHE A 42 -1.079 8.601 -6.644 1.00 0.83 C ATOM 669 CG PHE A 42 -2.456 8.510 -5.984 1.00 1.00 C ATOM 670 CD1 PHE A 42 -2.866 7.321 -5.346 1.00 2.04 C ATOM 671 CD2 PHE A 42 -3.362 9.585 -6.071 1.00 1.79 C ATOM 672 CE1 PHE A 42 -4.170 7.181 -4.848 1.00 2.23 C ATOM 673 CE2 PHE A 42 -4.665 9.454 -5.552 1.00 1.82 C ATOM 674 CZ PHE A 42 -5.078 8.242 -4.971 1.00 1.37 C ATOM 0 H PHE A 42 -0.726 8.539 -3.828 1.00 1.00 H new ATOM 0 HA PHE A 42 0.964 8.202 -6.224 1.00 0.78 H new ATOM 0 HB2 PHE A 42 -1.066 9.482 -7.286 1.00 0.83 H new ATOM 0 HB3 PHE A 42 -0.953 7.733 -7.291 1.00 0.83 H new ATOM 0 HD1 PHE A 42 -2.166 6.506 -5.239 1.00 2.04 H new ATOM 0 HD2 PHE A 42 -3.057 10.511 -6.536 1.00 1.79 H new ATOM 0 HE1 PHE A 42 -4.473 6.260 -4.372 1.00 2.23 H new ATOM 0 HE2 PHE A 42 -5.350 10.288 -5.601 1.00 1.82 H new ATOM 0 HZ PHE A 42 -6.093 8.129 -4.620 1.00 1.37 H new ATOM 684 N THR A 43 1.131 10.825 -6.264 1.00 1.02 N ATOM 685 CA THR A 43 1.795 12.098 -6.047 1.00 1.21 C ATOM 686 C THR A 43 1.953 12.753 -7.422 1.00 1.44 C ATOM 687 O THR A 43 3.042 12.884 -7.974 1.00 2.84 O ATOM 688 CB THR A 43 3.109 11.867 -5.282 1.00 1.16 C ATOM 689 OG1 THR A 43 3.925 13.023 -5.276 1.00 2.08 O ATOM 690 CG2 THR A 43 3.865 10.668 -5.847 1.00 2.19 C ATOM 0 H THR A 43 1.222 10.497 -7.225 1.00 1.02 H new ATOM 0 HA THR A 43 1.224 12.782 -5.419 1.00 1.21 H new ATOM 0 HB THR A 43 2.848 11.649 -4.246 1.00 1.16 H new ATOM 0 HG1 THR A 43 4.842 12.775 -5.035 1.00 2.08 H new ATOM 0 HG21 THR A 43 4.790 10.526 -5.289 1.00 2.19 H new ATOM 0 HG22 THR A 43 3.247 9.774 -5.759 1.00 2.19 H new ATOM 0 HG23 THR A 43 4.098 10.847 -6.897 1.00 2.19 H new ATOM 771 N CYS A 49 -5.067 17.496 1.017 1.00 1.77 N ATOM 772 CA CYS A 49 -6.142 18.052 1.822 1.00 1.73 C ATOM 773 C CYS A 49 -6.712 16.954 2.723 1.00 1.69 C ATOM 774 O CYS A 49 -6.631 17.091 3.942 1.00 1.75 O ATOM 775 CB CYS A 49 -7.214 18.715 0.946 1.00 1.73 C ATOM 776 SG CYS A 49 -8.690 18.998 1.955 1.00 2.60 S ATOM 0 HA CYS A 49 -5.749 18.845 2.458 1.00 1.73 H new ATOM 0 HB2 CYS A 49 -6.844 19.658 0.544 1.00 1.73 H new ATOM 0 HB3 CYS A 49 -7.454 18.078 0.095 1.00 1.73 H new ATOM 0 HG CYS A 49 -9.610 19.562 1.230 1.00 2.60 H new ATOM 782 N PRO A 50 -7.233 15.836 2.182 1.00 1.64 N ATOM 783 CA PRO A 50 -7.573 14.709 3.030 1.00 1.59 C ATOM 784 C PRO A 50 -6.280 14.118 3.613 1.00 1.34 C ATOM 785 O PRO A 50 -5.237 14.168 2.959 1.00 1.29 O ATOM 786 CB PRO A 50 -8.306 13.715 2.127 1.00 1.67 C ATOM 787 CG PRO A 50 -7.703 13.990 0.754 1.00 1.66 C ATOM 788 CD PRO A 50 -7.459 15.501 0.779 1.00 1.66 C ATOM 0 HA PRO A 50 -8.206 14.982 3.874 1.00 1.59 H new ATOM 0 HB2 PRO A 50 -8.139 12.685 2.442 1.00 1.67 H new ATOM 0 HB3 PRO A 50 -9.383 13.881 2.135 1.00 1.67 H new ATOM 0 HG2 PRO A 50 -6.778 13.435 0.601 1.00 1.66 H new ATOM 0 HG3 PRO A 50 -8.382 13.704 -0.049 1.00 1.66 H new ATOM 0 HD2 PRO A 50 -6.598 15.770 0.168 1.00 1.66 H new ATOM 0 HD3 PRO A 50 -8.316 16.044 0.379 1.00 1.66 H new ATOM 796 N PRO A 51 -6.327 13.574 4.838 1.00 1.24 N ATOM 797 CA PRO A 51 -5.164 13.039 5.528 1.00 1.05 C ATOM 798 C PRO A 51 -4.712 11.725 4.886 1.00 1.04 C ATOM 799 O PRO A 51 -5.107 10.652 5.338 1.00 1.27 O ATOM 800 CB PRO A 51 -5.621 12.861 6.980 1.00 1.12 C ATOM 801 CG PRO A 51 -7.125 12.617 6.859 1.00 1.35 C ATOM 802 CD PRO A 51 -7.512 13.500 5.678 1.00 1.40 C ATOM 0 HA PRO A 51 -4.296 13.695 5.470 1.00 1.05 H new ATOM 0 HB2 PRO A 51 -5.116 12.022 7.459 1.00 1.12 H new ATOM 0 HB3 PRO A 51 -5.406 13.746 7.579 1.00 1.12 H new ATOM 0 HG2 PRO A 51 -7.351 11.567 6.672 1.00 1.35 H new ATOM 0 HG3 PRO A 51 -7.656 12.900 7.768 1.00 1.35 H new ATOM 0 HD2 PRO A 51 -8.354 13.076 5.131 1.00 1.40 H new ATOM 0 HD3 PRO A 51 -7.817 14.491 6.013 1.00 1.40 H new ATOM 810 N MET A 52 -3.875 11.810 3.846 1.00 0.95 N ATOM 811 CA MET A 52 -3.326 10.629 3.189 1.00 0.99 C ATOM 812 C MET A 52 -2.256 10.006 4.091 1.00 0.92 C ATOM 813 O MET A 52 -2.564 9.176 4.947 1.00 1.31 O ATOM 814 CB MET A 52 -2.794 10.966 1.784 1.00 1.06 C ATOM 815 CG MET A 52 -3.888 11.476 0.838 1.00 1.64 C ATOM 816 SD MET A 52 -3.262 11.969 -0.789 1.00 1.79 S ATOM 817 CE MET A 52 -4.792 12.461 -1.611 1.00 2.55 C ATOM 0 H MET A 52 -3.564 12.694 3.442 1.00 0.95 H new ATOM 0 HA MET A 52 -4.116 9.893 3.039 1.00 0.99 H new ATOM 0 HB2 MET A 52 -2.013 11.721 1.868 1.00 1.06 H new ATOM 0 HB3 MET A 52 -2.333 10.077 1.353 1.00 1.06 H new ATOM 0 HG2 MET A 52 -4.639 10.696 0.709 1.00 1.64 H new ATOM 0 HG3 MET A 52 -4.389 12.327 1.299 1.00 1.64 H new ATOM 0 HE1 MET A 52 -4.586 12.689 -2.657 1.00 2.55 H new ATOM 0 HE2 MET A 52 -5.515 11.647 -1.552 1.00 2.55 H new ATOM 0 HE3 MET A 52 -5.200 13.345 -1.121 1.00 2.55 H new ATOM 827 N THR A 53 -0.990 10.418 3.961 1.00 0.67 N ATOM 828 CA THR A 53 0.108 9.775 4.661 1.00 0.63 C ATOM 829 C THR A 53 0.279 10.433 6.029 1.00 0.68 C ATOM 830 O THR A 53 1.339 10.940 6.380 1.00 1.37 O ATOM 831 CB THR A 53 1.320 9.763 3.722 1.00 0.71 C ATOM 832 OG1 THR A 53 0.869 9.217 2.500 1.00 1.22 O ATOM 833 CG2 THR A 53 2.466 8.883 4.206 1.00 0.98 C ATOM 0 H THR A 53 -0.708 11.201 3.371 1.00 0.67 H new ATOM 0 HA THR A 53 -0.069 8.727 4.902 1.00 0.63 H new ATOM 0 HB THR A 53 1.701 10.782 3.653 1.00 0.71 H new ATOM 0 HG1 THR A 53 1.636 8.894 1.983 1.00 1.22 H new ATOM 0 HG21 THR A 53 3.286 8.927 3.489 1.00 0.98 H new ATOM 0 HG22 THR A 53 2.813 9.238 5.176 1.00 0.98 H new ATOM 0 HG23 THR A 53 2.120 7.854 4.299 1.00 0.98 H new ATOM 841 N ALA A 54 -0.822 10.409 6.781 1.00 0.77 N ATOM 842 CA ALA A 54 -0.985 10.877 8.149 1.00 0.76 C ATOM 843 C ALA A 54 -1.296 9.675 9.046 1.00 0.76 C ATOM 844 O ALA A 54 -0.744 9.516 10.132 1.00 0.89 O ATOM 845 CB ALA A 54 -2.126 11.893 8.188 1.00 0.81 C ATOM 0 H ALA A 54 -1.694 10.028 6.413 1.00 0.77 H new ATOM 0 HA ALA A 54 -0.074 11.357 8.507 1.00 0.76 H new ATOM 0 HB1 ALA A 54 -2.259 12.252 9.209 1.00 0.81 H new ATOM 0 HB2 ALA A 54 -1.887 12.733 7.536 1.00 0.81 H new ATOM 0 HB3 ALA A 54 -3.047 11.419 7.847 1.00 0.81 H new ATOM 851 N HIS A 55 -2.185 8.791 8.586 1.00 0.75 N ATOM 852 CA HIS A 55 -2.492 7.572 9.311 1.00 0.76 C ATOM 853 C HIS A 55 -1.272 6.656 9.293 1.00 0.69 C ATOM 854 O HIS A 55 -0.799 6.219 10.338 1.00 0.70 O ATOM 855 CB HIS A 55 -3.722 6.914 8.685 1.00 0.82 C ATOM 856 CG HIS A 55 -4.915 7.833 8.672 1.00 0.96 C ATOM 857 ND1 HIS A 55 -5.623 8.218 7.561 1.00 1.08 N ATOM 858 CD2 HIS A 55 -5.490 8.435 9.759 1.00 1.12 C ATOM 859 CE1 HIS A 55 -6.649 8.976 7.971 1.00 1.29 C ATOM 860 NE2 HIS A 55 -6.604 9.150 9.305 1.00 1.31 N ATOM 0 H HIS A 55 -2.701 8.904 7.713 1.00 0.75 H new ATOM 0 HA HIS A 55 -2.726 7.788 10.353 1.00 0.76 H new ATOM 0 HB2 HIS A 55 -3.489 6.609 7.665 1.00 0.82 H new ATOM 0 HB3 HIS A 55 -3.969 6.009 9.239 1.00 0.82 H new ATOM 0 HD2 HIS A 55 -5.146 8.370 10.781 1.00 1.12 H new ATOM 0 HE1 HIS A 55 -7.406 9.390 7.322 1.00 1.29 H new ATOM 0 HE2 HIS A 55 -7.253 9.695 9.872 1.00 1.31 H new ATOM 868 N MET A 56 -0.733 6.396 8.100 1.00 0.66 N ATOM 869 CA MET A 56 0.484 5.617 7.938 1.00 0.65 C ATOM 870 C MET A 56 1.610 6.158 8.831 1.00 0.61 C ATOM 871 O MET A 56 2.320 5.375 9.462 1.00 0.65 O ATOM 872 CB MET A 56 0.882 5.545 6.459 1.00 0.67 C ATOM 873 CG MET A 56 -0.067 4.682 5.610 1.00 0.81 C ATOM 874 SD MET A 56 -1.640 5.417 5.094 1.00 1.60 S ATOM 875 CE MET A 56 -1.124 6.215 3.556 1.00 1.93 C ATOM 0 H MET A 56 -1.133 6.723 7.221 1.00 0.66 H new ATOM 0 HA MET A 56 0.295 4.596 8.268 1.00 0.65 H new ATOM 0 HB2 MET A 56 0.908 6.554 6.048 1.00 0.67 H new ATOM 0 HB3 MET A 56 1.892 5.143 6.382 1.00 0.67 H new ATOM 0 HG2 MET A 56 0.471 4.376 4.712 1.00 0.81 H new ATOM 0 HG3 MET A 56 -0.289 3.775 6.173 1.00 0.81 H new ATOM 0 HE1 MET A 56 -1.878 6.942 3.252 1.00 1.93 H new ATOM 0 HE2 MET A 56 -0.172 6.723 3.711 1.00 1.93 H new ATOM 0 HE3 MET A 56 -1.011 5.462 2.776 1.00 1.93 H new ATOM 885 N THR A 57 1.766 7.481 8.935 1.00 0.58 N ATOM 886 CA THR A 57 2.800 8.060 9.777 1.00 0.59 C ATOM 887 C THR A 57 2.493 7.810 11.244 1.00 0.62 C ATOM 888 O THR A 57 3.367 7.348 11.980 1.00 0.67 O ATOM 889 CB THR A 57 2.998 9.547 9.498 1.00 0.61 C ATOM 890 OG1 THR A 57 1.787 10.244 9.563 1.00 1.74 O ATOM 891 CG2 THR A 57 3.559 9.726 8.099 1.00 1.69 C ATOM 0 H THR A 57 1.188 8.164 8.445 1.00 0.58 H new ATOM 0 HA THR A 57 3.740 7.566 9.533 1.00 0.59 H new ATOM 0 HB THR A 57 3.680 9.938 10.253 1.00 0.61 H new ATOM 0 HG1 THR A 57 1.081 9.644 9.882 1.00 1.74 H new ATOM 0 HG21 THR A 57 3.701 10.788 7.897 1.00 1.69 H new ATOM 0 HG22 THR A 57 4.516 9.210 8.022 1.00 1.69 H new ATOM 0 HG23 THR A 57 2.863 9.309 7.372 1.00 1.69 H new ATOM 899 N ASP A 58 1.256 8.076 11.671 1.00 0.63 N ATOM 900 CA ASP A 58 0.901 7.807 13.053 1.00 0.72 C ATOM 901 C ASP A 58 1.160 6.341 13.406 1.00 0.75 C ATOM 902 O ASP A 58 1.658 6.031 14.492 1.00 0.82 O ATOM 903 CB ASP A 58 -0.521 8.216 13.423 1.00 0.87 C ATOM 904 CG ASP A 58 -0.581 8.260 14.942 1.00 1.87 C ATOM 905 OD1 ASP A 58 0.046 9.182 15.511 1.00 2.47 O ATOM 906 OD2 ASP A 58 -0.961 7.248 15.571 1.00 3.18 O ATOM 0 H ASP A 58 0.509 8.465 11.095 1.00 0.63 H new ATOM 0 HA ASP A 58 1.553 8.441 13.654 1.00 0.72 H new ATOM 0 HB2 ASP A 58 -0.767 9.189 12.998 1.00 0.87 H new ATOM 0 HB3 ASP A 58 -1.244 7.503 13.027 1.00 0.87 H new ATOM 911 N LEU A 59 0.869 5.442 12.467 1.00 0.73 N ATOM 912 CA LEU A 59 1.165 4.031 12.641 1.00 0.77 C ATOM 913 C LEU A 59 2.672 3.764 12.629 1.00 0.78 C ATOM 914 O LEU A 59 3.108 2.900 13.369 1.00 0.86 O ATOM 915 CB LEU A 59 0.394 3.140 11.653 1.00 0.78 C ATOM 916 CG LEU A 59 -0.995 2.735 12.182 1.00 0.79 C ATOM 917 CD1 LEU A 59 -2.026 3.785 11.790 1.00 1.06 C ATOM 918 CD2 LEU A 59 -1.415 1.367 11.635 1.00 0.98 C ATOM 0 H LEU A 59 0.427 5.672 11.577 1.00 0.73 H new ATOM 0 HA LEU A 59 0.806 3.751 13.631 1.00 0.77 H new ATOM 0 HB2 LEU A 59 0.279 3.668 10.707 1.00 0.78 H new ATOM 0 HB3 LEU A 59 0.977 2.242 11.448 1.00 0.78 H new ATOM 0 HG LEU A 59 -0.939 2.668 13.268 1.00 0.79 H new ATOM 0 HD11 LEU A 59 -3.006 3.492 12.167 1.00 1.06 H new ATOM 0 HD12 LEU A 59 -1.746 4.748 12.218 1.00 1.06 H new ATOM 0 HD13 LEU A 59 -2.066 3.868 10.704 1.00 1.06 H new ATOM 0 HD21 LEU A 59 -2.399 1.106 12.024 1.00 0.98 H new ATOM 0 HD22 LEU A 59 -1.454 1.407 10.546 1.00 0.98 H new ATOM 0 HD23 LEU A 59 -0.691 0.613 11.944 1.00 0.98 H new ATOM 930 N GLN A 60 3.487 4.490 11.859 1.00 0.72 N ATOM 931 CA GLN A 60 4.949 4.341 11.792 1.00 0.69 C ATOM 932 C GLN A 60 5.609 4.458 13.177 1.00 0.76 C ATOM 933 O GLN A 60 6.650 3.849 13.438 1.00 0.89 O ATOM 934 CB GLN A 60 5.499 5.408 10.832 1.00 0.64 C ATOM 935 CG GLN A 60 6.581 4.930 9.864 1.00 0.94 C ATOM 936 CD GLN A 60 7.878 4.510 10.529 1.00 1.11 C ATOM 937 OE1 GLN A 60 8.323 5.144 11.481 1.00 2.38 O ATOM 938 NE2 GLN A 60 8.507 3.453 10.029 1.00 1.40 N ATOM 0 H GLN A 60 3.138 5.224 11.243 1.00 0.72 H new ATOM 0 HA GLN A 60 5.186 3.343 11.424 1.00 0.69 H new ATOM 0 HB2 GLN A 60 4.669 5.811 10.251 1.00 0.64 H new ATOM 0 HB3 GLN A 60 5.903 6.230 11.423 1.00 0.64 H new ATOM 0 HG2 GLN A 60 6.192 4.088 9.291 1.00 0.94 H new ATOM 0 HG3 GLN A 60 6.794 5.729 9.153 1.00 0.94 H new ATOM 0 HE21 GLN A 60 8.108 2.950 9.237 1.00 1.40 H new ATOM 0 HE22 GLN A 60 9.389 3.144 10.437 1.00 1.40 H new ATOM 947 N LYS A 61 4.999 5.252 14.062 1.00 0.79 N ATOM 948 CA LYS A 61 5.377 5.384 15.461 1.00 0.85 C ATOM 949 C LYS A 61 5.129 4.047 16.157 1.00 0.87 C ATOM 950 O LYS A 61 6.068 3.334 16.497 1.00 0.94 O ATOM 951 CB LYS A 61 4.583 6.547 16.080 1.00 0.90 C ATOM 952 CG LYS A 61 4.470 6.551 17.612 1.00 0.87 C ATOM 953 CD LYS A 61 3.512 7.656 18.098 1.00 1.05 C ATOM 954 CE LYS A 61 2.015 7.264 18.105 1.00 2.66 C ATOM 955 NZ LYS A 61 1.341 7.366 16.790 1.00 3.58 N ATOM 0 H LYS A 61 4.203 5.837 13.810 1.00 0.79 H new ATOM 0 HA LYS A 61 6.435 5.621 15.578 1.00 0.85 H new ATOM 0 HB2 LYS A 61 5.047 7.483 15.768 1.00 0.90 H new ATOM 0 HB3 LYS A 61 3.576 6.535 15.662 1.00 0.90 H new ATOM 0 HG2 LYS A 61 4.113 5.580 17.955 1.00 0.87 H new ATOM 0 HG3 LYS A 61 5.456 6.702 18.051 1.00 0.87 H new ATOM 0 HD2 LYS A 61 3.801 7.949 19.108 1.00 1.05 H new ATOM 0 HD3 LYS A 61 3.640 8.533 17.463 1.00 1.05 H new ATOM 0 HE2 LYS A 61 1.924 6.240 18.466 1.00 2.66 H new ATOM 0 HE3 LYS A 61 1.490 7.901 18.817 1.00 2.66 H new ATOM 0 HZ1 LYS A 61 0.340 7.102 16.891 1.00 3.58 H new ATOM 0 HZ2 LYS A 61 1.407 8.343 16.441 1.00 3.58 H new ATOM 0 HZ3 LYS A 61 1.802 6.725 16.113 1.00 3.58 H new ATOM 969 N LYS A 62 3.854 3.714 16.365 1.00 0.94 N ATOM 970 CA LYS A 62 3.360 2.478 16.935 1.00 0.90 C ATOM 971 C LYS A 62 4.107 1.263 16.379 1.00 0.81 C ATOM 972 O LYS A 62 4.470 0.374 17.142 1.00 0.84 O ATOM 973 CB LYS A 62 1.850 2.521 16.632 1.00 0.97 C ATOM 974 CG LYS A 62 1.073 1.240 16.875 1.00 1.38 C ATOM 975 CD LYS A 62 1.128 0.817 18.348 1.00 2.67 C ATOM 976 CE LYS A 62 1.394 -0.683 18.277 1.00 3.80 C ATOM 977 NZ LYS A 62 1.516 -1.420 19.542 1.00 5.23 N ATOM 0 H LYS A 62 3.095 4.350 16.120 1.00 0.94 H new ATOM 0 HA LYS A 62 3.530 2.379 18.007 1.00 0.90 H new ATOM 0 HB2 LYS A 62 1.403 3.311 17.236 1.00 0.97 H new ATOM 0 HB3 LYS A 62 1.720 2.806 15.588 1.00 0.97 H new ATOM 0 HG2 LYS A 62 0.035 1.381 16.575 1.00 1.38 H new ATOM 0 HG3 LYS A 62 1.479 0.443 16.252 1.00 1.38 H new ATOM 0 HD2 LYS A 62 1.918 1.340 18.887 1.00 2.67 H new ATOM 0 HD3 LYS A 62 0.193 1.035 18.864 1.00 2.67 H new ATOM 0 HE2 LYS A 62 0.589 -1.139 17.701 1.00 3.80 H new ATOM 0 HE3 LYS A 62 2.314 -0.833 17.712 1.00 3.80 H new ATOM 0 HZ1 LYS A 62 1.729 -2.418 19.343 1.00 5.23 H new ATOM 0 HZ2 LYS A 62 2.284 -1.009 20.111 1.00 5.23 H new ATOM 0 HZ3 LYS A 62 0.622 -1.355 20.069 1.00 5.23 H new ATOM 991 N LEU A 63 4.406 1.266 15.082 1.00 0.78 N ATOM 992 CA LEU A 63 5.134 0.225 14.385 1.00 0.74 C ATOM 993 C LEU A 63 6.431 -0.146 15.088 1.00 0.75 C ATOM 994 O LEU A 63 6.806 -1.311 15.034 1.00 0.70 O ATOM 995 CB LEU A 63 5.418 0.629 12.931 1.00 0.75 C ATOM 996 CG LEU A 63 4.750 -0.235 11.847 1.00 0.90 C ATOM 997 CD1 LEU A 63 4.435 -1.691 12.221 1.00 1.81 C ATOM 998 CD2 LEU A 63 3.490 0.430 11.292 1.00 1.24 C ATOM 0 H LEU A 63 4.132 2.032 14.466 1.00 0.78 H new ATOM 0 HA LEU A 63 4.494 -0.657 14.389 1.00 0.74 H new ATOM 0 HB2 LEU A 63 5.098 1.662 12.793 1.00 0.75 H new ATOM 0 HB3 LEU A 63 6.496 0.606 12.773 1.00 0.75 H new ATOM 0 HG LEU A 63 5.526 -0.298 11.084 1.00 0.90 H new ATOM 0 HD11 LEU A 63 3.967 -2.191 11.373 1.00 1.81 H new ATOM 0 HD12 LEU A 63 5.359 -2.207 12.483 1.00 1.81 H new ATOM 0 HD13 LEU A 63 3.755 -1.709 13.073 1.00 1.81 H new ATOM 0 HD21 LEU A 63 3.047 -0.210 10.529 1.00 1.24 H new ATOM 0 HD22 LEU A 63 2.773 0.582 12.099 1.00 1.24 H new ATOM 0 HD23 LEU A 63 3.750 1.392 10.851 1.00 1.24 H new ATOM 1010 N LYS A 64 7.111 0.794 15.763 1.00 0.89 N ATOM 1011 CA LYS A 64 8.292 0.453 16.567 1.00 1.00 C ATOM 1012 C LYS A 64 8.021 -0.802 17.409 1.00 0.99 C ATOM 1013 O LYS A 64 8.895 -1.644 17.581 1.00 1.08 O ATOM 1014 CB LYS A 64 8.679 1.598 17.524 1.00 1.30 C ATOM 1015 CG LYS A 64 9.805 2.527 17.049 1.00 1.45 C ATOM 1016 CD LYS A 64 9.447 3.436 15.870 1.00 1.48 C ATOM 1017 CE LYS A 64 9.597 2.718 14.525 1.00 1.84 C ATOM 1018 NZ LYS A 64 9.375 3.637 13.407 1.00 2.94 N ATOM 0 H LYS A 64 6.866 1.784 15.768 1.00 0.89 H new ATOM 0 HA LYS A 64 9.111 0.276 15.869 1.00 1.00 H new ATOM 0 HB2 LYS A 64 7.792 2.203 17.711 1.00 1.30 H new ATOM 0 HB3 LYS A 64 8.974 1.162 18.478 1.00 1.30 H new ATOM 0 HG2 LYS A 64 10.117 3.151 17.886 1.00 1.45 H new ATOM 0 HG3 LYS A 64 10.664 1.917 16.769 1.00 1.45 H new ATOM 0 HD2 LYS A 64 8.421 3.787 15.981 1.00 1.48 H new ATOM 0 HD3 LYS A 64 10.088 4.317 15.884 1.00 1.48 H new ATOM 0 HE2 LYS A 64 10.594 2.284 14.450 1.00 1.84 H new ATOM 0 HE3 LYS A 64 8.886 1.894 14.468 1.00 1.84 H new ATOM 0 HZ1 LYS A 64 9.483 3.124 12.509 1.00 2.94 H new ATOM 0 HZ2 LYS A 64 8.415 4.031 13.467 1.00 2.94 H new ATOM 0 HZ3 LYS A 64 10.070 4.410 13.450 1.00 2.94 H new ATOM 1032 N ALA A 65 6.806 -0.901 17.945 1.00 0.96 N ATOM 1033 CA ALA A 65 6.369 -1.982 18.810 1.00 1.00 C ATOM 1034 C ALA A 65 6.137 -3.309 18.091 1.00 0.97 C ATOM 1035 O ALA A 65 6.316 -4.361 18.699 1.00 1.07 O ATOM 1036 CB ALA A 65 5.086 -1.524 19.509 1.00 1.00 C ATOM 0 H ALA A 65 6.079 -0.205 17.780 1.00 0.96 H new ATOM 0 HA ALA A 65 7.171 -2.185 19.520 1.00 1.00 H new ATOM 0 HB1 ALA A 65 4.729 -2.315 20.169 1.00 1.00 H new ATOM 0 HB2 ALA A 65 5.291 -0.628 20.094 1.00 1.00 H new ATOM 0 HB3 ALA A 65 4.324 -1.303 18.762 1.00 1.00 H new ATOM 1042 N GLU A 66 5.724 -3.267 16.822 1.00 0.90 N ATOM 1043 CA GLU A 66 5.509 -4.457 16.020 1.00 0.97 C ATOM 1044 C GLU A 66 6.731 -4.714 15.141 1.00 0.77 C ATOM 1045 O GLU A 66 6.748 -5.718 14.438 1.00 0.73 O ATOM 1046 CB GLU A 66 4.250 -4.331 15.152 1.00 1.09 C ATOM 1047 CG GLU A 66 2.945 -4.453 15.946 1.00 2.03 C ATOM 1048 CD GLU A 66 2.593 -3.192 16.702 1.00 0.97 C ATOM 1049 OE1 GLU A 66 2.451 -2.161 16.011 1.00 2.24 O ATOM 1050 OE2 GLU A 66 2.425 -3.265 17.945 1.00 1.75 O ATOM 0 H GLU A 66 5.530 -2.397 16.326 1.00 0.90 H new ATOM 0 HA GLU A 66 5.362 -5.300 16.696 1.00 0.97 H new ATOM 0 HB2 GLU A 66 4.266 -3.369 14.640 1.00 1.09 H new ATOM 0 HB3 GLU A 66 4.271 -5.102 14.382 1.00 1.09 H new ATOM 0 HG2 GLU A 66 2.132 -4.699 15.263 1.00 2.03 H new ATOM 0 HG3 GLU A 66 3.031 -5.280 16.650 1.00 2.03 H new ATOM 1057 N ASN A 67 7.716 -3.805 15.160 1.00 0.72 N ATOM 1058 CA ASN A 67 8.813 -3.686 14.216 1.00 0.61 C ATOM 1059 C ASN A 67 9.324 -5.028 13.740 1.00 0.85 C ATOM 1060 O ASN A 67 9.470 -5.191 12.540 1.00 1.59 O ATOM 1061 CB ASN A 67 9.958 -2.837 14.787 1.00 0.93 C ATOM 1062 CG ASN A 67 10.721 -3.485 15.948 1.00 2.58 C ATOM 1063 OD1 ASN A 67 10.167 -4.245 16.736 1.00 4.15 O ATOM 1064 ND2 ASN A 67 12.018 -3.209 16.052 1.00 3.41 N ATOM 0 H ASN A 67 7.762 -3.091 15.887 1.00 0.72 H new ATOM 0 HA ASN A 67 8.408 -3.173 13.344 1.00 0.61 H new ATOM 0 HB2 ASN A 67 10.663 -2.617 13.985 1.00 0.93 H new ATOM 0 HB3 ASN A 67 9.551 -1.884 15.125 1.00 0.93 H new ATOM 0 HD21 ASN A 67 12.571 -3.632 16.797 1.00 3.41 H new ATOM 0 HD22 ASN A 67 12.459 -2.574 15.386 1.00 3.41 H new ATOM 1071 N ILE A 68 9.584 -5.929 14.693 1.00 0.88 N ATOM 1072 CA ILE A 68 10.282 -7.216 14.522 1.00 1.03 C ATOM 1073 C ILE A 68 10.977 -7.306 13.140 1.00 1.01 C ATOM 1074 O ILE A 68 12.091 -6.797 13.021 1.00 1.12 O ATOM 1075 CB ILE A 68 9.387 -8.414 14.914 1.00 1.14 C ATOM 1076 CG1 ILE A 68 9.005 -8.416 16.413 1.00 1.21 C ATOM 1077 CG2 ILE A 68 10.120 -9.747 14.671 1.00 1.26 C ATOM 1078 CD1 ILE A 68 7.862 -7.480 16.819 1.00 1.21 C ATOM 0 H ILE A 68 9.299 -5.775 15.660 1.00 0.88 H new ATOM 0 HA ILE A 68 11.105 -7.271 15.234 1.00 1.03 H new ATOM 0 HB ILE A 68 8.494 -8.313 14.297 1.00 1.14 H new ATOM 0 HG12 ILE A 68 8.733 -9.433 16.696 1.00 1.21 H new ATOM 0 HG13 ILE A 68 9.889 -8.150 16.993 1.00 1.21 H new ATOM 0 HG21 ILE A 68 9.471 -10.576 14.954 1.00 1.26 H new ATOM 0 HG22 ILE A 68 10.379 -9.833 13.616 1.00 1.26 H new ATOM 0 HG23 ILE A 68 11.029 -9.777 15.271 1.00 1.26 H new ATOM 0 HD11 ILE A 68 7.684 -7.567 17.891 1.00 1.21 H new ATOM 0 HD12 ILE A 68 8.131 -6.452 16.578 1.00 1.21 H new ATOM 0 HD13 ILE A 68 6.957 -7.755 16.277 1.00 1.21 H new ATOM 1090 N ASP A 69 10.322 -7.835 12.093 1.00 0.97 N ATOM 1091 CA ASP A 69 10.492 -7.340 10.723 1.00 0.92 C ATOM 1092 C ASP A 69 9.142 -7.308 9.999 1.00 0.78 C ATOM 1093 O ASP A 69 9.003 -7.720 8.845 1.00 1.06 O ATOM 1094 CB ASP A 69 11.568 -8.090 9.949 1.00 1.20 C ATOM 1095 CG ASP A 69 11.888 -7.439 8.599 1.00 1.31 C ATOM 1096 OD1 ASP A 69 11.698 -6.215 8.424 1.00 2.05 O ATOM 1097 OD2 ASP A 69 12.334 -8.162 7.683 1.00 2.03 O ATOM 0 H ASP A 69 9.666 -8.611 12.174 1.00 0.97 H new ATOM 0 HA ASP A 69 10.860 -6.316 10.782 1.00 0.92 H new ATOM 0 HB2 ASP A 69 12.476 -8.136 10.550 1.00 1.20 H new ATOM 0 HB3 ASP A 69 11.242 -9.117 9.784 1.00 1.20 H new ATOM 1102 N VAL A 70 8.147 -6.732 10.671 1.00 0.54 N ATOM 1103 CA VAL A 70 6.995 -6.177 9.984 1.00 0.42 C ATOM 1104 C VAL A 70 7.500 -4.848 9.434 1.00 0.39 C ATOM 1105 O VAL A 70 8.259 -4.148 10.101 1.00 0.48 O ATOM 1106 CB VAL A 70 5.778 -5.982 10.912 1.00 0.45 C ATOM 1107 CG1 VAL A 70 5.529 -7.171 11.848 1.00 0.58 C ATOM 1108 CG2 VAL A 70 5.857 -4.682 11.715 1.00 0.56 C ATOM 0 H VAL A 70 8.120 -6.640 11.687 1.00 0.54 H new ATOM 0 HA VAL A 70 6.629 -6.848 9.207 1.00 0.42 H new ATOM 0 HB VAL A 70 4.923 -5.916 10.239 1.00 0.45 H new ATOM 0 HG11 VAL A 70 4.659 -6.967 12.472 1.00 0.58 H new ATOM 0 HG12 VAL A 70 5.348 -8.068 11.256 1.00 0.58 H new ATOM 0 HG13 VAL A 70 6.402 -7.324 12.482 1.00 0.58 H new ATOM 0 HG21 VAL A 70 4.977 -4.594 12.352 1.00 0.56 H new ATOM 0 HG22 VAL A 70 6.754 -4.691 12.335 1.00 0.56 H new ATOM 0 HG23 VAL A 70 5.897 -3.834 11.031 1.00 0.56 H new ATOM 1118 N ARG A 71 7.118 -4.489 8.218 1.00 0.39 N ATOM 1119 CA ARG A 71 7.740 -3.381 7.524 1.00 0.44 C ATOM 1120 C ARG A 71 6.659 -2.827 6.619 1.00 0.65 C ATOM 1121 O ARG A 71 6.056 -3.590 5.868 1.00 1.08 O ATOM 1122 CB ARG A 71 8.982 -3.943 6.835 1.00 0.85 C ATOM 1123 CG ARG A 71 9.812 -2.915 6.067 1.00 1.22 C ATOM 1124 CD ARG A 71 11.309 -3.262 6.136 1.00 0.67 C ATOM 1125 NE ARG A 71 11.577 -4.713 6.194 1.00 0.74 N ATOM 1126 CZ ARG A 71 11.471 -5.588 5.186 1.00 0.65 C ATOM 1127 NH1 ARG A 71 11.197 -5.158 3.946 1.00 0.68 N ATOM 1128 NH2 ARG A 71 11.634 -6.893 5.441 1.00 0.80 N ATOM 0 H ARG A 71 6.377 -4.953 7.693 1.00 0.39 H new ATOM 0 HA ARG A 71 8.096 -2.553 8.138 1.00 0.44 H new ATOM 0 HB2 ARG A 71 9.616 -4.412 7.587 1.00 0.85 H new ATOM 0 HB3 ARG A 71 8.673 -4.728 6.145 1.00 0.85 H new ATOM 0 HG2 ARG A 71 9.489 -2.884 5.027 1.00 1.22 H new ATOM 0 HG3 ARG A 71 9.645 -1.921 6.483 1.00 1.22 H new ATOM 0 HD2 ARG A 71 11.811 -2.843 5.264 1.00 0.67 H new ATOM 0 HD3 ARG A 71 11.744 -2.785 7.014 1.00 0.67 H new ATOM 0 HE ARG A 71 11.874 -5.087 7.095 1.00 0.74 H new ATOM 0 HH11 ARG A 71 11.069 -4.162 3.768 1.00 0.68 H new ATOM 0 HH12 ARG A 71 11.117 -5.827 3.180 1.00 0.68 H new ATOM 0 HH21 ARG A 71 11.835 -7.206 6.391 1.00 0.80 H new ATOM 0 HH22 ARG A 71 11.557 -7.574 4.685 1.00 0.80 H new ATOM 1142 N ILE A 72 6.317 -1.544 6.776 1.00 0.43 N ATOM 1143 CA ILE A 72 5.123 -1.019 6.144 1.00 0.38 C ATOM 1144 C ILE A 72 5.463 -0.803 4.668 1.00 0.34 C ATOM 1145 O ILE A 72 6.217 0.110 4.322 1.00 0.38 O ATOM 1146 CB ILE A 72 4.585 0.224 6.891 1.00 0.39 C ATOM 1147 CG1 ILE A 72 3.441 0.885 6.102 1.00 0.47 C ATOM 1148 CG2 ILE A 72 5.646 1.251 7.310 1.00 0.42 C ATOM 1149 CD1 ILE A 72 2.833 2.033 6.897 1.00 1.29 C ATOM 0 H ILE A 72 6.846 -0.868 7.327 1.00 0.43 H new ATOM 0 HA ILE A 72 4.287 -1.716 6.199 1.00 0.38 H new ATOM 0 HB ILE A 72 4.199 -0.161 7.835 1.00 0.39 H new ATOM 0 HG12 ILE A 72 3.817 1.255 5.148 1.00 0.47 H new ATOM 0 HG13 ILE A 72 2.673 0.145 5.876 1.00 0.47 H new ATOM 0 HG21 ILE A 72 5.164 2.082 7.825 1.00 0.42 H new ATOM 0 HG22 ILE A 72 6.366 0.778 7.978 1.00 0.42 H new ATOM 0 HG23 ILE A 72 6.162 1.623 6.425 1.00 0.42 H new ATOM 0 HD11 ILE A 72 2.026 2.487 6.322 1.00 1.29 H new ATOM 0 HD12 ILE A 72 2.438 1.654 7.839 1.00 1.29 H new ATOM 0 HD13 ILE A 72 3.599 2.781 7.100 1.00 1.29 H new ATOM 1161 N ILE A 73 4.979 -1.689 3.795 1.00 0.35 N ATOM 1162 CA ILE A 73 5.192 -1.531 2.368 1.00 0.36 C ATOM 1163 C ILE A 73 4.155 -0.543 1.861 1.00 0.38 C ATOM 1164 O ILE A 73 3.061 -0.442 2.406 1.00 0.50 O ATOM 1165 CB ILE A 73 5.150 -2.901 1.666 1.00 0.38 C ATOM 1166 CG1 ILE A 73 6.557 -3.496 1.522 1.00 0.43 C ATOM 1167 CG2 ILE A 73 4.484 -2.874 0.281 1.00 0.47 C ATOM 1168 CD1 ILE A 73 7.226 -3.767 2.872 1.00 0.51 C ATOM 0 H ILE A 73 4.441 -2.516 4.056 1.00 0.35 H new ATOM 0 HA ILE A 73 6.180 -1.129 2.145 1.00 0.36 H new ATOM 0 HB ILE A 73 4.536 -3.526 2.314 1.00 0.38 H new ATOM 0 HG12 ILE A 73 6.497 -4.427 0.958 1.00 0.43 H new ATOM 0 HG13 ILE A 73 7.179 -2.812 0.944 1.00 0.43 H new ATOM 0 HG21 ILE A 73 4.494 -3.876 -0.147 1.00 0.47 H new ATOM 0 HG22 ILE A 73 3.454 -2.532 0.379 1.00 0.47 H new ATOM 0 HG23 ILE A 73 5.031 -2.195 -0.373 1.00 0.47 H new ATOM 0 HD11 ILE A 73 8.218 -4.187 2.708 1.00 0.51 H new ATOM 0 HD12 ILE A 73 7.314 -2.834 3.428 1.00 0.51 H new ATOM 0 HD13 ILE A 73 6.622 -4.473 3.442 1.00 0.51 H new ATOM 1180 N SER A 74 4.496 0.210 0.822 1.00 0.44 N ATOM 1181 CA SER A 74 3.610 1.241 0.320 1.00 0.45 C ATOM 1182 C SER A 74 3.822 1.327 -1.181 1.00 0.54 C ATOM 1183 O SER A 74 4.848 1.841 -1.619 1.00 0.55 O ATOM 1184 CB SER A 74 3.969 2.521 1.064 1.00 0.52 C ATOM 1185 OG SER A 74 3.324 3.672 0.561 1.00 1.37 O ATOM 0 H SER A 74 5.377 0.123 0.316 1.00 0.44 H new ATOM 0 HA SER A 74 2.551 1.042 0.485 1.00 0.45 H new ATOM 0 HB2 SER A 74 3.712 2.403 2.117 1.00 0.52 H new ATOM 0 HB3 SER A 74 5.048 2.669 1.014 1.00 0.52 H new ATOM 0 HG SER A 74 2.407 3.710 0.905 1.00 1.37 H new ATOM 1191 N PHE A 75 2.937 0.743 -1.990 1.00 0.76 N ATOM 1192 CA PHE A 75 3.227 0.687 -3.417 1.00 0.87 C ATOM 1193 C PHE A 75 2.836 1.984 -4.122 1.00 0.73 C ATOM 1194 O PHE A 75 1.850 2.641 -3.785 1.00 0.71 O ATOM 1195 CB PHE A 75 2.701 -0.583 -4.091 1.00 1.13 C ATOM 1196 CG PHE A 75 1.213 -0.830 -4.018 1.00 1.08 C ATOM 1197 CD1 PHE A 75 0.379 -0.372 -5.055 1.00 1.96 C ATOM 1198 CD2 PHE A 75 0.708 -1.714 -3.049 1.00 2.04 C ATOM 1199 CE1 PHE A 75 -0.925 -0.880 -5.180 1.00 2.06 C ATOM 1200 CE2 PHE A 75 -0.597 -2.216 -3.173 1.00 2.22 C ATOM 1201 CZ PHE A 75 -1.397 -1.830 -4.260 1.00 1.53 C ATOM 0 H PHE A 75 2.055 0.322 -1.698 1.00 0.76 H new ATOM 0 HA PHE A 75 4.309 0.608 -3.522 1.00 0.87 H new ATOM 0 HB2 PHE A 75 2.989 -0.553 -5.142 1.00 1.13 H new ATOM 0 HB3 PHE A 75 3.209 -1.438 -3.646 1.00 1.13 H new ATOM 0 HD1 PHE A 75 0.741 0.368 -5.753 1.00 1.96 H new ATOM 0 HD2 PHE A 75 1.323 -2.006 -2.211 1.00 2.04 H new ATOM 0 HE1 PHE A 75 -1.563 -0.540 -5.982 1.00 2.06 H new ATOM 0 HE2 PHE A 75 -0.986 -2.899 -2.432 1.00 2.22 H new ATOM 0 HZ PHE A 75 -2.377 -2.264 -4.389 1.00 1.53 H new ATOM 1211 N SER A 76 3.637 2.342 -5.121 1.00 0.67 N ATOM 1212 CA SER A 76 3.447 3.539 -5.906 1.00 0.54 C ATOM 1213 C SER A 76 2.291 3.281 -6.859 1.00 0.53 C ATOM 1214 O SER A 76 2.256 2.268 -7.558 1.00 0.58 O ATOM 1215 CB SER A 76 4.739 3.835 -6.670 1.00 0.59 C ATOM 1216 OG SER A 76 4.621 5.041 -7.393 1.00 1.37 O ATOM 0 H SER A 76 4.448 1.793 -5.406 1.00 0.67 H new ATOM 0 HA SER A 76 3.216 4.402 -5.282 1.00 0.54 H new ATOM 0 HB2 SER A 76 5.574 3.903 -5.972 1.00 0.59 H new ATOM 0 HB3 SER A 76 4.960 3.015 -7.353 1.00 0.59 H new ATOM 0 HG SER A 76 5.456 5.217 -7.875 1.00 1.37 H new ATOM 1222 N VAL A 77 1.322 4.187 -6.843 1.00 0.68 N ATOM 1223 CA VAL A 77 0.204 4.190 -7.747 1.00 0.69 C ATOM 1224 C VAL A 77 0.649 5.032 -8.939 1.00 0.66 C ATOM 1225 O VAL A 77 0.775 6.249 -8.833 1.00 0.78 O ATOM 1226 CB VAL A 77 -1.004 4.772 -7.012 1.00 0.74 C ATOM 1227 CG1 VAL A 77 -2.220 4.947 -7.927 1.00 0.89 C ATOM 1228 CG2 VAL A 77 -1.391 3.857 -5.842 1.00 0.83 C ATOM 0 H VAL A 77 1.302 4.959 -6.176 1.00 0.68 H new ATOM 0 HA VAL A 77 -0.093 3.201 -8.096 1.00 0.69 H new ATOM 0 HB VAL A 77 -0.711 5.758 -6.651 1.00 0.74 H new ATOM 0 HG11 VAL A 77 -3.049 5.363 -7.355 1.00 0.89 H new ATOM 0 HG12 VAL A 77 -1.967 5.623 -8.743 1.00 0.89 H new ATOM 0 HG13 VAL A 77 -2.511 3.979 -8.335 1.00 0.89 H new ATOM 0 HG21 VAL A 77 -2.252 4.276 -5.322 1.00 0.83 H new ATOM 0 HG22 VAL A 77 -1.643 2.867 -6.222 1.00 0.83 H new ATOM 0 HG23 VAL A 77 -0.553 3.777 -5.150 1.00 0.83 H new ATOM 1238 N ASP A 78 0.911 4.345 -10.048 1.00 0.78 N ATOM 1239 CA ASP A 78 1.371 4.896 -11.314 1.00 0.83 C ATOM 1240 C ASP A 78 2.804 5.432 -11.224 1.00 0.70 C ATOM 1241 O ASP A 78 3.060 6.609 -11.469 1.00 0.76 O ATOM 1242 CB ASP A 78 0.372 5.918 -11.868 1.00 1.01 C ATOM 1243 CG ASP A 78 0.488 5.986 -13.384 1.00 1.19 C ATOM 1244 OD1 ASP A 78 1.631 6.135 -13.878 1.00 1.82 O ATOM 1245 OD2 ASP A 78 -0.579 5.828 -14.021 1.00 2.43 O ATOM 0 H ASP A 78 0.801 3.332 -10.086 1.00 0.78 H new ATOM 0 HA ASP A 78 1.413 4.082 -12.038 1.00 0.83 H new ATOM 0 HB2 ASP A 78 -0.643 5.638 -11.584 1.00 1.01 H new ATOM 0 HB3 ASP A 78 0.565 6.900 -11.435 1.00 1.01 H new ATOM 1250 N PRO A 79 3.785 4.567 -10.915 1.00 0.69 N ATOM 1251 CA PRO A 79 5.187 4.943 -10.909 1.00 0.69 C ATOM 1252 C PRO A 79 5.656 5.416 -12.286 1.00 0.69 C ATOM 1253 O PRO A 79 6.663 6.109 -12.357 1.00 0.84 O ATOM 1254 CB PRO A 79 5.953 3.684 -10.486 1.00 0.83 C ATOM 1255 CG PRO A 79 5.026 2.564 -10.953 1.00 0.91 C ATOM 1256 CD PRO A 79 3.655 3.151 -10.624 1.00 0.84 C ATOM 0 HA PRO A 79 5.360 5.777 -10.229 1.00 0.69 H new ATOM 0 HB2 PRO A 79 6.932 3.625 -10.961 1.00 0.83 H new ATOM 0 HB3 PRO A 79 6.119 3.652 -9.409 1.00 0.83 H new ATOM 0 HG2 PRO A 79 5.139 2.354 -12.017 1.00 0.91 H new ATOM 0 HG3 PRO A 79 5.211 1.630 -10.423 1.00 0.91 H new ATOM 0 HD2 PRO A 79 2.872 2.692 -11.228 1.00 0.84 H new ATOM 0 HD3 PRO A 79 3.392 2.983 -9.580 1.00 0.84 H new ATOM 1264 N GLU A 80 4.975 5.043 -13.375 1.00 0.64 N ATOM 1265 CA GLU A 80 5.288 5.504 -14.707 1.00 0.73 C ATOM 1266 C GLU A 80 5.131 7.026 -14.761 1.00 0.85 C ATOM 1267 O GLU A 80 6.078 7.743 -15.113 1.00 1.05 O ATOM 1268 CB GLU A 80 4.365 4.755 -15.675 1.00 0.87 C ATOM 1269 CG GLU A 80 4.699 5.019 -17.140 1.00 1.48 C ATOM 1270 CD GLU A 80 3.789 4.216 -18.058 1.00 1.68 C ATOM 1271 OE1 GLU A 80 2.555 4.286 -17.879 1.00 2.59 O ATOM 1272 OE2 GLU A 80 4.285 3.444 -18.910 1.00 2.10 O ATOM 0 H GLU A 80 4.182 4.403 -13.342 1.00 0.64 H new ATOM 0 HA GLU A 80 6.319 5.296 -14.993 1.00 0.73 H new ATOM 0 HB2 GLU A 80 4.434 3.685 -15.479 1.00 0.87 H new ATOM 0 HB3 GLU A 80 3.333 5.048 -15.485 1.00 0.87 H new ATOM 0 HG2 GLU A 80 4.593 6.082 -17.355 1.00 1.48 H new ATOM 0 HG3 GLU A 80 5.739 4.757 -17.333 1.00 1.48 H new ATOM 1279 N ASN A 81 3.958 7.547 -14.386 1.00 0.93 N ATOM 1280 CA ASN A 81 3.724 8.963 -14.362 1.00 1.21 C ATOM 1281 C ASN A 81 4.495 9.578 -13.193 1.00 1.10 C ATOM 1282 O ASN A 81 5.295 10.491 -13.401 1.00 1.48 O ATOM 1283 CB ASN A 81 2.213 9.184 -14.286 1.00 1.64 C ATOM 1284 CG ASN A 81 1.948 10.623 -13.938 1.00 2.49 C ATOM 1285 OD1 ASN A 81 1.857 11.490 -14.802 1.00 3.05 O ATOM 1286 ND2 ASN A 81 1.915 10.890 -12.648 1.00 4.16 N ATOM 0 H ASN A 81 3.157 6.986 -14.095 1.00 0.93 H new ATOM 0 HA ASN A 81 4.087 9.460 -15.262 1.00 1.21 H new ATOM 0 HB2 ASN A 81 1.747 8.935 -15.239 1.00 1.64 H new ATOM 0 HB3 ASN A 81 1.773 8.527 -13.535 1.00 1.64 H new ATOM 0 HD21 ASN A 81 1.810 11.853 -12.329 1.00 4.16 H new ATOM 0 HD22 ASN A 81 1.995 10.134 -11.968 1.00 4.16 H new ATOM 1293 N ASP A 82 4.293 9.064 -11.981 1.00 1.07 N ATOM 1294 CA ASP A 82 4.771 9.666 -10.746 1.00 1.08 C ATOM 1295 C ASP A 82 6.298 9.630 -10.681 1.00 1.31 C ATOM 1296 O ASP A 82 6.963 10.657 -10.794 1.00 2.75 O ATOM 1297 CB ASP A 82 4.128 8.922 -9.562 1.00 0.98 C ATOM 1298 CG ASP A 82 2.642 9.244 -9.419 1.00 1.92 C ATOM 1299 OD1 ASP A 82 1.955 9.342 -10.461 1.00 3.18 O ATOM 1300 OD2 ASP A 82 2.207 9.440 -8.267 1.00 2.53 O ATOM 0 H ASP A 82 3.779 8.196 -11.831 1.00 1.07 H new ATOM 0 HA ASP A 82 4.483 10.716 -10.704 1.00 1.08 H new ATOM 0 HB2 ASP A 82 4.254 7.848 -9.698 1.00 0.98 H new ATOM 0 HB3 ASP A 82 4.647 9.190 -8.641 1.00 0.98 H new ATOM 1305 N LYS A 83 6.833 8.421 -10.516 1.00 0.84 N ATOM 1306 CA LYS A 83 8.245 8.070 -10.344 1.00 0.78 C ATOM 1307 C LYS A 83 8.706 8.335 -8.902 1.00 0.70 C ATOM 1308 O LYS A 83 8.222 9.266 -8.260 1.00 0.76 O ATOM 1309 CB LYS A 83 9.144 8.679 -11.431 1.00 0.97 C ATOM 1310 CG LYS A 83 8.750 8.126 -12.809 1.00 1.55 C ATOM 1311 CD LYS A 83 9.486 8.778 -13.985 1.00 1.68 C ATOM 1312 CE LYS A 83 8.881 10.120 -14.421 1.00 2.22 C ATOM 1313 NZ LYS A 83 7.452 10.010 -14.785 1.00 3.28 N ATOM 0 H LYS A 83 6.241 7.591 -10.497 1.00 0.84 H new ATOM 0 HA LYS A 83 8.350 6.996 -10.495 1.00 0.78 H new ATOM 0 HB2 LYS A 83 9.051 9.765 -11.426 1.00 0.97 H new ATOM 0 HB3 LYS A 83 10.189 8.448 -11.222 1.00 0.97 H new ATOM 0 HG2 LYS A 83 8.942 7.053 -12.825 1.00 1.55 H new ATOM 0 HG3 LYS A 83 7.677 8.260 -12.948 1.00 1.55 H new ATOM 0 HD2 LYS A 83 10.529 8.932 -13.709 1.00 1.68 H new ATOM 0 HD3 LYS A 83 9.478 8.093 -14.833 1.00 1.68 H new ATOM 0 HE2 LYS A 83 8.991 10.843 -13.613 1.00 2.22 H new ATOM 0 HE3 LYS A 83 9.440 10.506 -15.273 1.00 2.22 H new ATOM 0 HZ1 LYS A 83 7.250 10.637 -15.590 1.00 3.28 H new ATOM 0 HZ2 LYS A 83 7.235 9.027 -15.048 1.00 3.28 H new ATOM 0 HZ3 LYS A 83 6.865 10.288 -13.973 1.00 3.28 H new ATOM 1327 N PRO A 84 9.615 7.513 -8.344 1.00 0.66 N ATOM 1328 CA PRO A 84 9.916 7.516 -6.916 1.00 0.63 C ATOM 1329 C PRO A 84 10.337 8.879 -6.367 1.00 0.66 C ATOM 1330 O PRO A 84 10.043 9.177 -5.215 1.00 0.65 O ATOM 1331 CB PRO A 84 10.976 6.433 -6.684 1.00 0.69 C ATOM 1332 CG PRO A 84 11.516 6.131 -8.081 1.00 0.71 C ATOM 1333 CD PRO A 84 10.324 6.421 -8.990 1.00 0.70 C ATOM 0 HA PRO A 84 9.007 7.297 -6.356 1.00 0.63 H new ATOM 0 HB2 PRO A 84 11.765 6.784 -6.019 1.00 0.69 H new ATOM 0 HB3 PRO A 84 10.544 5.545 -6.224 1.00 0.69 H new ATOM 0 HG2 PRO A 84 12.371 6.761 -8.326 1.00 0.71 H new ATOM 0 HG3 PRO A 84 11.847 5.096 -8.169 1.00 0.71 H new ATOM 0 HD2 PRO A 84 10.650 6.700 -9.992 1.00 0.70 H new ATOM 0 HD3 PRO A 84 9.686 5.544 -9.096 1.00 0.70 H new ATOM 1341 N LYS A 85 10.985 9.731 -7.167 1.00 0.75 N ATOM 1342 CA LYS A 85 11.303 11.100 -6.780 1.00 0.86 C ATOM 1343 C LYS A 85 10.057 11.885 -6.344 1.00 0.82 C ATOM 1344 O LYS A 85 10.138 12.687 -5.416 1.00 0.88 O ATOM 1345 CB LYS A 85 12.035 11.794 -7.933 1.00 1.03 C ATOM 1346 CG LYS A 85 13.520 12.009 -7.657 1.00 1.24 C ATOM 1347 CD LYS A 85 14.204 12.612 -8.893 1.00 2.33 C ATOM 1348 CE LYS A 85 15.727 12.741 -8.736 1.00 2.67 C ATOM 1349 NZ LYS A 85 16.116 13.730 -7.709 1.00 3.80 N ATOM 0 H LYS A 85 11.303 9.485 -8.104 1.00 0.75 H new ATOM 0 HA LYS A 85 11.957 11.070 -5.909 1.00 0.86 H new ATOM 0 HB2 LYS A 85 11.923 11.197 -8.838 1.00 1.03 H new ATOM 0 HB3 LYS A 85 11.564 12.758 -8.126 1.00 1.03 H new ATOM 0 HG2 LYS A 85 13.647 12.673 -6.802 1.00 1.24 H new ATOM 0 HG3 LYS A 85 13.991 11.061 -7.397 1.00 1.24 H new ATOM 0 HD2 LYS A 85 13.986 11.990 -9.761 1.00 2.33 H new ATOM 0 HD3 LYS A 85 13.780 13.597 -9.091 1.00 2.33 H new ATOM 0 HE2 LYS A 85 16.144 11.769 -8.474 1.00 2.67 H new ATOM 0 HE3 LYS A 85 16.163 13.027 -9.693 1.00 2.67 H new ATOM 0 HZ1 LYS A 85 17.153 13.775 -7.646 1.00 3.80 H new ATOM 0 HZ2 LYS A 85 15.744 14.666 -7.969 1.00 3.80 H new ATOM 0 HZ3 LYS A 85 15.725 13.446 -6.788 1.00 3.80 H new ATOM 1363 N GLN A 86 8.909 11.668 -6.995 1.00 0.77 N ATOM 1364 CA GLN A 86 7.659 12.309 -6.610 1.00 0.78 C ATOM 1365 C GLN A 86 7.174 11.766 -5.268 1.00 0.68 C ATOM 1366 O GLN A 86 6.613 12.515 -4.465 1.00 0.88 O ATOM 1367 CB GLN A 86 6.608 12.151 -7.712 1.00 0.85 C ATOM 1368 CG GLN A 86 6.837 13.042 -8.942 1.00 1.12 C ATOM 1369 CD GLN A 86 6.575 14.522 -8.675 1.00 1.48 C ATOM 1370 OE1 GLN A 86 5.507 15.041 -8.972 1.00 2.87 O ATOM 1371 NE2 GLN A 86 7.555 15.241 -8.136 1.00 1.94 N ATOM 0 H GLN A 86 8.826 11.045 -7.799 1.00 0.77 H new ATOM 0 HA GLN A 86 7.833 13.378 -6.485 1.00 0.78 H new ATOM 0 HB2 GLN A 86 6.589 11.109 -8.032 1.00 0.85 H new ATOM 0 HB3 GLN A 86 5.626 12.374 -7.295 1.00 0.85 H new ATOM 0 HG2 GLN A 86 7.864 12.918 -9.285 1.00 1.12 H new ATOM 0 HG3 GLN A 86 6.188 12.706 -9.751 1.00 1.12 H new ATOM 0 HE21 GLN A 86 8.440 14.796 -7.893 1.00 1.94 H new ATOM 0 HE22 GLN A 86 7.422 16.238 -7.965 1.00 1.94 H new ATOM 1380 N LEU A 87 7.387 10.475 -5.001 1.00 0.51 N ATOM 1381 CA LEU A 87 7.030 9.903 -3.710 1.00 0.48 C ATOM 1382 C LEU A 87 7.967 10.462 -2.638 1.00 0.49 C ATOM 1383 O LEU A 87 7.515 10.877 -1.577 1.00 0.51 O ATOM 1384 CB LEU A 87 6.989 8.366 -3.746 1.00 0.48 C ATOM 1385 CG LEU A 87 5.700 7.821 -4.398 1.00 0.61 C ATOM 1386 CD1 LEU A 87 5.744 7.809 -5.932 1.00 1.15 C ATOM 1387 CD2 LEU A 87 5.415 6.392 -3.921 1.00 0.95 C ATOM 0 H LEU A 87 7.802 9.815 -5.659 1.00 0.51 H new ATOM 0 HA LEU A 87 6.012 10.198 -3.454 1.00 0.48 H new ATOM 0 HB2 LEU A 87 7.854 7.996 -4.296 1.00 0.48 H new ATOM 0 HB3 LEU A 87 7.069 7.980 -2.730 1.00 0.48 H new ATOM 0 HG LEU A 87 4.910 8.505 -4.088 1.00 0.61 H new ATOM 0 HD11 LEU A 87 4.805 7.414 -6.320 1.00 1.15 H new ATOM 0 HD12 LEU A 87 5.890 8.825 -6.300 1.00 1.15 H new ATOM 0 HD13 LEU A 87 6.569 7.180 -6.267 1.00 1.15 H new ATOM 0 HD21 LEU A 87 4.503 6.026 -4.392 1.00 0.95 H new ATOM 0 HD22 LEU A 87 6.249 5.745 -4.193 1.00 0.95 H new ATOM 0 HD23 LEU A 87 5.291 6.388 -2.838 1.00 0.95 H new ATOM 1399 N LYS A 88 9.265 10.539 -2.932 1.00 0.53 N ATOM 1400 CA LYS A 88 10.261 11.169 -2.078 1.00 0.69 C ATOM 1401 C LYS A 88 9.880 12.629 -1.768 1.00 0.77 C ATOM 1402 O LYS A 88 9.834 13.009 -0.601 1.00 0.82 O ATOM 1403 CB LYS A 88 11.663 10.973 -2.684 1.00 0.89 C ATOM 1404 CG LYS A 88 12.386 9.757 -2.062 1.00 1.18 C ATOM 1405 CD LYS A 88 13.809 9.610 -2.630 1.00 1.48 C ATOM 1406 CE LYS A 88 14.523 8.280 -2.308 1.00 2.28 C ATOM 1407 NZ LYS A 88 14.869 8.081 -0.881 1.00 2.12 N ATOM 0 H LYS A 88 9.658 10.155 -3.791 1.00 0.53 H new ATOM 0 HA LYS A 88 10.288 10.684 -1.102 1.00 0.69 H new ATOM 0 HB2 LYS A 88 11.578 10.834 -3.762 1.00 0.89 H new ATOM 0 HB3 LYS A 88 12.258 11.872 -2.524 1.00 0.89 H new ATOM 0 HG2 LYS A 88 12.433 9.873 -0.979 1.00 1.18 H new ATOM 0 HG3 LYS A 88 11.816 8.850 -2.261 1.00 1.18 H new ATOM 0 HD2 LYS A 88 13.762 9.723 -3.713 1.00 1.48 H new ATOM 0 HD3 LYS A 88 14.419 10.430 -2.250 1.00 1.48 H new ATOM 0 HE2 LYS A 88 13.885 7.456 -2.629 1.00 2.28 H new ATOM 0 HE3 LYS A 88 15.437 8.224 -2.899 1.00 2.28 H new ATOM 0 HZ1 LYS A 88 15.830 7.690 -0.808 1.00 2.12 H new ATOM 0 HZ2 LYS A 88 14.827 8.993 -0.383 1.00 2.12 H new ATOM 0 HZ3 LYS A 88 14.193 7.420 -0.449 1.00 2.12 H new ATOM 1421 N LYS A 89 9.552 13.457 -2.766 1.00 0.83 N ATOM 1422 CA LYS A 89 9.005 14.782 -2.543 1.00 0.97 C ATOM 1423 C LYS A 89 7.776 14.740 -1.629 1.00 0.87 C ATOM 1424 O LYS A 89 7.703 15.455 -0.633 1.00 0.96 O ATOM 1425 CB LYS A 89 8.653 15.402 -3.903 1.00 1.13 C ATOM 1426 CG LYS A 89 8.271 16.859 -3.665 1.00 2.73 C ATOM 1427 CD LYS A 89 7.970 17.610 -4.970 1.00 2.86 C ATOM 1428 CE LYS A 89 6.895 18.698 -4.802 1.00 4.85 C ATOM 1429 NZ LYS A 89 7.162 19.660 -3.715 1.00 5.19 N ATOM 0 H LYS A 89 9.662 13.218 -3.751 1.00 0.83 H new ATOM 0 HA LYS A 89 9.752 15.395 -2.038 1.00 0.97 H new ATOM 0 HB2 LYS A 89 9.501 15.336 -4.584 1.00 1.13 H new ATOM 0 HB3 LYS A 89 7.828 14.862 -4.367 1.00 1.13 H new ATOM 0 HG2 LYS A 89 7.396 16.900 -3.016 1.00 2.73 H new ATOM 0 HG3 LYS A 89 9.082 17.362 -3.139 1.00 2.73 H new ATOM 0 HD2 LYS A 89 8.888 18.067 -5.340 1.00 2.86 H new ATOM 0 HD3 LYS A 89 7.642 16.897 -5.726 1.00 2.86 H new ATOM 0 HE2 LYS A 89 6.801 19.246 -5.740 1.00 4.85 H new ATOM 0 HE3 LYS A 89 5.935 18.217 -4.616 1.00 4.85 H new ATOM 0 HZ1 LYS A 89 6.409 20.377 -3.693 1.00 5.19 H new ATOM 0 HZ2 LYS A 89 7.189 19.157 -2.805 1.00 5.19 H new ATOM 0 HZ3 LYS A 89 8.077 20.125 -3.880 1.00 5.19 H new ATOM 1443 N PHE A 90 6.786 13.923 -1.979 1.00 0.78 N ATOM 1444 CA PHE A 90 5.542 13.835 -1.230 1.00 0.78 C ATOM 1445 C PHE A 90 5.828 13.466 0.224 1.00 0.72 C ATOM 1446 O PHE A 90 5.199 13.978 1.143 1.00 0.83 O ATOM 1447 CB PHE A 90 4.653 12.806 -1.920 1.00 0.76 C ATOM 1448 CG PHE A 90 3.260 12.646 -1.360 1.00 0.80 C ATOM 1449 CD1 PHE A 90 3.027 11.673 -0.373 1.00 1.97 C ATOM 1450 CD2 PHE A 90 2.172 13.282 -1.989 1.00 2.19 C ATOM 1451 CE1 PHE A 90 1.712 11.296 -0.064 1.00 1.98 C ATOM 1452 CE2 PHE A 90 0.857 12.900 -1.676 1.00 2.32 C ATOM 1453 CZ PHE A 90 0.628 11.899 -0.718 1.00 1.14 C ATOM 0 H PHE A 90 6.826 13.305 -2.790 1.00 0.78 H new ATOM 0 HA PHE A 90 5.027 14.795 -1.213 1.00 0.78 H new ATOM 0 HB2 PHE A 90 4.570 13.076 -2.973 1.00 0.76 H new ATOM 0 HB3 PHE A 90 5.153 11.838 -1.877 1.00 0.76 H new ATOM 0 HD1 PHE A 90 3.858 11.217 0.146 1.00 1.97 H new ATOM 0 HD2 PHE A 90 2.349 14.064 -2.713 1.00 2.19 H new ATOM 0 HE1 PHE A 90 1.533 10.536 0.683 1.00 1.98 H new ATOM 0 HE2 PHE A 90 0.023 13.375 -2.171 1.00 2.32 H new ATOM 0 HZ PHE A 90 -0.382 11.594 -0.485 1.00 1.14 H new ATOM 1463 N ALA A 91 6.813 12.596 0.429 1.00 0.65 N ATOM 1464 CA ALA A 91 7.277 12.177 1.734 1.00 0.74 C ATOM 1465 C ALA A 91 8.045 13.282 2.449 1.00 0.85 C ATOM 1466 O ALA A 91 8.038 13.360 3.669 1.00 1.07 O ATOM 1467 CB ALA A 91 8.194 10.983 1.551 1.00 0.76 C ATOM 0 H ALA A 91 7.321 12.154 -0.337 1.00 0.65 H new ATOM 0 HA ALA A 91 6.409 11.926 2.344 1.00 0.74 H new ATOM 0 HB1 ALA A 91 8.556 10.650 2.524 1.00 0.76 H new ATOM 0 HB2 ALA A 91 7.645 10.173 1.071 1.00 0.76 H new ATOM 0 HB3 ALA A 91 9.041 11.267 0.926 1.00 0.76 H new ATOM 1473 N ALA A 92 8.743 14.134 1.701 1.00 0.85 N ATOM 1474 CA ALA A 92 9.294 15.345 2.277 1.00 1.02 C ATOM 1475 C ALA A 92 8.151 16.230 2.786 1.00 0.95 C ATOM 1476 O ALA A 92 8.321 16.922 3.787 1.00 1.03 O ATOM 1477 CB ALA A 92 10.184 16.059 1.258 1.00 1.19 C ATOM 0 H ALA A 92 8.935 14.006 0.708 1.00 0.85 H new ATOM 0 HA ALA A 92 9.928 15.101 3.129 1.00 1.02 H new ATOM 0 HB1 ALA A 92 10.591 16.967 1.703 1.00 1.19 H new ATOM 0 HB2 ALA A 92 11.001 15.401 0.964 1.00 1.19 H new ATOM 0 HB3 ALA A 92 9.594 16.319 0.379 1.00 1.19 H new ATOM 1483 N ASN A 93 6.988 16.200 2.118 1.00 0.87 N ATOM 1484 CA ASN A 93 5.830 16.968 2.579 1.00 0.85 C ATOM 1485 C ASN A 93 5.175 16.306 3.806 1.00 0.69 C ATOM 1486 O ASN A 93 5.138 16.890 4.887 1.00 0.67 O ATOM 1487 CB ASN A 93 4.789 17.179 1.465 1.00 0.95 C ATOM 1488 CG ASN A 93 5.309 17.782 0.160 1.00 1.24 C ATOM 1489 OD1 ASN A 93 6.362 18.411 0.092 1.00 1.34 O ATOM 1490 ND2 ASN A 93 4.527 17.602 -0.901 1.00 2.59 N ATOM 0 H ASN A 93 6.829 15.659 1.268 1.00 0.87 H new ATOM 0 HA ASN A 93 6.203 17.950 2.870 1.00 0.85 H new ATOM 0 HB2 ASN A 93 4.330 16.217 1.239 1.00 0.95 H new ATOM 0 HB3 ASN A 93 4.001 17.825 1.851 1.00 0.95 H new ATOM 0 HD21 ASN A 93 4.796 17.991 -1.805 1.00 2.59 H new ATOM 0 HD22 ASN A 93 3.659 17.074 -0.811 1.00 2.59 H new ATOM 1497 N TYR A 94 4.613 15.103 3.642 1.00 0.71 N ATOM 1498 CA TYR A 94 3.962 14.350 4.715 1.00 0.73 C ATOM 1499 C TYR A 94 5.012 13.919 5.748 1.00 0.73 C ATOM 1500 O TYR A 94 5.952 13.231 5.369 1.00 0.82 O ATOM 1501 CB TYR A 94 3.238 13.129 4.138 1.00 0.81 C ATOM 1502 CG TYR A 94 1.796 13.420 3.779 1.00 0.79 C ATOM 1503 CD1 TYR A 94 0.836 13.506 4.803 1.00 2.03 C ATOM 1504 CD2 TYR A 94 1.410 13.619 2.443 1.00 1.68 C ATOM 1505 CE1 TYR A 94 -0.516 13.717 4.490 1.00 2.17 C ATOM 1506 CE2 TYR A 94 0.058 13.842 2.130 1.00 1.61 C ATOM 1507 CZ TYR A 94 -0.906 13.895 3.155 1.00 0.98 C ATOM 1508 OH TYR A 94 -2.232 14.028 2.865 1.00 1.21 O ATOM 0 H TYR A 94 4.599 14.619 2.744 1.00 0.71 H new ATOM 0 HA TYR A 94 3.223 14.984 5.206 1.00 0.73 H new ATOM 0 HB2 TYR A 94 3.767 12.785 3.249 1.00 0.81 H new ATOM 0 HB3 TYR A 94 3.271 12.316 4.863 1.00 0.81 H new ATOM 0 HD1 TYR A 94 1.140 13.409 5.835 1.00 2.03 H new ATOM 0 HD2 TYR A 94 2.151 13.601 1.658 1.00 1.68 H new ATOM 0 HE1 TYR A 94 -1.255 13.742 5.277 1.00 2.17 H new ATOM 0 HE2 TYR A 94 -0.242 13.973 1.101 1.00 1.61 H new ATOM 0 HH TYR A 94 -2.345 14.145 1.899 1.00 1.21 H new ATOM 1518 N PRO A 95 4.887 14.282 7.036 1.00 0.75 N ATOM 1519 CA PRO A 95 5.931 14.052 8.028 1.00 0.80 C ATOM 1520 C PRO A 95 6.094 12.557 8.324 1.00 0.81 C ATOM 1521 O PRO A 95 5.507 12.040 9.276 1.00 1.09 O ATOM 1522 CB PRO A 95 5.499 14.861 9.259 1.00 0.90 C ATOM 1523 CG PRO A 95 3.976 14.895 9.141 1.00 0.90 C ATOM 1524 CD PRO A 95 3.758 14.977 7.629 1.00 0.81 C ATOM 0 HA PRO A 95 6.913 14.372 7.681 1.00 0.80 H new ATOM 0 HB2 PRO A 95 5.820 14.385 10.186 1.00 0.90 H new ATOM 0 HB3 PRO A 95 5.926 15.864 9.251 1.00 0.90 H new ATOM 0 HG2 PRO A 95 3.517 14.004 9.569 1.00 0.90 H new ATOM 0 HG3 PRO A 95 3.549 15.754 9.659 1.00 0.90 H new ATOM 0 HD2 PRO A 95 2.815 14.510 7.343 1.00 0.81 H new ATOM 0 HD3 PRO A 95 3.715 16.013 7.294 1.00 0.81 H new ATOM 1532 N LEU A 96 6.882 11.862 7.497 1.00 0.67 N ATOM 1533 CA LEU A 96 7.057 10.420 7.546 1.00 0.70 C ATOM 1534 C LEU A 96 8.519 10.016 7.663 1.00 0.74 C ATOM 1535 O LEU A 96 9.420 10.826 7.446 1.00 0.84 O ATOM 1536 CB LEU A 96 6.360 9.798 6.333 1.00 0.76 C ATOM 1537 CG LEU A 96 7.033 9.925 4.966 1.00 0.71 C ATOM 1538 CD1 LEU A 96 8.147 8.887 4.756 1.00 0.71 C ATOM 1539 CD2 LEU A 96 5.916 9.723 3.937 1.00 0.82 C ATOM 0 H LEU A 96 7.427 12.306 6.758 1.00 0.67 H new ATOM 0 HA LEU A 96 6.591 10.033 8.452 1.00 0.70 H new ATOM 0 HB2 LEU A 96 6.221 8.736 6.538 1.00 0.76 H new ATOM 0 HB3 LEU A 96 5.367 10.241 6.257 1.00 0.76 H new ATOM 0 HG LEU A 96 7.518 10.897 4.872 1.00 0.71 H new ATOM 0 HD11 LEU A 96 8.590 9.023 3.769 1.00 0.71 H new ATOM 0 HD12 LEU A 96 8.914 9.017 5.519 1.00 0.71 H new ATOM 0 HD13 LEU A 96 7.728 7.884 4.830 1.00 0.71 H new ATOM 0 HD21 LEU A 96 6.329 9.801 2.931 1.00 0.82 H new ATOM 0 HD22 LEU A 96 5.472 8.737 4.071 1.00 0.82 H new ATOM 0 HD23 LEU A 96 5.151 10.487 4.076 1.00 0.82 H new ATOM 1551 N SER A 97 8.735 8.742 7.998 1.00 0.78 N ATOM 1552 CA SER A 97 10.032 8.200 8.343 1.00 0.79 C ATOM 1553 C SER A 97 10.290 6.939 7.517 1.00 0.62 C ATOM 1554 O SER A 97 9.625 5.926 7.720 1.00 0.76 O ATOM 1555 CB SER A 97 10.026 7.895 9.845 1.00 1.24 C ATOM 1556 OG SER A 97 9.570 9.019 10.574 1.00 2.83 O ATOM 0 H SER A 97 7.988 8.049 8.035 1.00 0.78 H new ATOM 0 HA SER A 97 10.830 8.909 8.123 1.00 0.79 H new ATOM 0 HB2 SER A 97 9.383 7.038 10.046 1.00 1.24 H new ATOM 0 HB3 SER A 97 11.030 7.624 10.172 1.00 1.24 H new ATOM 0 HG SER A 97 9.570 8.810 11.531 1.00 2.83 H new ATOM 1562 N PHE A 98 11.271 6.983 6.608 1.00 0.56 N ATOM 1563 CA PHE A 98 11.709 5.812 5.844 1.00 0.49 C ATOM 1564 C PHE A 98 12.155 4.659 6.757 1.00 0.42 C ATOM 1565 O PHE A 98 12.046 3.501 6.364 1.00 0.41 O ATOM 1566 CB PHE A 98 12.809 6.204 4.853 1.00 0.58 C ATOM 1567 CG PHE A 98 12.354 7.218 3.818 1.00 0.65 C ATOM 1568 CD1 PHE A 98 11.532 6.803 2.754 1.00 1.90 C ATOM 1569 CD2 PHE A 98 12.653 8.586 3.974 1.00 1.86 C ATOM 1570 CE1 PHE A 98 10.991 7.750 1.865 1.00 1.94 C ATOM 1571 CE2 PHE A 98 12.126 9.531 3.077 1.00 1.90 C ATOM 1572 CZ PHE A 98 11.298 9.113 2.021 1.00 0.85 C ATOM 0 H PHE A 98 11.784 7.835 6.382 1.00 0.56 H new ATOM 0 HA PHE A 98 10.853 5.444 5.279 1.00 0.49 H new ATOM 0 HB2 PHE A 98 13.656 6.613 5.404 1.00 0.58 H new ATOM 0 HB3 PHE A 98 13.164 5.309 4.342 1.00 0.58 H new ATOM 0 HD1 PHE A 98 11.316 5.754 2.619 1.00 1.90 H new ATOM 0 HD2 PHE A 98 13.289 8.909 4.785 1.00 1.86 H new ATOM 0 HE1 PHE A 98 10.341 7.430 1.064 1.00 1.94 H new ATOM 0 HE2 PHE A 98 12.357 10.579 3.199 1.00 1.90 H new ATOM 0 HZ PHE A 98 10.897 9.839 1.329 1.00 0.85 H new ATOM 1582 N ASP A 99 12.606 5.012 7.972 1.00 0.45 N ATOM 1583 CA ASP A 99 12.749 4.237 9.207 1.00 0.51 C ATOM 1584 C ASP A 99 12.476 2.739 9.061 1.00 0.46 C ATOM 1585 O ASP A 99 13.374 1.926 9.268 1.00 0.60 O ATOM 1586 CB ASP A 99 11.849 4.932 10.243 1.00 0.79 C ATOM 1587 CG ASP A 99 11.483 4.147 11.492 1.00 1.21 C ATOM 1588 OD1 ASP A 99 10.814 3.100 11.351 1.00 2.48 O ATOM 1589 OD2 ASP A 99 11.614 4.696 12.606 1.00 2.16 O ATOM 0 H ASP A 99 12.917 5.971 8.126 1.00 0.45 H new ATOM 0 HA ASP A 99 13.791 4.235 9.528 1.00 0.51 H new ATOM 0 HB2 ASP A 99 12.344 5.851 10.556 1.00 0.79 H new ATOM 0 HB3 ASP A 99 10.924 5.222 9.745 1.00 0.79 H new ATOM 1594 N ASN A 100 11.242 2.384 8.707 1.00 0.43 N ATOM 1595 CA ASN A 100 10.848 0.996 8.502 1.00 0.42 C ATOM 1596 C ASN A 100 9.711 0.949 7.486 1.00 0.49 C ATOM 1597 O ASN A 100 8.657 0.365 7.737 1.00 0.65 O ATOM 1598 CB ASN A 100 10.430 0.413 9.855 1.00 0.54 C ATOM 1599 CG ASN A 100 10.118 -1.074 9.780 1.00 0.79 C ATOM 1600 OD1 ASN A 100 10.853 -1.836 9.166 1.00 1.79 O ATOM 1601 ND2 ASN A 100 9.031 -1.503 10.415 1.00 0.57 N ATOM 0 H ASN A 100 10.488 3.054 8.555 1.00 0.43 H new ATOM 0 HA ASN A 100 11.671 0.400 8.108 1.00 0.42 H new ATOM 0 HB2 ASN A 100 11.228 0.577 10.579 1.00 0.54 H new ATOM 0 HB3 ASN A 100 9.553 0.947 10.221 1.00 0.54 H new ATOM 0 HD21 ASN A 100 8.789 -2.494 10.399 1.00 0.57 H new ATOM 0 HD22 ASN A 100 8.439 -0.841 10.918 1.00 0.57 H new ATOM 1608 N TRP A 101 9.944 1.576 6.334 1.00 0.45 N ATOM 1609 CA TRP A 101 8.932 1.864 5.329 1.00 0.45 C ATOM 1610 C TRP A 101 9.504 1.667 3.924 1.00 0.47 C ATOM 1611 O TRP A 101 10.413 2.393 3.519 1.00 0.53 O ATOM 1612 CB TRP A 101 8.450 3.303 5.547 1.00 0.47 C ATOM 1613 CG TRP A 101 7.138 3.728 4.964 1.00 0.39 C ATOM 1614 CD1 TRP A 101 6.530 3.260 3.848 1.00 0.39 C ATOM 1615 CD2 TRP A 101 6.244 4.745 5.501 1.00 0.40 C ATOM 1616 NE1 TRP A 101 5.322 3.907 3.686 1.00 0.41 N ATOM 1617 CE2 TRP A 101 5.075 4.802 4.696 1.00 0.43 C ATOM 1618 CE3 TRP A 101 6.322 5.655 6.570 1.00 0.51 C ATOM 1619 CZ2 TRP A 101 4.019 5.684 4.959 1.00 0.55 C ATOM 1620 CZ3 TRP A 101 5.244 6.493 6.891 1.00 0.58 C ATOM 1621 CH2 TRP A 101 4.096 6.516 6.086 1.00 0.62 C ATOM 0 H TRP A 101 10.872 1.906 6.070 1.00 0.45 H new ATOM 0 HA TRP A 101 8.088 1.180 5.425 1.00 0.45 H new ATOM 0 HB2 TRP A 101 8.402 3.474 6.622 1.00 0.47 H new ATOM 0 HB3 TRP A 101 9.216 3.970 5.152 1.00 0.47 H new ATOM 0 HD1 TRP A 101 6.927 2.501 3.190 1.00 0.39 H new ATOM 0 HE1 TRP A 101 4.687 3.739 2.906 1.00 0.41 H new ATOM 0 HE3 TRP A 101 7.228 5.710 7.155 1.00 0.51 H new ATOM 0 HZ2 TRP A 101 3.160 5.723 4.305 1.00 0.55 H new ATOM 0 HZ3 TRP A 101 5.299 7.125 7.765 1.00 0.58 H new ATOM 0 HH2 TRP A 101 3.274 7.172 6.333 1.00 0.62 H new ATOM 1632 N ASP A 102 8.957 0.702 3.180 1.00 0.47 N ATOM 1633 CA ASP A 102 9.391 0.377 1.825 1.00 0.54 C ATOM 1634 C ASP A 102 8.358 0.935 0.836 1.00 0.50 C ATOM 1635 O ASP A 102 7.328 0.309 0.581 1.00 0.51 O ATOM 1636 CB ASP A 102 9.557 -1.146 1.675 1.00 0.62 C ATOM 1637 CG ASP A 102 10.884 -1.698 2.187 1.00 0.59 C ATOM 1638 OD1 ASP A 102 11.920 -1.122 1.789 1.00 1.58 O ATOM 1639 OD2 ASP A 102 10.853 -2.721 2.913 1.00 1.47 O ATOM 0 H ASP A 102 8.189 0.118 3.510 1.00 0.47 H new ATOM 0 HA ASP A 102 10.360 0.830 1.615 1.00 0.54 H new ATOM 0 HB2 ASP A 102 8.744 -1.640 2.207 1.00 0.62 H new ATOM 0 HB3 ASP A 102 9.453 -1.407 0.622 1.00 0.62 H new ATOM 1644 N PHE A 103 8.622 2.113 0.264 1.00 0.54 N ATOM 1645 CA PHE A 103 7.770 2.681 -0.773 1.00 0.57 C ATOM 1646 C PHE A 103 8.105 2.011 -2.104 1.00 0.71 C ATOM 1647 O PHE A 103 9.090 2.374 -2.743 1.00 1.01 O ATOM 1648 CB PHE A 103 7.920 4.199 -0.876 1.00 0.65 C ATOM 1649 CG PHE A 103 7.427 4.966 0.328 1.00 0.41 C ATOM 1650 CD1 PHE A 103 8.299 5.244 1.395 1.00 1.81 C ATOM 1651 CD2 PHE A 103 6.097 5.422 0.366 1.00 1.68 C ATOM 1652 CE1 PHE A 103 7.863 6.042 2.465 1.00 2.10 C ATOM 1653 CE2 PHE A 103 5.659 6.210 1.441 1.00 1.50 C ATOM 1654 CZ PHE A 103 6.550 6.544 2.473 1.00 0.85 C ATOM 0 H PHE A 103 9.426 2.692 0.507 1.00 0.54 H new ATOM 0 HA PHE A 103 6.729 2.491 -0.511 1.00 0.57 H new ATOM 0 HB2 PHE A 103 8.972 4.436 -1.035 1.00 0.65 H new ATOM 0 HB3 PHE A 103 7.379 4.545 -1.757 1.00 0.65 H new ATOM 0 HD1 PHE A 103 9.302 4.845 1.392 1.00 1.81 H new ATOM 0 HD2 PHE A 103 5.414 5.166 -0.431 1.00 1.68 H new ATOM 0 HE1 PHE A 103 8.535 6.269 3.280 1.00 2.10 H new ATOM 0 HE2 PHE A 103 4.638 6.559 1.474 1.00 1.50 H new ATOM 0 HZ PHE A 103 6.226 7.189 3.276 1.00 0.85 H new ATOM 1664 N LEU A 104 7.318 1.021 -2.516 1.00 0.60 N ATOM 1665 CA LEU A 104 7.647 0.175 -3.653 1.00 0.63 C ATOM 1666 C LEU A 104 7.320 0.858 -4.973 1.00 0.63 C ATOM 1667 O LEU A 104 6.234 1.410 -5.139 1.00 0.80 O ATOM 1668 CB LEU A 104 6.972 -1.191 -3.536 1.00 0.67 C ATOM 1669 CG LEU A 104 7.344 -1.907 -2.231 1.00 0.62 C ATOM 1670 CD1 LEU A 104 6.807 -3.333 -2.294 1.00 0.65 C ATOM 1671 CD2 LEU A 104 8.856 -1.994 -2.005 1.00 0.66 C ATOM 0 H LEU A 104 6.433 0.785 -2.068 1.00 0.60 H new ATOM 0 HA LEU A 104 8.724 0.009 -3.642 1.00 0.63 H new ATOM 0 HB2 LEU A 104 5.890 -1.066 -3.585 1.00 0.67 H new ATOM 0 HB3 LEU A 104 7.260 -1.811 -4.385 1.00 0.67 H new ATOM 0 HG LEU A 104 6.912 -1.330 -1.413 1.00 0.62 H new ATOM 0 HD11 LEU A 104 7.062 -3.859 -1.374 1.00 0.65 H new ATOM 0 HD12 LEU A 104 5.723 -3.309 -2.410 1.00 0.65 H new ATOM 0 HD13 LEU A 104 7.251 -3.852 -3.143 1.00 0.65 H new ATOM 0 HD21 LEU A 104 9.054 -2.511 -1.066 1.00 0.66 H new ATOM 0 HD22 LEU A 104 9.316 -2.544 -2.826 1.00 0.66 H new ATOM 0 HD23 LEU A 104 9.276 -0.989 -1.962 1.00 0.66 H new ATOM 1683 N THR A 105 8.251 0.802 -5.925 1.00 0.53 N ATOM 1684 CA THR A 105 8.019 1.321 -7.258 1.00 0.55 C ATOM 1685 C THR A 105 7.035 0.387 -7.961 1.00 0.53 C ATOM 1686 O THR A 105 5.919 0.775 -8.288 1.00 0.80 O ATOM 1687 CB THR A 105 9.356 1.440 -8.011 1.00 0.60 C ATOM 1688 OG1 THR A 105 9.970 0.170 -8.140 1.00 0.63 O ATOM 1689 CG2 THR A 105 10.316 2.384 -7.277 1.00 0.76 C ATOM 0 H THR A 105 9.177 0.398 -5.789 1.00 0.53 H new ATOM 0 HA THR A 105 7.587 2.321 -7.225 1.00 0.55 H new ATOM 0 HB THR A 105 9.141 1.844 -9.000 1.00 0.60 H new ATOM 0 HG1 THR A 105 10.323 -0.112 -7.271 1.00 0.63 H new ATOM 0 HG21 THR A 105 11.253 2.451 -7.829 1.00 0.76 H new ATOM 0 HG22 THR A 105 9.867 3.374 -7.203 1.00 0.76 H new ATOM 0 HG23 THR A 105 10.511 1.998 -6.276 1.00 0.76 H new ATOM 1697 N GLY A 106 7.479 -0.850 -8.191 1.00 0.51 N ATOM 1698 CA GLY A 106 6.810 -1.816 -9.049 1.00 0.73 C ATOM 1699 C GLY A 106 7.077 -1.529 -10.531 1.00 0.69 C ATOM 1700 O GLY A 106 6.437 -2.123 -11.389 1.00 0.93 O ATOM 0 H GLY A 106 8.336 -1.212 -7.773 1.00 0.51 H new ATOM 0 HA2 GLY A 106 7.153 -2.821 -8.804 1.00 0.73 H new ATOM 0 HA3 GLY A 106 5.737 -1.791 -8.860 1.00 0.73 H new ATOM 1704 N TYR A 107 8.040 -0.645 -10.819 1.00 0.69 N ATOM 1705 CA TYR A 107 8.532 -0.293 -12.145 1.00 0.78 C ATOM 1706 C TYR A 107 7.473 -0.264 -13.253 1.00 0.94 C ATOM 1707 O TYR A 107 6.658 0.662 -13.271 1.00 1.35 O ATOM 1708 CB TYR A 107 9.819 -1.084 -12.431 1.00 1.24 C ATOM 1709 CG TYR A 107 10.762 -0.448 -13.435 1.00 1.47 C ATOM 1710 CD1 TYR A 107 11.515 0.678 -13.056 1.00 2.95 C ATOM 1711 CD2 TYR A 107 11.006 -1.059 -14.680 1.00 1.89 C ATOM 1712 CE1 TYR A 107 12.505 1.192 -13.912 1.00 3.30 C ATOM 1713 CE2 TYR A 107 11.983 -0.535 -15.544 1.00 2.14 C ATOM 1714 CZ TYR A 107 12.740 0.582 -15.156 1.00 2.30 C ATOM 1715 OH TYR A 107 13.725 1.049 -15.975 1.00 2.75 O ATOM 0 H TYR A 107 8.522 -0.128 -10.084 1.00 0.69 H new ATOM 0 HA TYR A 107 8.806 0.762 -12.146 1.00 0.78 H new ATOM 0 HB2 TYR A 107 10.355 -1.225 -11.493 1.00 1.24 H new ATOM 0 HB3 TYR A 107 9.544 -2.075 -12.793 1.00 1.24 H new ATOM 0 HD1 TYR A 107 11.332 1.150 -12.102 1.00 2.95 H new ATOM 0 HD2 TYR A 107 10.441 -1.932 -14.972 1.00 1.89 H new ATOM 0 HE1 TYR A 107 13.084 2.054 -13.614 1.00 3.30 H new ATOM 0 HE2 TYR A 107 12.152 -0.992 -16.508 1.00 2.14 H new ATOM 0 HH TYR A 107 13.752 0.512 -16.794 1.00 2.75 H new ATOM 1725 N SER A 108 7.500 -1.187 -14.215 1.00 1.31 N ATOM 1726 CA SER A 108 6.609 -1.081 -15.357 1.00 1.58 C ATOM 1727 C SER A 108 5.159 -1.213 -14.895 1.00 1.05 C ATOM 1728 O SER A 108 4.861 -1.969 -13.977 1.00 0.87 O ATOM 1729 CB SER A 108 6.938 -2.159 -16.394 1.00 2.30 C ATOM 1730 OG SER A 108 8.329 -2.236 -16.614 1.00 2.72 O ATOM 0 H SER A 108 8.118 -1.999 -14.223 1.00 1.31 H new ATOM 0 HA SER A 108 6.746 -0.105 -15.822 1.00 1.58 H new ATOM 0 HB2 SER A 108 6.566 -3.125 -16.052 1.00 2.30 H new ATOM 0 HB3 SER A 108 6.429 -1.935 -17.332 1.00 2.30 H new ATOM 0 HG SER A 108 8.747 -2.744 -15.888 1.00 2.72 H new ATOM 1736 N GLN A 109 4.229 -0.546 -15.580 1.00 1.13 N ATOM 1737 CA GLN A 109 2.819 -0.811 -15.417 1.00 0.99 C ATOM 1738 C GLN A 109 2.615 -2.302 -15.637 1.00 0.85 C ATOM 1739 O GLN A 109 2.028 -2.938 -14.787 1.00 0.87 O ATOM 1740 CB GLN A 109 1.985 0.101 -16.320 1.00 1.24 C ATOM 1741 CG GLN A 109 2.346 1.586 -16.124 1.00 1.80 C ATOM 1742 CD GLN A 109 2.296 2.047 -14.669 1.00 2.03 C ATOM 1743 OE1 GLN A 109 1.298 2.587 -14.214 1.00 2.58 O ATOM 1744 NE2 GLN A 109 3.371 1.846 -13.914 1.00 2.40 N ATOM 0 H GLN A 109 4.441 0.187 -16.257 1.00 1.13 H new ATOM 0 HA GLN A 109 2.467 -0.573 -14.413 1.00 0.99 H new ATOM 0 HB2 GLN A 109 2.143 -0.177 -17.362 1.00 1.24 H new ATOM 0 HB3 GLN A 109 0.926 -0.047 -16.107 1.00 1.24 H new ATOM 0 HG2 GLN A 109 3.348 1.761 -16.516 1.00 1.80 H new ATOM 0 HG3 GLN A 109 1.662 2.197 -16.712 1.00 1.80 H new ATOM 0 HE21 GLN A 109 4.195 1.394 -14.310 1.00 2.40 H new ATOM 0 HE22 GLN A 109 3.372 2.144 -12.938 1.00 2.40 H new ATOM 1753 N SER A 110 3.262 -2.890 -16.649 1.00 0.99 N ATOM 1754 CA SER A 110 3.196 -4.333 -16.888 1.00 1.13 C ATOM 1755 C SER A 110 3.404 -5.128 -15.585 1.00 1.09 C ATOM 1756 O SER A 110 2.658 -6.055 -15.276 1.00 1.25 O ATOM 1757 CB SER A 110 4.226 -4.719 -17.961 1.00 1.52 C ATOM 1758 OG SER A 110 4.021 -6.045 -18.402 1.00 3.40 O ATOM 0 H SER A 110 3.841 -2.383 -17.319 1.00 0.99 H new ATOM 0 HA SER A 110 2.201 -4.588 -17.252 1.00 1.13 H new ATOM 0 HB2 SER A 110 4.151 -4.035 -18.806 1.00 1.52 H new ATOM 0 HB3 SER A 110 5.233 -4.617 -17.557 1.00 1.52 H new ATOM 0 HG SER A 110 4.686 -6.269 -19.086 1.00 3.40 H new ATOM 1764 N GLU A 111 4.404 -4.721 -14.798 1.00 1.02 N ATOM 1765 CA GLU A 111 4.725 -5.311 -13.515 1.00 1.09 C ATOM 1766 C GLU A 111 3.654 -4.950 -12.476 1.00 1.00 C ATOM 1767 O GLU A 111 2.908 -5.816 -12.010 1.00 1.25 O ATOM 1768 CB GLU A 111 6.119 -4.814 -13.113 1.00 1.11 C ATOM 1769 CG GLU A 111 7.232 -5.426 -13.970 1.00 1.52 C ATOM 1770 CD GLU A 111 8.530 -4.666 -13.748 1.00 2.43 C ATOM 1771 OE1 GLU A 111 8.694 -3.630 -14.434 1.00 3.49 O ATOM 1772 OE2 GLU A 111 9.312 -5.105 -12.881 1.00 3.16 O ATOM 0 H GLU A 111 5.023 -3.951 -15.051 1.00 1.02 H new ATOM 0 HA GLU A 111 4.737 -6.399 -13.575 1.00 1.09 H new ATOM 0 HB2 GLU A 111 6.153 -3.728 -13.201 1.00 1.11 H new ATOM 0 HB3 GLU A 111 6.298 -5.055 -12.065 1.00 1.11 H new ATOM 0 HG2 GLU A 111 7.366 -6.476 -13.712 1.00 1.52 H new ATOM 0 HG3 GLU A 111 6.954 -5.390 -15.023 1.00 1.52 H new ATOM 1779 N ILE A 112 3.601 -3.674 -12.076 1.00 0.84 N ATOM 1780 CA ILE A 112 2.768 -3.250 -10.954 1.00 0.99 C ATOM 1781 C ILE A 112 1.290 -3.541 -11.237 1.00 1.13 C ATOM 1782 O ILE A 112 0.592 -4.039 -10.361 1.00 1.17 O ATOM 1783 CB ILE A 112 3.094 -1.804 -10.518 1.00 1.06 C ATOM 1784 CG1 ILE A 112 2.703 -1.460 -9.069 1.00 1.47 C ATOM 1785 CG2 ILE A 112 2.628 -0.726 -11.496 1.00 1.13 C ATOM 1786 CD1 ILE A 112 1.222 -1.152 -8.835 1.00 1.96 C ATOM 0 H ILE A 112 4.127 -2.919 -12.516 1.00 0.84 H new ATOM 0 HA ILE A 112 3.008 -3.847 -10.074 1.00 0.99 H new ATOM 0 HB ILE A 112 4.184 -1.794 -10.545 1.00 1.06 H new ATOM 0 HG12 ILE A 112 2.987 -2.295 -8.428 1.00 1.47 H new ATOM 0 HG13 ILE A 112 3.289 -0.598 -8.749 1.00 1.47 H new ATOM 0 HG21 ILE A 112 2.898 0.257 -11.110 1.00 1.13 H new ATOM 0 HG22 ILE A 112 3.107 -0.880 -12.463 1.00 1.13 H new ATOM 0 HG23 ILE A 112 1.546 -0.785 -11.614 1.00 1.13 H new ATOM 0 HD11 ILE A 112 1.060 -0.924 -7.782 1.00 1.96 H new ATOM 0 HD12 ILE A 112 0.928 -0.295 -9.441 1.00 1.96 H new ATOM 0 HD13 ILE A 112 0.622 -2.018 -9.115 1.00 1.96 H new ATOM 1798 N GLU A 113 0.815 -3.283 -12.455 1.00 1.26 N ATOM 1799 CA GLU A 113 -0.531 -3.596 -12.896 1.00 1.33 C ATOM 1800 C GLU A 113 -0.853 -5.071 -12.685 1.00 1.13 C ATOM 1801 O GLU A 113 -1.831 -5.365 -12.007 1.00 0.96 O ATOM 1802 CB GLU A 113 -0.810 -3.087 -14.325 1.00 1.84 C ATOM 1803 CG GLU A 113 -0.584 -4.016 -15.529 1.00 1.64 C ATOM 1804 CD GLU A 113 -0.775 -3.238 -16.831 1.00 2.39 C ATOM 1805 OE1 GLU A 113 0.164 -2.506 -17.217 1.00 3.61 O ATOM 1806 OE2 GLU A 113 -1.881 -3.359 -17.401 1.00 2.69 O ATOM 0 H GLU A 113 1.378 -2.837 -13.179 1.00 1.26 H new ATOM 0 HA GLU A 113 -1.229 -3.046 -12.265 1.00 1.33 H new ATOM 0 HB2 GLU A 113 -1.850 -2.763 -14.356 1.00 1.84 H new ATOM 0 HB3 GLU A 113 -0.195 -2.201 -14.479 1.00 1.84 H new ATOM 0 HG2 GLU A 113 0.421 -4.437 -15.491 1.00 1.64 H new ATOM 0 HG3 GLU A 113 -1.282 -4.853 -15.490 1.00 1.64 H new ATOM 1813 N GLU A 114 -0.051 -6.004 -13.212 1.00 1.26 N ATOM 1814 CA GLU A 114 -0.378 -7.414 -13.059 1.00 1.27 C ATOM 1815 C GLU A 114 -0.376 -7.792 -11.575 1.00 1.05 C ATOM 1816 O GLU A 114 -1.338 -8.391 -11.091 1.00 1.02 O ATOM 1817 CB GLU A 114 0.510 -8.310 -13.917 1.00 1.49 C ATOM 1818 CG GLU A 114 -0.150 -9.692 -14.033 1.00 1.72 C ATOM 1819 CD GLU A 114 0.706 -10.721 -14.752 1.00 1.86 C ATOM 1820 OE1 GLU A 114 1.389 -10.351 -15.725 1.00 3.28 O ATOM 1821 OE2 GLU A 114 0.602 -11.893 -14.323 1.00 1.70 O ATOM 0 H GLU A 114 0.804 -5.810 -13.733 1.00 1.26 H new ATOM 0 HA GLU A 114 -1.387 -7.582 -13.436 1.00 1.27 H new ATOM 0 HB2 GLU A 114 0.646 -7.872 -14.906 1.00 1.49 H new ATOM 0 HB3 GLU A 114 1.500 -8.400 -13.470 1.00 1.49 H new ATOM 0 HG2 GLU A 114 -0.381 -10.059 -13.033 1.00 1.72 H new ATOM 0 HG3 GLU A 114 -1.098 -9.589 -14.561 1.00 1.72 H new ATOM 1828 N PHE A 115 0.670 -7.378 -10.850 1.00 0.95 N ATOM 1829 CA PHE A 115 0.754 -7.526 -9.400 1.00 0.78 C ATOM 1830 C PHE A 115 -0.541 -7.069 -8.723 1.00 0.65 C ATOM 1831 O PHE A 115 -1.115 -7.790 -7.907 1.00 0.64 O ATOM 1832 CB PHE A 115 1.964 -6.737 -8.875 1.00 0.79 C ATOM 1833 CG PHE A 115 1.854 -6.266 -7.435 1.00 0.88 C ATOM 1834 CD1 PHE A 115 1.809 -7.199 -6.383 1.00 1.54 C ATOM 1835 CD2 PHE A 115 1.659 -4.897 -7.162 1.00 2.28 C ATOM 1836 CE1 PHE A 115 1.619 -6.757 -5.061 1.00 1.60 C ATOM 1837 CE2 PHE A 115 1.502 -4.454 -5.839 1.00 2.36 C ATOM 1838 CZ PHE A 115 1.514 -5.381 -4.785 1.00 1.15 C ATOM 0 H PHE A 115 1.487 -6.927 -11.261 1.00 0.95 H new ATOM 0 HA PHE A 115 0.888 -8.580 -9.158 1.00 0.78 H new ATOM 0 HB2 PHE A 115 2.853 -7.361 -8.969 1.00 0.79 H new ATOM 0 HB3 PHE A 115 2.115 -5.867 -9.514 1.00 0.79 H new ATOM 0 HD1 PHE A 115 1.920 -8.253 -6.590 1.00 1.54 H new ATOM 0 HD2 PHE A 115 1.630 -4.186 -7.974 1.00 2.28 H new ATOM 0 HE1 PHE A 115 1.554 -7.475 -4.257 1.00 1.60 H new ATOM 0 HE2 PHE A 115 1.372 -3.402 -5.633 1.00 2.36 H new ATOM 0 HZ PHE A 115 1.443 -5.039 -3.763 1.00 1.15 H new ATOM 1848 N ALA A 116 -0.992 -5.858 -9.046 1.00 0.66 N ATOM 1849 CA ALA A 116 -2.159 -5.236 -8.450 1.00 0.71 C ATOM 1850 C ALA A 116 -3.446 -5.925 -8.900 1.00 0.78 C ATOM 1851 O ALA A 116 -4.397 -5.992 -8.122 1.00 0.90 O ATOM 1852 CB ALA A 116 -2.162 -3.738 -8.759 1.00 0.88 C ATOM 0 H ALA A 116 -0.540 -5.272 -9.748 1.00 0.66 H new ATOM 0 HA ALA A 116 -2.111 -5.355 -7.368 1.00 0.71 H new ATOM 0 HB1 ALA A 116 -3.041 -3.275 -8.309 1.00 0.88 H new ATOM 0 HB2 ALA A 116 -1.261 -3.280 -8.350 1.00 0.88 H new ATOM 0 HB3 ALA A 116 -2.186 -3.589 -9.839 1.00 0.88 H new ATOM 1858 N LEU A 117 -3.486 -6.461 -10.121 1.00 0.81 N ATOM 1859 CA LEU A 117 -4.605 -7.232 -10.637 1.00 0.98 C ATOM 1860 C LEU A 117 -4.757 -8.479 -9.779 1.00 1.09 C ATOM 1861 O LEU A 117 -5.780 -8.688 -9.133 1.00 1.19 O ATOM 1862 CB LEU A 117 -4.366 -7.602 -12.107 1.00 1.10 C ATOM 1863 CG LEU A 117 -5.629 -7.706 -12.976 1.00 1.25 C ATOM 1864 CD1 LEU A 117 -6.673 -8.639 -12.354 1.00 1.52 C ATOM 1865 CD2 LEU A 117 -6.240 -6.334 -13.279 1.00 1.35 C ATOM 0 H LEU A 117 -2.721 -6.366 -10.789 1.00 0.81 H new ATOM 0 HA LEU A 117 -5.521 -6.643 -10.594 1.00 0.98 H new ATOM 0 HB2 LEU A 117 -3.703 -6.858 -12.548 1.00 1.10 H new ATOM 0 HB3 LEU A 117 -3.842 -8.557 -12.143 1.00 1.10 H new ATOM 0 HG LEU A 117 -5.312 -8.140 -13.924 1.00 1.25 H new ATOM 0 HD11 LEU A 117 -7.550 -8.685 -12.999 1.00 1.52 H new ATOM 0 HD12 LEU A 117 -6.250 -9.638 -12.245 1.00 1.52 H new ATOM 0 HD13 LEU A 117 -6.963 -8.259 -11.374 1.00 1.52 H new ATOM 0 HD21 LEU A 117 -7.130 -6.460 -13.896 1.00 1.35 H new ATOM 0 HD22 LEU A 117 -6.512 -5.843 -12.345 1.00 1.35 H new ATOM 0 HD23 LEU A 117 -5.513 -5.722 -13.812 1.00 1.35 H new ATOM 1877 N LYS A 118 -3.697 -9.284 -9.779 1.00 1.12 N ATOM 1878 CA LYS A 118 -3.577 -10.512 -9.018 1.00 1.28 C ATOM 1879 C LYS A 118 -3.950 -10.251 -7.556 1.00 1.23 C ATOM 1880 O LYS A 118 -4.838 -10.892 -7.001 1.00 1.43 O ATOM 1881 CB LYS A 118 -2.123 -10.991 -9.137 1.00 1.35 C ATOM 1882 CG LYS A 118 -1.748 -11.514 -10.535 1.00 2.02 C ATOM 1883 CD LYS A 118 -2.078 -13.008 -10.682 1.00 2.12 C ATOM 1884 CE LYS A 118 -1.170 -13.730 -11.691 1.00 2.94 C ATOM 1885 NZ LYS A 118 -1.139 -13.091 -13.019 1.00 3.97 N ATOM 0 H LYS A 118 -2.866 -9.084 -10.335 1.00 1.12 H new ATOM 0 HA LYS A 118 -4.251 -11.278 -9.401 1.00 1.28 H new ATOM 0 HB2 LYS A 118 -1.458 -10.167 -8.878 1.00 1.35 H new ATOM 0 HB3 LYS A 118 -1.951 -11.781 -8.407 1.00 1.35 H new ATOM 0 HG2 LYS A 118 -2.285 -10.945 -11.294 1.00 2.02 H new ATOM 0 HG3 LYS A 118 -0.684 -11.356 -10.711 1.00 2.02 H new ATOM 0 HD2 LYS A 118 -1.987 -13.491 -9.709 1.00 2.12 H new ATOM 0 HD3 LYS A 118 -3.117 -13.115 -10.995 1.00 2.12 H new ATOM 0 HE2 LYS A 118 -0.156 -13.769 -11.292 1.00 2.94 H new ATOM 0 HE3 LYS A 118 -1.509 -14.760 -11.800 1.00 2.94 H new ATOM 0 HZ1 LYS A 118 -1.311 -13.807 -13.753 1.00 3.97 H new ATOM 0 HZ2 LYS A 118 -1.876 -12.359 -13.069 1.00 3.97 H new ATOM 0 HZ3 LYS A 118 -0.207 -12.655 -13.173 1.00 3.97 H new ATOM 1899 N SER A 119 -3.233 -9.315 -6.939 1.00 1.04 N ATOM 1900 CA SER A 119 -3.294 -9.068 -5.509 1.00 1.08 C ATOM 1901 C SER A 119 -4.574 -8.368 -5.060 1.00 1.07 C ATOM 1902 O SER A 119 -5.171 -8.770 -4.066 1.00 1.18 O ATOM 1903 CB SER A 119 -2.060 -8.282 -5.073 1.00 1.02 C ATOM 1904 OG SER A 119 -0.891 -9.003 -5.424 1.00 1.79 O ATOM 0 H SER A 119 -2.585 -8.700 -7.430 1.00 1.04 H new ATOM 0 HA SER A 119 -3.308 -10.041 -5.019 1.00 1.08 H new ATOM 0 HB2 SER A 119 -2.053 -7.302 -5.550 1.00 1.02 H new ATOM 0 HB3 SER A 119 -2.086 -8.112 -3.997 1.00 1.02 H new ATOM 0 HG SER A 119 -0.646 -8.797 -6.350 1.00 1.79 H new ATOM 1910 N PHE A 120 -4.943 -7.274 -5.731 1.00 0.97 N ATOM 1911 CA PHE A 120 -5.987 -6.354 -5.275 1.00 1.03 C ATOM 1912 C PHE A 120 -7.189 -6.241 -6.214 1.00 1.07 C ATOM 1913 O PHE A 120 -8.278 -5.991 -5.704 1.00 1.23 O ATOM 1914 CB PHE A 120 -5.383 -4.979 -4.968 1.00 1.05 C ATOM 1915 CG PHE A 120 -4.290 -5.052 -3.921 1.00 1.13 C ATOM 1916 CD1 PHE A 120 -4.613 -5.389 -2.592 1.00 2.00 C ATOM 1917 CD2 PHE A 120 -2.942 -4.976 -4.309 1.00 2.61 C ATOM 1918 CE1 PHE A 120 -3.592 -5.658 -1.665 1.00 2.06 C ATOM 1919 CE2 PHE A 120 -1.926 -5.267 -3.387 1.00 2.74 C ATOM 1920 CZ PHE A 120 -2.247 -5.587 -2.058 1.00 1.51 C ATOM 0 H PHE A 120 -4.520 -6.999 -6.617 1.00 0.97 H new ATOM 0 HA PHE A 120 -6.392 -6.786 -4.360 1.00 1.03 H new ATOM 0 HB2 PHE A 120 -4.977 -4.550 -5.884 1.00 1.05 H new ATOM 0 HB3 PHE A 120 -6.170 -4.308 -4.623 1.00 1.05 H new ATOM 0 HD1 PHE A 120 -5.647 -5.441 -2.285 1.00 2.00 H new ATOM 0 HD2 PHE A 120 -2.687 -4.693 -5.320 1.00 2.61 H new ATOM 0 HE1 PHE A 120 -3.843 -5.920 -0.648 1.00 2.06 H new ATOM 0 HE2 PHE A 120 -0.893 -5.245 -3.700 1.00 2.74 H new ATOM 0 HZ PHE A 120 -1.462 -5.778 -1.341 1.00 1.51 H new ATOM 1930 N LYS A 121 -7.005 -6.462 -7.523 1.00 1.30 N ATOM 1931 CA LYS A 121 -7.881 -6.217 -8.680 1.00 1.89 C ATOM 1932 C LYS A 121 -7.838 -4.788 -9.250 1.00 2.29 C ATOM 1933 O LYS A 121 -8.818 -4.332 -9.833 1.00 3.12 O ATOM 1934 CB LYS A 121 -9.296 -6.842 -8.589 1.00 2.22 C ATOM 1935 CG LYS A 121 -10.361 -6.306 -7.609 1.00 2.54 C ATOM 1936 CD LYS A 121 -10.401 -4.779 -7.431 1.00 2.35 C ATOM 1937 CE LYS A 121 -11.380 -4.380 -6.322 1.00 2.56 C ATOM 1938 NZ LYS A 121 -11.441 -2.914 -6.165 1.00 2.81 N ATOM 0 H LYS A 121 -6.124 -6.870 -7.836 1.00 1.30 H new ATOM 0 HA LYS A 121 -7.403 -6.808 -9.462 1.00 1.89 H new ATOM 0 HB2 LYS A 121 -9.730 -6.786 -9.587 1.00 2.22 H new ATOM 0 HB3 LYS A 121 -9.160 -7.899 -8.359 1.00 2.22 H new ATOM 0 HG2 LYS A 121 -11.341 -6.639 -7.950 1.00 2.54 H new ATOM 0 HG3 LYS A 121 -10.192 -6.762 -6.634 1.00 2.54 H new ATOM 0 HD2 LYS A 121 -9.404 -4.411 -7.190 1.00 2.35 H new ATOM 0 HD3 LYS A 121 -10.696 -4.308 -8.368 1.00 2.35 H new ATOM 0 HE2 LYS A 121 -12.373 -4.765 -6.554 1.00 2.56 H new ATOM 0 HE3 LYS A 121 -11.073 -4.837 -5.381 1.00 2.56 H new ATOM 0 HZ1 LYS A 121 -12.112 -2.674 -5.407 1.00 2.81 H new ATOM 0 HZ2 LYS A 121 -10.497 -2.552 -5.920 1.00 2.81 H new ATOM 0 HZ3 LYS A 121 -11.757 -2.482 -7.057 1.00 2.81 H new ATOM 1952 N ALA A 122 -6.697 -4.097 -9.155 1.00 1.92 N ATOM 1953 CA ALA A 122 -6.511 -2.748 -9.691 1.00 2.39 C ATOM 1954 C ALA A 122 -5.303 -2.694 -10.631 1.00 2.23 C ATOM 1955 O ALA A 122 -4.531 -3.644 -10.689 1.00 2.88 O ATOM 1956 CB ALA A 122 -6.332 -1.775 -8.526 1.00 2.56 C ATOM 0 H ALA A 122 -5.865 -4.467 -8.696 1.00 1.92 H new ATOM 0 HA ALA A 122 -7.389 -2.466 -10.272 1.00 2.39 H new ATOM 0 HB1 ALA A 122 -6.192 -0.766 -8.913 1.00 2.56 H new ATOM 0 HB2 ALA A 122 -7.218 -1.801 -7.891 1.00 2.56 H new ATOM 0 HB3 ALA A 122 -5.458 -2.064 -7.942 1.00 2.56 H new ATOM 1962 N ILE A 123 -5.143 -1.571 -11.341 1.00 1.92 N ATOM 1963 CA ILE A 123 -3.986 -1.221 -12.167 1.00 1.67 C ATOM 1964 C ILE A 123 -3.763 0.287 -12.094 1.00 0.96 C ATOM 1965 O ILE A 123 -4.528 0.996 -11.440 1.00 1.90 O ATOM 1966 CB ILE A 123 -4.165 -1.635 -13.643 1.00 2.95 C ATOM 1967 CG1 ILE A 123 -5.346 -0.887 -14.288 1.00 4.52 C ATOM 1968 CG2 ILE A 123 -4.409 -3.144 -13.761 1.00 3.94 C ATOM 1969 CD1 ILE A 123 -4.897 0.180 -15.285 1.00 5.48 C ATOM 0 H ILE A 123 -5.858 -0.843 -11.354 1.00 1.92 H new ATOM 0 HA ILE A 123 -3.126 -1.765 -11.777 1.00 1.67 H new ATOM 0 HB ILE A 123 -3.245 -1.374 -14.166 1.00 2.95 H new ATOM 0 HG12 ILE A 123 -5.991 -1.604 -14.796 1.00 4.52 H new ATOM 0 HG13 ILE A 123 -5.944 -0.419 -13.506 1.00 4.52 H new ATOM 0 HG21 ILE A 123 -4.532 -3.412 -14.810 1.00 3.94 H new ATOM 0 HG22 ILE A 123 -3.558 -3.684 -13.346 1.00 3.94 H new ATOM 0 HG23 ILE A 123 -5.311 -3.411 -13.210 1.00 3.94 H new ATOM 0 HD11 ILE A 123 -5.772 0.674 -15.708 1.00 5.48 H new ATOM 0 HD12 ILE A 123 -4.276 0.916 -14.775 1.00 5.48 H new ATOM 0 HD13 ILE A 123 -4.323 -0.288 -16.085 1.00 5.48 H new ATOM 2201 N SER A 138 -6.474 3.263 0.739 1.00 1.31 N ATOM 2202 CA SER A 138 -6.945 2.514 1.886 1.00 1.04 C ATOM 2203 C SER A 138 -5.805 1.724 2.529 1.00 0.85 C ATOM 2204 O SER A 138 -4.804 1.415 1.886 1.00 1.00 O ATOM 2205 CB SER A 138 -8.060 1.567 1.424 1.00 1.14 C ATOM 2206 OG SER A 138 -8.782 2.145 0.346 1.00 1.60 O ATOM 0 HA SER A 138 -7.330 3.204 2.637 1.00 1.04 H new ATOM 0 HB2 SER A 138 -7.632 0.614 1.114 1.00 1.14 H new ATOM 0 HB3 SER A 138 -8.736 1.358 2.253 1.00 1.14 H new ATOM 0 HG SER A 138 -8.277 2.902 -0.017 1.00 1.60 H new ATOM 2212 N PHE A 139 -5.969 1.399 3.810 1.00 0.67 N ATOM 2213 CA PHE A 139 -4.984 0.664 4.583 1.00 0.55 C ATOM 2214 C PHE A 139 -5.185 -0.830 4.364 1.00 0.46 C ATOM 2215 O PHE A 139 -6.315 -1.280 4.182 1.00 0.49 O ATOM 2216 CB PHE A 139 -5.155 0.979 6.071 1.00 0.71 C ATOM 2217 CG PHE A 139 -3.892 1.431 6.771 1.00 0.59 C ATOM 2218 CD1 PHE A 139 -2.841 0.521 6.986 1.00 1.95 C ATOM 2219 CD2 PHE A 139 -3.758 2.767 7.191 1.00 1.57 C ATOM 2220 CE1 PHE A 139 -1.654 0.954 7.599 1.00 2.29 C ATOM 2221 CE2 PHE A 139 -2.587 3.186 7.843 1.00 1.48 C ATOM 2222 CZ PHE A 139 -1.534 2.281 8.041 1.00 1.24 C ATOM 0 H PHE A 139 -6.803 1.645 4.343 1.00 0.67 H new ATOM 0 HA PHE A 139 -3.984 0.955 4.262 1.00 0.55 H new ATOM 0 HB2 PHE A 139 -5.912 1.756 6.179 1.00 0.71 H new ATOM 0 HB3 PHE A 139 -5.535 0.091 6.575 1.00 0.71 H new ATOM 0 HD1 PHE A 139 -2.947 -0.509 6.680 1.00 1.95 H new ATOM 0 HD2 PHE A 139 -4.557 3.471 7.012 1.00 1.57 H new ATOM 0 HE1 PHE A 139 -0.833 0.265 7.731 1.00 2.29 H new ATOM 0 HE2 PHE A 139 -2.497 4.204 8.192 1.00 1.48 H new ATOM 0 HZ PHE A 139 -0.630 2.605 8.534 1.00 1.24 H new ATOM 2232 N TYR A 140 -4.090 -1.582 4.443 1.00 0.51 N ATOM 2233 CA TYR A 140 -4.043 -3.033 4.329 1.00 0.57 C ATOM 2234 C TYR A 140 -3.135 -3.601 5.429 1.00 0.70 C ATOM 2235 O TYR A 140 -2.111 -3.002 5.759 1.00 1.23 O ATOM 2236 CB TYR A 140 -3.546 -3.404 2.924 1.00 0.70 C ATOM 2237 CG TYR A 140 -4.639 -3.502 1.880 1.00 0.76 C ATOM 2238 CD1 TYR A 140 -5.296 -2.354 1.401 1.00 1.71 C ATOM 2239 CD2 TYR A 140 -5.083 -4.771 1.481 1.00 2.12 C ATOM 2240 CE1 TYR A 140 -6.481 -2.489 0.657 1.00 1.84 C ATOM 2241 CE2 TYR A 140 -6.250 -4.909 0.716 1.00 2.42 C ATOM 2242 CZ TYR A 140 -6.996 -3.768 0.387 1.00 1.55 C ATOM 2243 OH TYR A 140 -8.282 -3.908 -0.028 1.00 2.14 O ATOM 0 H TYR A 140 -3.168 -1.174 4.596 1.00 0.51 H new ATOM 0 HA TYR A 140 -5.034 -3.465 4.464 1.00 0.57 H new ATOM 0 HB2 TYR A 140 -2.818 -2.660 2.601 1.00 0.70 H new ATOM 0 HB3 TYR A 140 -3.024 -4.359 2.977 1.00 0.70 H new ATOM 0 HD1 TYR A 140 -4.892 -1.373 1.604 1.00 1.71 H new ATOM 0 HD2 TYR A 140 -4.522 -5.649 1.765 1.00 2.12 H new ATOM 0 HE1 TYR A 140 -6.995 -1.611 0.294 1.00 1.84 H new ATOM 0 HE2 TYR A 140 -6.571 -5.885 0.383 1.00 2.42 H new ATOM 0 HH TYR A 140 -8.888 -3.761 0.728 1.00 2.14 H new ATOM 2253 N LEU A 141 -3.491 -4.757 6.001 1.00 0.44 N ATOM 2254 CA LEU A 141 -2.641 -5.544 6.892 1.00 0.43 C ATOM 2255 C LEU A 141 -2.499 -6.926 6.282 1.00 0.41 C ATOM 2256 O LEU A 141 -3.458 -7.703 6.230 1.00 0.42 O ATOM 2257 CB LEU A 141 -3.236 -5.588 8.305 1.00 0.44 C ATOM 2258 CG LEU A 141 -2.490 -6.525 9.284 1.00 0.42 C ATOM 2259 CD1 LEU A 141 -2.617 -5.939 10.697 1.00 0.76 C ATOM 2260 CD2 LEU A 141 -3.085 -7.943 9.312 1.00 0.64 C ATOM 0 H LEU A 141 -4.407 -5.180 5.850 1.00 0.44 H new ATOM 0 HA LEU A 141 -1.654 -5.092 6.994 1.00 0.43 H new ATOM 0 HB2 LEU A 141 -3.237 -4.579 8.717 1.00 0.44 H new ATOM 0 HB3 LEU A 141 -4.276 -5.906 8.238 1.00 0.44 H new ATOM 0 HG LEU A 141 -1.454 -6.596 8.951 1.00 0.42 H new ATOM 0 HD11 LEU A 141 -2.098 -6.584 11.406 1.00 0.76 H new ATOM 0 HD12 LEU A 141 -2.173 -4.944 10.719 1.00 0.76 H new ATOM 0 HD13 LEU A 141 -3.670 -5.873 10.970 1.00 0.76 H new ATOM 0 HD21 LEU A 141 -2.524 -8.559 10.015 1.00 0.64 H new ATOM 0 HD22 LEU A 141 -4.128 -7.894 9.625 1.00 0.64 H new ATOM 0 HD23 LEU A 141 -3.025 -8.382 8.316 1.00 0.64 H new ATOM 2272 N VAL A 142 -1.293 -7.215 5.793 1.00 0.39 N ATOM 2273 CA VAL A 142 -1.027 -8.428 5.064 1.00 0.40 C ATOM 2274 C VAL A 142 -0.545 -9.482 6.052 1.00 0.42 C ATOM 2275 O VAL A 142 0.399 -9.259 6.809 1.00 0.48 O ATOM 2276 CB VAL A 142 -0.031 -8.170 3.935 1.00 0.43 C ATOM 2277 CG1 VAL A 142 -0.024 -9.404 3.022 1.00 0.50 C ATOM 2278 CG2 VAL A 142 -0.394 -6.913 3.132 1.00 0.47 C ATOM 0 H VAL A 142 -0.481 -6.606 5.898 1.00 0.39 H new ATOM 0 HA VAL A 142 -1.933 -8.797 4.583 1.00 0.40 H new ATOM 0 HB VAL A 142 0.958 -7.998 4.359 1.00 0.43 H new ATOM 0 HG11 VAL A 142 0.680 -9.248 2.205 1.00 0.50 H new ATOM 0 HG12 VAL A 142 0.276 -10.280 3.597 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -1.023 -9.561 2.615 1.00 0.50 H new ATOM 0 HG21 VAL A 142 0.338 -6.764 2.339 1.00 0.47 H new ATOM 0 HG22 VAL A 142 -1.384 -7.035 2.693 1.00 0.47 H new ATOM 0 HG23 VAL A 142 -0.394 -6.046 3.793 1.00 0.47 H new ATOM 2288 N GLY A 143 -1.229 -10.621 6.069 1.00 0.45 N ATOM 2289 CA GLY A 143 -0.925 -11.719 6.955 1.00 0.50 C ATOM 2290 C GLY A 143 0.397 -12.394 6.599 1.00 0.47 C ATOM 2291 O GLY A 143 0.984 -12.141 5.543 1.00 0.55 O ATOM 0 H GLY A 143 -2.022 -10.802 5.454 1.00 0.45 H new ATOM 0 HA2 GLY A 143 -0.881 -11.355 7.981 1.00 0.50 H new ATOM 0 HA3 GLY A 143 -1.730 -12.453 6.912 1.00 0.50 H new ATOM 2295 N PRO A 144 0.839 -13.304 7.474 1.00 0.50 N ATOM 2296 CA PRO A 144 2.136 -13.940 7.420 1.00 0.56 C ATOM 2297 C PRO A 144 2.274 -14.773 6.150 1.00 0.61 C ATOM 2298 O PRO A 144 3.382 -14.944 5.658 1.00 0.99 O ATOM 2299 CB PRO A 144 2.213 -14.787 8.693 1.00 0.67 C ATOM 2300 CG PRO A 144 0.758 -15.157 8.966 1.00 0.67 C ATOM 2301 CD PRO A 144 0.008 -13.911 8.493 1.00 0.59 C ATOM 0 HA PRO A 144 2.957 -13.224 7.381 1.00 0.56 H new ATOM 0 HB2 PRO A 144 2.832 -15.673 8.548 1.00 0.67 H new ATOM 0 HB3 PRO A 144 2.647 -14.227 9.522 1.00 0.67 H new ATOM 0 HG2 PRO A 144 0.455 -16.047 8.415 1.00 0.67 H new ATOM 0 HG3 PRO A 144 0.582 -15.361 10.022 1.00 0.67 H new ATOM 0 HD2 PRO A 144 -0.971 -14.174 8.092 1.00 0.59 H new ATOM 0 HD3 PRO A 144 -0.161 -13.221 9.320 1.00 0.59 H new ATOM 2309 N ASP A 145 1.163 -15.281 5.612 1.00 0.66 N ATOM 2310 CA ASP A 145 1.115 -16.057 4.383 1.00 0.65 C ATOM 2311 C ASP A 145 1.323 -15.170 3.150 1.00 0.67 C ATOM 2312 O ASP A 145 1.748 -15.666 2.109 1.00 1.24 O ATOM 2313 CB ASP A 145 -0.246 -16.774 4.242 1.00 0.98 C ATOM 2314 CG ASP A 145 -0.945 -17.136 5.544 1.00 1.83 C ATOM 2315 OD1 ASP A 145 -1.181 -16.208 6.348 1.00 2.94 O ATOM 2316 OD2 ASP A 145 -1.358 -18.305 5.693 1.00 2.35 O ATOM 0 H ASP A 145 0.245 -15.156 6.038 1.00 0.66 H new ATOM 0 HA ASP A 145 1.920 -16.789 4.440 1.00 0.65 H new ATOM 0 HB2 ASP A 145 -0.912 -16.137 3.660 1.00 0.98 H new ATOM 0 HB3 ASP A 145 -0.096 -17.688 3.667 1.00 0.98 H new ATOM 2321 N GLY A 146 0.951 -13.887 3.238 1.00 0.58 N ATOM 2322 CA GLY A 146 0.631 -13.052 2.087 1.00 0.63 C ATOM 2323 C GLY A 146 -0.878 -12.790 1.968 1.00 0.60 C ATOM 2324 O GLY A 146 -1.286 -11.963 1.153 1.00 0.78 O ATOM 0 H GLY A 146 0.864 -13.397 4.129 1.00 0.58 H new ATOM 0 HA2 GLY A 146 1.158 -12.102 2.171 1.00 0.63 H new ATOM 0 HA3 GLY A 146 0.988 -13.536 1.178 1.00 0.63 H new ATOM 2328 N LYS A 147 -1.712 -13.472 2.770 1.00 0.66 N ATOM 2329 CA LYS A 147 -3.157 -13.264 2.779 1.00 0.68 C ATOM 2330 C LYS A 147 -3.530 -12.046 3.613 1.00 0.60 C ATOM 2331 O LYS A 147 -3.192 -11.986 4.791 1.00 0.60 O ATOM 2332 CB LYS A 147 -3.928 -14.526 3.168 1.00 0.80 C ATOM 2333 CG LYS A 147 -3.850 -14.858 4.654 1.00 0.84 C ATOM 2334 CD LYS A 147 -4.210 -16.330 4.889 1.00 1.07 C ATOM 2335 CE LYS A 147 -4.232 -16.652 6.391 1.00 1.64 C ATOM 2336 NZ LYS A 147 -3.812 -18.041 6.660 1.00 2.10 N ATOM 0 H LYS A 147 -1.396 -14.183 3.429 1.00 0.66 H new ATOM 0 HA LYS A 147 -3.466 -13.048 1.756 1.00 0.68 H new ATOM 0 HB2 LYS A 147 -4.974 -14.403 2.887 1.00 0.80 H new ATOM 0 HB3 LYS A 147 -3.541 -15.369 2.596 1.00 0.80 H new ATOM 0 HG2 LYS A 147 -2.845 -14.658 5.026 1.00 0.84 H new ATOM 0 HG3 LYS A 147 -4.531 -14.216 5.213 1.00 0.84 H new ATOM 0 HD2 LYS A 147 -5.185 -16.545 4.452 1.00 1.07 H new ATOM 0 HD3 LYS A 147 -3.486 -16.971 4.385 1.00 1.07 H new ATOM 0 HE2 LYS A 147 -3.572 -15.964 6.920 1.00 1.64 H new ATOM 0 HE3 LYS A 147 -5.237 -16.494 6.782 1.00 1.64 H new ATOM 0 HZ1 LYS A 147 -3.435 -18.108 7.627 1.00 2.10 H new ATOM 0 HZ2 LYS A 147 -4.630 -18.676 6.563 1.00 2.10 H new ATOM 0 HZ3 LYS A 147 -3.075 -18.319 5.981 1.00 2.10 H new ATOM 2350 N VAL A 148 -4.253 -11.086 3.042 1.00 0.58 N ATOM 2351 CA VAL A 148 -4.694 -9.932 3.808 1.00 0.57 C ATOM 2352 C VAL A 148 -5.831 -10.395 4.704 1.00 0.62 C ATOM 2353 O VAL A 148 -6.750 -11.065 4.229 1.00 0.67 O ATOM 2354 CB VAL A 148 -5.156 -8.784 2.902 1.00 0.66 C ATOM 2355 CG1 VAL A 148 -5.392 -7.521 3.734 1.00 1.08 C ATOM 2356 CG2 VAL A 148 -4.131 -8.465 1.810 1.00 1.05 C ATOM 0 H VAL A 148 -4.541 -11.086 2.064 1.00 0.58 H new ATOM 0 HA VAL A 148 -3.863 -9.542 4.396 1.00 0.57 H new ATOM 0 HB VAL A 148 -6.081 -9.107 2.425 1.00 0.66 H new ATOM 0 HG11 VAL A 148 -5.720 -6.712 3.082 1.00 1.08 H new ATOM 0 HG12 VAL A 148 -6.159 -7.717 4.483 1.00 1.08 H new ATOM 0 HG13 VAL A 148 -4.465 -7.234 4.231 1.00 1.08 H new ATOM 0 HG21 VAL A 148 -4.500 -7.646 1.193 1.00 1.05 H new ATOM 0 HG22 VAL A 148 -3.187 -8.175 2.271 1.00 1.05 H new ATOM 0 HG23 VAL A 148 -3.975 -9.347 1.188 1.00 1.05 H new ATOM 2366 N LEU A 149 -5.717 -10.067 5.993 1.00 0.62 N ATOM 2367 CA LEU A 149 -6.648 -10.466 7.041 1.00 0.64 C ATOM 2368 C LEU A 149 -7.499 -9.287 7.494 1.00 0.61 C ATOM 2369 O LEU A 149 -8.627 -9.493 7.938 1.00 0.64 O ATOM 2370 CB LEU A 149 -5.863 -11.033 8.224 1.00 0.66 C ATOM 2371 CG LEU A 149 -5.282 -12.412 7.882 1.00 0.68 C ATOM 2372 CD1 LEU A 149 -4.006 -12.629 8.698 1.00 1.30 C ATOM 2373 CD2 LEU A 149 -6.291 -13.521 8.202 1.00 0.88 C ATOM 0 H LEU A 149 -4.947 -9.497 6.343 1.00 0.62 H new ATOM 0 HA LEU A 149 -7.317 -11.229 6.644 1.00 0.64 H new ATOM 0 HB2 LEU A 149 -5.057 -10.350 8.492 1.00 0.66 H new ATOM 0 HB3 LEU A 149 -6.515 -11.114 9.094 1.00 0.66 H new ATOM 0 HG LEU A 149 -5.058 -12.449 6.816 1.00 0.68 H new ATOM 0 HD11 LEU A 149 -3.585 -13.606 8.462 1.00 1.30 H new ATOM 0 HD12 LEU A 149 -3.281 -11.853 8.453 1.00 1.30 H new ATOM 0 HD13 LEU A 149 -4.242 -12.582 9.761 1.00 1.30 H new ATOM 0 HD21 LEU A 149 -5.858 -14.490 7.952 1.00 0.88 H new ATOM 0 HD22 LEU A 149 -6.535 -13.496 9.264 1.00 0.88 H new ATOM 0 HD23 LEU A 149 -7.198 -13.367 7.618 1.00 0.88 H new ATOM 2385 N LYS A 150 -6.951 -8.072 7.405 1.00 0.60 N ATOM 2386 CA LYS A 150 -7.651 -6.839 7.694 1.00 0.57 C ATOM 2387 C LYS A 150 -7.207 -5.747 6.724 1.00 0.61 C ATOM 2388 O LYS A 150 -6.068 -5.760 6.256 1.00 0.69 O ATOM 2389 CB LYS A 150 -7.342 -6.401 9.121 1.00 0.64 C ATOM 2390 CG LYS A 150 -8.050 -7.269 10.164 1.00 0.80 C ATOM 2391 CD LYS A 150 -7.928 -6.628 11.550 1.00 1.58 C ATOM 2392 CE LYS A 150 -8.949 -5.490 11.708 1.00 2.29 C ATOM 2393 NZ LYS A 150 -8.684 -4.689 12.916 1.00 3.76 N ATOM 0 H LYS A 150 -5.982 -7.926 7.122 1.00 0.60 H new ATOM 0 HA LYS A 150 -8.723 -7.004 7.583 1.00 0.57 H new ATOM 0 HB2 LYS A 150 -6.266 -6.444 9.286 1.00 0.64 H new ATOM 0 HB3 LYS A 150 -7.643 -5.362 9.252 1.00 0.64 H new ATOM 0 HG2 LYS A 150 -9.101 -7.385 9.899 1.00 0.80 H new ATOM 0 HG3 LYS A 150 -7.612 -8.267 10.176 1.00 0.80 H new ATOM 0 HD2 LYS A 150 -8.091 -7.381 12.321 1.00 1.58 H new ATOM 0 HD3 LYS A 150 -6.919 -6.241 11.691 1.00 1.58 H new ATOM 0 HE2 LYS A 150 -8.916 -4.846 10.829 1.00 2.29 H new ATOM 0 HE3 LYS A 150 -9.955 -5.907 11.760 1.00 2.29 H new ATOM 0 HZ1 LYS A 150 -9.576 -4.290 13.270 1.00 3.76 H new ATOM 0 HZ2 LYS A 150 -8.261 -5.294 13.648 1.00 3.76 H new ATOM 0 HZ3 LYS A 150 -8.027 -3.917 12.683 1.00 3.76 H new ATOM 2407 N ASP A 151 -8.106 -4.795 6.508 1.00 0.70 N ATOM 2408 CA ASP A 151 -7.907 -3.521 5.841 1.00 0.80 C ATOM 2409 C ASP A 151 -8.049 -2.441 6.919 1.00 1.30 C ATOM 2410 O ASP A 151 -8.106 -2.765 8.104 1.00 2.12 O ATOM 2411 CB ASP A 151 -8.902 -3.351 4.682 1.00 0.91 C ATOM 2412 CG ASP A 151 -8.578 -4.159 3.430 1.00 1.09 C ATOM 2413 OD1 ASP A 151 -7.670 -5.010 3.482 1.00 2.29 O ATOM 2414 OD2 ASP A 151 -9.241 -3.910 2.397 1.00 2.07 O ATOM 0 H ASP A 151 -9.070 -4.906 6.822 1.00 0.70 H new ATOM 0 HA ASP A 151 -6.921 -3.451 5.382 1.00 0.80 H new ATOM 0 HB2 ASP A 151 -9.895 -3.633 5.031 1.00 0.91 H new ATOM 0 HB3 ASP A 151 -8.947 -2.296 4.413 1.00 0.91 H new ATOM 2419 N TYR A 152 -7.987 -1.163 6.537 1.00 0.97 N ATOM 2420 CA TYR A 152 -8.598 -0.077 7.289 1.00 0.97 C ATOM 2421 C TYR A 152 -8.862 1.051 6.300 1.00 0.78 C ATOM 2422 O TYR A 152 -8.364 1.049 5.175 1.00 0.80 O ATOM 2423 CB TYR A 152 -7.777 0.480 8.471 1.00 1.18 C ATOM 2424 CG TYR A 152 -7.358 -0.488 9.554 1.00 1.97 C ATOM 2425 CD1 TYR A 152 -8.286 -0.862 10.542 1.00 2.42 C ATOM 2426 CD2 TYR A 152 -6.053 -1.019 9.581 1.00 3.69 C ATOM 2427 CE1 TYR A 152 -7.919 -1.777 11.540 1.00 3.80 C ATOM 2428 CE2 TYR A 152 -5.700 -1.969 10.555 1.00 5.02 C ATOM 2429 CZ TYR A 152 -6.646 -2.368 11.514 1.00 4.92 C ATOM 2430 OH TYR A 152 -6.351 -3.351 12.417 1.00 6.47 O ATOM 0 H TYR A 152 -7.507 -0.856 5.691 1.00 0.97 H new ATOM 0 HA TYR A 152 -9.496 -0.487 7.751 1.00 0.97 H new ATOM 0 HB2 TYR A 152 -6.876 0.940 8.066 1.00 1.18 H new ATOM 0 HB3 TYR A 152 -8.359 1.275 8.938 1.00 1.18 H new ATOM 0 HD1 TYR A 152 -9.282 -0.445 10.533 1.00 2.42 H new ATOM 0 HD2 TYR A 152 -5.324 -0.696 8.853 1.00 3.69 H new ATOM 0 HE1 TYR A 152 -8.615 -2.026 12.327 1.00 3.80 H new ATOM 0 HE2 TYR A 152 -4.706 -2.390 10.566 1.00 5.02 H new ATOM 0 HH TYR A 152 -5.433 -3.663 12.273 1.00 6.47 H new ATOM 2440 N ASN A 153 -9.607 2.054 6.750 1.00 0.96 N ATOM 2441 CA ASN A 153 -10.096 3.121 5.913 1.00 1.16 C ATOM 2442 C ASN A 153 -8.983 3.953 5.292 1.00 1.50 C ATOM 2443 O ASN A 153 -9.064 4.335 4.129 1.00 2.87 O ATOM 2444 CB ASN A 153 -11.061 3.968 6.738 1.00 2.05 C ATOM 2445 CG ASN A 153 -10.352 5.030 7.568 1.00 3.82 C ATOM 2446 OD1 ASN A 153 -9.545 4.711 8.437 1.00 5.37 O ATOM 2447 ND2 ASN A 153 -10.598 6.294 7.254 1.00 3.88 N ATOM 0 H ASN A 153 -9.888 2.142 7.727 1.00 0.96 H new ATOM 0 HA ASN A 153 -10.620 2.689 5.060 1.00 1.16 H new ATOM 0 HB2 ASN A 153 -11.775 4.451 6.071 1.00 2.05 H new ATOM 0 HB3 ASN A 153 -11.633 3.318 7.400 1.00 2.05 H new ATOM 0 HD21 ASN A 153 -10.109 7.045 7.741 1.00 3.88 H new ATOM 0 HD22 ASN A 153 -11.276 6.516 6.525 1.00 3.88 H new ATOM 2520 N PRO A 159 -14.135 1.521 5.950 1.00 1.11 N ATOM 2521 CA PRO A 159 -13.034 0.708 6.457 1.00 1.04 C ATOM 2522 C PRO A 159 -12.361 -0.165 5.408 1.00 1.09 C ATOM 2523 O PRO A 159 -11.161 -0.395 5.488 1.00 1.54 O ATOM 2524 CB PRO A 159 -13.576 -0.106 7.630 1.00 1.14 C ATOM 2525 CG PRO A 159 -15.082 -0.139 7.371 1.00 1.08 C ATOM 2526 CD PRO A 159 -15.368 1.174 6.637 1.00 1.13 C ATOM 0 HA PRO A 159 -12.231 1.370 6.781 1.00 1.04 H new ATOM 0 HB2 PRO A 159 -13.150 -1.109 7.654 1.00 1.14 H new ATOM 0 HB3 PRO A 159 -13.343 0.362 8.586 1.00 1.14 H new ATOM 0 HG2 PRO A 159 -15.363 -1.002 6.767 1.00 1.08 H new ATOM 0 HG3 PRO A 159 -15.645 -0.205 8.302 1.00 1.08 H new ATOM 0 HD2 PRO A 159 -16.189 1.056 5.930 1.00 1.13 H new ATOM 0 HD3 PRO A 159 -15.660 1.957 7.337 1.00 1.13 H new ATOM 2534 N TYR A 160 -13.120 -0.659 4.433 1.00 0.98 N ATOM 2535 CA TYR A 160 -12.644 -1.490 3.341 1.00 1.25 C ATOM 2536 C TYR A 160 -12.519 -2.943 3.801 1.00 1.42 C ATOM 2537 O TYR A 160 -12.786 -3.821 2.990 1.00 1.52 O ATOM 2538 CB TYR A 160 -11.359 -0.906 2.710 1.00 1.71 C ATOM 2539 CG TYR A 160 -11.352 -0.756 1.201 1.00 1.91 C ATOM 2540 CD1 TYR A 160 -12.301 0.078 0.581 1.00 2.06 C ATOM 2541 CD2 TYR A 160 -10.262 -1.236 0.453 1.00 3.33 C ATOM 2542 CE1 TYR A 160 -12.185 0.395 -0.783 1.00 2.36 C ATOM 2543 CE2 TYR A 160 -10.149 -0.925 -0.914 1.00 3.74 C ATOM 2544 CZ TYR A 160 -11.114 -0.115 -1.536 1.00 2.82 C ATOM 2545 OH TYR A 160 -10.972 0.207 -2.854 1.00 3.36 O ATOM 0 H TYR A 160 -14.123 -0.482 4.384 1.00 0.98 H new ATOM 0 HA TYR A 160 -13.377 -1.490 2.534 1.00 1.25 H new ATOM 0 HB2 TYR A 160 -11.178 0.074 3.151 1.00 1.71 H new ATOM 0 HB3 TYR A 160 -10.521 -1.542 2.993 1.00 1.71 H new ATOM 0 HD1 TYR A 160 -13.123 0.477 1.157 1.00 2.06 H new ATOM 0 HD2 TYR A 160 -9.509 -1.846 0.930 1.00 3.33 H new ATOM 0 HE1 TYR A 160 -12.920 1.031 -1.253 1.00 2.36 H new ATOM 0 HE2 TYR A 160 -9.318 -1.310 -1.487 1.00 3.74 H new ATOM 0 HH TYR A 160 -10.175 -0.235 -3.215 1.00 3.36 H new ATOM 2555 N ASP A 161 -12.398 -3.215 5.109 1.00 1.57 N ATOM 2556 CA ASP A 161 -12.529 -4.566 5.648 1.00 1.89 C ATOM 2557 C ASP A 161 -13.888 -5.135 5.270 1.00 1.57 C ATOM 2558 O ASP A 161 -13.986 -6.230 4.724 1.00 1.57 O ATOM 2559 CB ASP A 161 -12.416 -4.572 7.177 1.00 2.47 C ATOM 2560 CG ASP A 161 -11.134 -3.967 7.702 1.00 3.01 C ATOM 2561 OD1 ASP A 161 -11.051 -2.721 7.629 1.00 3.54 O ATOM 2562 OD2 ASP A 161 -10.270 -4.753 8.154 1.00 3.75 O ATOM 0 H ASP A 161 -12.207 -2.504 5.815 1.00 1.57 H new ATOM 0 HA ASP A 161 -11.724 -5.169 5.229 1.00 1.89 H new ATOM 0 HB2 ASP A 161 -13.261 -4.026 7.596 1.00 2.47 H new ATOM 0 HB3 ASP A 161 -12.493 -5.600 7.533 1.00 2.47 H new ATOM 2567 N ASP A 162 -14.936 -4.367 5.564 1.00 1.42 N ATOM 2568 CA ASP A 162 -16.318 -4.793 5.428 1.00 1.47 C ATOM 2569 C ASP A 162 -16.600 -5.009 3.942 1.00 1.12 C ATOM 2570 O ASP A 162 -16.751 -6.150 3.524 1.00 1.17 O ATOM 2571 CB ASP A 162 -17.266 -3.847 6.194 1.00 1.69 C ATOM 2572 CG ASP A 162 -18.241 -3.080 5.322 1.00 2.07 C ATOM 2573 OD1 ASP A 162 -17.758 -2.115 4.694 1.00 2.93 O ATOM 2574 OD2 ASP A 162 -19.420 -3.481 5.263 1.00 2.92 O ATOM 0 H ASP A 162 -14.840 -3.412 5.910 1.00 1.42 H new ATOM 0 HA ASP A 162 -16.509 -5.753 5.908 1.00 1.47 H new ATOM 0 HB2 ASP A 162 -17.832 -4.432 6.919 1.00 1.69 H new ATOM 0 HB3 ASP A 162 -16.666 -3.133 6.758 1.00 1.69 H new ATOM 2579 N ILE A 163 -16.547 -3.948 3.138 1.00 0.92 N ATOM 2580 CA ILE A 163 -16.638 -3.972 1.681 1.00 0.96 C ATOM 2581 C ILE A 163 -15.895 -5.175 1.076 1.00 0.81 C ATOM 2582 O ILE A 163 -16.490 -5.988 0.366 1.00 0.91 O ATOM 2583 CB ILE A 163 -16.106 -2.645 1.110 1.00 1.17 C ATOM 2584 CG1 ILE A 163 -16.811 -1.440 1.753 1.00 1.36 C ATOM 2585 CG2 ILE A 163 -16.306 -2.587 -0.412 1.00 1.62 C ATOM 2586 CD1 ILE A 163 -15.930 -0.774 2.819 1.00 1.09 C ATOM 0 H ILE A 163 -16.434 -3.003 3.504 1.00 0.92 H new ATOM 0 HA ILE A 163 -17.687 -4.085 1.406 1.00 0.96 H new ATOM 0 HB ILE A 163 -15.041 -2.599 1.340 1.00 1.17 H new ATOM 0 HG12 ILE A 163 -17.064 -0.712 0.982 1.00 1.36 H new ATOM 0 HG13 ILE A 163 -17.748 -1.765 2.205 1.00 1.36 H new ATOM 0 HG21 ILE A 163 -15.923 -1.641 -0.794 1.00 1.62 H new ATOM 0 HG22 ILE A 163 -15.769 -3.411 -0.881 1.00 1.62 H new ATOM 0 HG23 ILE A 163 -17.368 -2.668 -0.643 1.00 1.62 H new ATOM 0 HD11 ILE A 163 -16.461 0.074 3.252 1.00 1.09 H new ATOM 0 HD12 ILE A 163 -15.699 -1.496 3.602 1.00 1.09 H new ATOM 0 HD13 ILE A 163 -15.004 -0.427 2.361 1.00 1.09 H new ATOM 2598 N ILE A 164 -14.585 -5.286 1.321 1.00 0.87 N ATOM 2599 CA ILE A 164 -13.788 -6.349 0.739 1.00 1.08 C ATOM 2600 C ILE A 164 -14.286 -7.698 1.244 1.00 0.98 C ATOM 2601 O ILE A 164 -14.571 -8.559 0.419 1.00 0.99 O ATOM 2602 CB ILE A 164 -12.298 -6.095 1.001 1.00 1.51 C ATOM 2603 CG1 ILE A 164 -11.748 -5.029 0.034 1.00 1.85 C ATOM 2604 CG2 ILE A 164 -11.423 -7.340 0.809 1.00 1.80 C ATOM 2605 CD1 ILE A 164 -12.604 -3.799 -0.287 1.00 1.73 C ATOM 0 H ILE A 164 -14.062 -4.647 1.920 1.00 0.87 H new ATOM 0 HA ILE A 164 -13.902 -6.365 -0.345 1.00 1.08 H new ATOM 0 HB ILE A 164 -12.249 -5.773 2.041 1.00 1.51 H new ATOM 0 HG12 ILE A 164 -10.802 -4.673 0.442 1.00 1.85 H new ATOM 0 HG13 ILE A 164 -11.522 -5.527 -0.909 1.00 1.85 H new ATOM 0 HG21 ILE A 164 -10.382 -7.088 1.011 1.00 1.80 H new ATOM 0 HG22 ILE A 164 -11.747 -8.122 1.496 1.00 1.80 H new ATOM 0 HG23 ILE A 164 -11.518 -7.697 -0.217 1.00 1.80 H new ATOM 0 HD11 ILE A 164 -12.067 -3.153 -0.982 1.00 1.73 H new ATOM 0 HD12 ILE A 164 -13.543 -4.117 -0.740 1.00 1.73 H new ATOM 0 HD13 ILE A 164 -12.812 -3.250 0.632 1.00 1.73 H new ATOM 2617 N SER A 165 -14.408 -7.896 2.561 1.00 1.10 N ATOM 2618 CA SER A 165 -14.875 -9.162 3.119 1.00 1.31 C ATOM 2619 C SER A 165 -16.186 -9.572 2.449 1.00 1.16 C ATOM 2620 O SER A 165 -16.345 -10.727 2.051 1.00 1.28 O ATOM 2621 CB SER A 165 -15.042 -9.093 4.646 1.00 1.71 C ATOM 2622 OG SER A 165 -16.186 -8.362 5.021 1.00 3.04 O ATOM 0 H SER A 165 -14.187 -7.188 3.261 1.00 1.10 H new ATOM 0 HA SER A 165 -14.116 -9.918 2.916 1.00 1.31 H new ATOM 0 HB2 SER A 165 -15.110 -10.104 5.049 1.00 1.71 H new ATOM 0 HB3 SER A 165 -14.158 -8.633 5.087 1.00 1.71 H new ATOM 0 HG SER A 165 -16.224 -7.528 4.508 1.00 3.04 H new ATOM 2628 N ASP A 166 -17.101 -8.608 2.297 1.00 1.07 N ATOM 2629 CA ASP A 166 -18.415 -8.847 1.730 1.00 1.27 C ATOM 2630 C ASP A 166 -18.274 -9.370 0.304 1.00 1.17 C ATOM 2631 O ASP A 166 -18.634 -10.513 0.021 1.00 1.32 O ATOM 2632 CB ASP A 166 -19.255 -7.570 1.787 1.00 1.42 C ATOM 2633 CG ASP A 166 -20.592 -7.813 1.102 1.00 1.77 C ATOM 2634 OD1 ASP A 166 -21.472 -8.404 1.763 1.00 2.11 O ATOM 2635 OD2 ASP A 166 -20.692 -7.448 -0.089 1.00 2.80 O ATOM 0 H ASP A 166 -16.941 -7.638 2.568 1.00 1.07 H new ATOM 0 HA ASP A 166 -18.934 -9.606 2.316 1.00 1.27 H new ATOM 0 HB2 ASP A 166 -19.414 -7.272 2.823 1.00 1.42 H new ATOM 0 HB3 ASP A 166 -18.727 -6.752 1.298 1.00 1.42 H new ATOM 2640 N VAL A 167 -17.689 -8.563 -0.585 1.00 1.05 N ATOM 2641 CA VAL A 167 -17.543 -8.925 -1.989 1.00 1.20 C ATOM 2642 C VAL A 167 -16.805 -10.262 -2.108 1.00 1.11 C ATOM 2643 O VAL A 167 -17.216 -11.161 -2.849 1.00 1.33 O ATOM 2644 CB VAL A 167 -16.825 -7.786 -2.733 1.00 1.35 C ATOM 2645 CG1 VAL A 167 -16.476 -8.181 -4.174 1.00 1.69 C ATOM 2646 CG2 VAL A 167 -17.714 -6.534 -2.776 1.00 1.56 C ATOM 0 H VAL A 167 -17.307 -7.647 -0.350 1.00 1.05 H new ATOM 0 HA VAL A 167 -18.521 -9.059 -2.452 1.00 1.20 H new ATOM 0 HB VAL A 167 -15.904 -7.580 -2.188 1.00 1.35 H new ATOM 0 HG11 VAL A 167 -15.970 -7.351 -4.667 1.00 1.69 H new ATOM 0 HG12 VAL A 167 -15.820 -9.051 -4.164 1.00 1.69 H new ATOM 0 HG13 VAL A 167 -17.390 -8.422 -4.717 1.00 1.69 H new ATOM 0 HG21 VAL A 167 -17.193 -5.736 -3.305 1.00 1.56 H new ATOM 0 HG22 VAL A 167 -18.645 -6.766 -3.294 1.00 1.56 H new ATOM 0 HG23 VAL A 167 -17.936 -6.210 -1.759 1.00 1.56 H new ATOM 2656 N LYS A 168 -15.704 -10.392 -1.367 1.00 0.93 N ATOM 2657 CA LYS A 168 -14.835 -11.551 -1.380 1.00 1.00 C ATOM 2658 C LYS A 168 -15.585 -12.818 -0.992 1.00 1.03 C ATOM 2659 O LYS A 168 -15.450 -13.854 -1.647 1.00 1.08 O ATOM 2660 CB LYS A 168 -13.665 -11.305 -0.422 1.00 1.24 C ATOM 2661 CG LYS A 168 -12.686 -10.278 -1.004 1.00 1.73 C ATOM 2662 CD LYS A 168 -11.783 -10.935 -2.048 1.00 2.31 C ATOM 2663 CE LYS A 168 -11.289 -9.966 -3.121 1.00 2.61 C ATOM 2664 NZ LYS A 168 -10.578 -10.697 -4.196 1.00 3.98 N ATOM 0 H LYS A 168 -15.390 -9.666 -0.723 1.00 0.93 H new ATOM 0 HA LYS A 168 -14.460 -11.697 -2.393 1.00 1.00 H new ATOM 0 HB2 LYS A 168 -14.043 -10.950 0.536 1.00 1.24 H new ATOM 0 HB3 LYS A 168 -13.143 -12.243 -0.231 1.00 1.24 H new ATOM 0 HG2 LYS A 168 -13.239 -9.456 -1.458 1.00 1.73 H new ATOM 0 HG3 LYS A 168 -12.079 -9.852 -0.205 1.00 1.73 H new ATOM 0 HD2 LYS A 168 -10.923 -11.378 -1.546 1.00 2.31 H new ATOM 0 HD3 LYS A 168 -12.327 -11.749 -2.527 1.00 2.31 H new ATOM 0 HE2 LYS A 168 -12.133 -9.420 -3.542 1.00 2.61 H new ATOM 0 HE3 LYS A 168 -10.623 -9.228 -2.674 1.00 2.61 H new ATOM 0 HZ1 LYS A 168 -9.668 -10.232 -4.388 1.00 3.98 H new ATOM 0 HZ2 LYS A 168 -10.409 -11.678 -3.896 1.00 3.98 H new ATOM 0 HZ3 LYS A 168 -11.157 -10.694 -5.060 1.00 3.98 H new ATOM 2678 N SER A 169 -16.344 -12.745 0.099 1.00 1.17 N ATOM 2679 CA SER A 169 -17.126 -13.867 0.576 1.00 1.48 C ATOM 2680 C SER A 169 -18.268 -14.155 -0.399 1.00 1.69 C ATOM 2681 O SER A 169 -18.521 -15.313 -0.722 1.00 1.97 O ATOM 2682 CB SER A 169 -17.630 -13.595 1.999 1.00 1.81 C ATOM 2683 OG SER A 169 -17.932 -14.823 2.632 1.00 2.27 O ATOM 0 H SER A 169 -16.430 -11.905 0.671 1.00 1.17 H new ATOM 0 HA SER A 169 -16.501 -14.759 0.622 1.00 1.48 H new ATOM 0 HB2 SER A 169 -16.873 -13.056 2.568 1.00 1.81 H new ATOM 0 HB3 SER A 169 -18.516 -12.961 1.968 1.00 1.81 H new ATOM 0 HG SER A 169 -18.253 -14.652 3.542 1.00 2.27 H new ATOM 2689 N ALA A 170 -18.930 -13.112 -0.903 1.00 1.69 N ATOM 2690 CA ALA A 170 -20.150 -13.250 -1.685 1.00 2.16 C ATOM 2691 C ALA A 170 -19.825 -13.925 -3.010 1.00 2.24 C ATOM 2692 O ALA A 170 -20.471 -14.890 -3.408 1.00 2.60 O ATOM 2693 CB ALA A 170 -20.786 -11.874 -1.905 1.00 2.30 C ATOM 0 H ALA A 170 -18.630 -12.145 -0.777 1.00 1.69 H new ATOM 0 HA ALA A 170 -20.868 -13.870 -1.147 1.00 2.16 H new ATOM 0 HB1 ALA A 170 -21.699 -11.984 -2.491 1.00 2.30 H new ATOM 0 HB2 ALA A 170 -21.026 -11.426 -0.941 1.00 2.30 H new ATOM 0 HB3 ALA A 170 -20.087 -11.231 -2.440 1.00 2.30 H new ATOM 2699 N SER A 171 -18.794 -13.414 -3.684 1.00 2.02 N ATOM 2700 CA SER A 171 -18.273 -13.999 -4.906 1.00 2.23 C ATOM 2701 C SER A 171 -17.497 -15.307 -4.639 1.00 1.93 C ATOM 2702 O SER A 171 -17.149 -16.024 -5.573 1.00 1.89 O ATOM 2703 CB SER A 171 -17.503 -12.905 -5.657 1.00 2.51 C ATOM 2704 OG SER A 171 -17.217 -13.296 -6.985 1.00 2.97 O ATOM 0 H SER A 171 -18.297 -12.574 -3.389 1.00 2.02 H new ATOM 0 HA SER A 171 -19.077 -14.334 -5.561 1.00 2.23 H new ATOM 0 HB2 SER A 171 -18.088 -11.986 -5.665 1.00 2.51 H new ATOM 0 HB3 SER A 171 -16.573 -12.686 -5.132 1.00 2.51 H new ATOM 0 HG SER A 171 -17.126 -14.271 -7.027 1.00 2.97 H new ATOM 2710 N THR A 172 -17.226 -15.638 -3.369 1.00 2.09 N ATOM 2711 CA THR A 172 -16.610 -16.868 -2.869 1.00 2.11 C ATOM 2712 C THR A 172 -15.126 -17.009 -3.219 1.00 1.54 C ATOM 2713 O THR A 172 -14.498 -18.012 -2.879 1.00 1.68 O ATOM 2714 CB THR A 172 -17.433 -18.120 -3.222 1.00 3.53 C ATOM 2715 OG1 THR A 172 -17.281 -18.524 -4.567 1.00 3.58 O ATOM 2716 CG2 THR A 172 -18.925 -17.957 -2.918 1.00 5.61 C ATOM 0 H THR A 172 -17.451 -14.999 -2.606 1.00 2.09 H new ATOM 0 HA THR A 172 -16.629 -16.780 -1.783 1.00 2.11 H new ATOM 0 HB THR A 172 -17.025 -18.899 -2.578 1.00 3.53 H new ATOM 0 HG1 THR A 172 -17.211 -17.732 -5.140 1.00 3.58 H new ATOM 0 HG21 THR A 172 -19.453 -18.872 -3.188 1.00 5.61 H new ATOM 0 HG22 THR A 172 -19.060 -17.760 -1.855 1.00 5.61 H new ATOM 0 HG23 THR A 172 -19.325 -17.123 -3.495 1.00 5.61 H new